Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 3:15 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: ./BaSe2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 36 29 8 1677 1173 178 Max 37 30 9 1688 1188 183 Sum 1317 1055 295 60515 42425 6487 bravais-lattice index = 14 lattice parameter (alat) = 10.3818 a.u. unit-cell volume = 1340.0837 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.381780 celldm(2)= 1.000000 celldm(3)= 1.699188 celldm(4)= 0.426179 celldm(5)= 0.426179 celldm(6)= 0.597522 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.597522 0.801852 0.000000 ) a(3) = ( 0.724158 0.363480 1.493558 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.745178 -0.303504 ) b(2) = ( 0.000000 1.247113 -0.303504 ) b(3) = ( 0.000000 0.000000 0.669542 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Se 6.00 78.96000 Se( 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= 305 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0135135 0.0067829 -0.0082028), wk = 0.0032787 k( 3) = ( 0.0270270 0.0135658 -0.0164056), wk = 0.0032787 k( 4) = ( 0.0405405 0.0203487 -0.0246084), wk = 0.0032787 k( 5) = ( 0.0540540 0.0271316 -0.0328112), wk = 0.0032787 k( 6) = ( 0.0675676 0.0339145 -0.0410140), wk = 0.0032787 k( 7) = ( 0.0810811 0.0406974 -0.0492169), wk = 0.0032787 k( 8) = ( 0.0945946 0.0474803 -0.0574197), wk = 0.0032787 k( 9) = ( 0.1081081 0.0542632 -0.0656225), wk = 0.0032787 k( 10) = ( 0.1216216 0.0610461 -0.0738253), wk = 0.0032787 k( 11) = ( 0.1351351 0.0678290 -0.0820281), wk = 0.0032787 k( 12) = ( 0.1486486 0.0746119 -0.0902309), wk = 0.0032787 k( 13) = ( 0.1621622 0.0813948 -0.0984337), wk = 0.0032787 k( 14) = ( 0.1756757 0.0881777 -0.1066365), wk = 0.0032787 k( 15) = ( 0.1891892 0.0949606 -0.1148393), wk = 0.0032787 k( 16) = ( 0.2027027 0.1017435 -0.1230421), wk = 0.0032787 k( 17) = ( 0.2162162 0.1085265 -0.1312449), wk = 0.0032787 k( 18) = ( 0.2297297 0.1153094 -0.1394477), wk = 0.0032787 k( 19) = ( 0.2432432 0.1220923 -0.1476506), wk = 0.0032787 k( 20) = ( 0.2567568 0.1288752 -0.1558534), wk = 0.0032787 k( 21) = ( 0.2702703 0.1356581 -0.1640562), wk = 0.0032787 k( 22) = ( 0.2837838 0.1424410 -0.1722590), wk = 0.0032787 k( 23) = ( 0.2972973 0.1492239 -0.1804618), wk = 0.0032787 k( 24) = ( 0.3108108 0.1560068 -0.1886646), wk = 0.0032787 k( 25) = ( 0.3243243 0.1627897 -0.1968674), wk = 0.0032787 k( 26) = ( 0.3378378 0.1695726 -0.2050702), wk = 0.0032787 k( 27) = ( 0.3513514 0.1763555 -0.2132730), wk = 0.0032787 k( 28) = ( 0.3648649 0.1831384 -0.2214758), wk = 0.0032787 k( 29) = ( 0.3783784 0.1899213 -0.2296786), wk = 0.0032787 k( 30) = ( 0.3918919 0.1967042 -0.2378815), wk = 0.0032787 k( 31) = ( 0.4054054 0.2034871 -0.2460843), wk = 0.0032787 k( 32) = ( 0.4189189 0.2102700 -0.2542871), wk = 0.0032787 k( 33) = ( 0.4324324 0.2170529 -0.2624899), wk = 0.0032787 k( 34) = ( 0.4459459 0.2238358 -0.2706927), wk = 0.0032787 k( 35) = ( 0.4594595 0.2306187 -0.2788955), wk = 0.0032787 k( 36) = ( 0.4729730 0.2374016 -0.2870983), wk = 0.0032787 k( 37) = ( 0.4864865 0.2441845 -0.2953011), wk = 0.0032787 k( 38) = ( 0.5000000 0.2509674 -0.3035039), wk = 0.0032787 k( 39) = ( 0.5000000 0.2509674 -0.3035039), wk = 0.0032787 k( 40) = ( 0.5050533 0.2535039 -0.2930815), wk = 0.0032787 k( 41) = ( 0.5101067 0.2560403 -0.2826592), wk = 0.0032787 k( 42) = ( 0.5151600 0.2585767 -0.2722368), wk = 0.0032787 k( 43) = ( 0.5151600 0.2585767 -0.2722368), wk = 0.0032787 k( 44) = ( 0.5143178 0.2581540 -0.2553755), wk = 0.0032787 k( 45) = ( 0.5134756 0.2577313 -0.2385141), wk = 0.0032787 k( 46) = ( 0.5126333 0.2573085 -0.2216528), wk = 0.0032787 k( 47) = ( 0.5117911 0.2568858 -0.2047915), wk = 0.0032787 k( 48) = ( 0.5109489 0.2564630 -0.1879301), wk = 0.0032787 k( 49) = ( 0.5101067 0.2560403 -0.1710688), wk = 0.0032787 k( 50) = ( 0.5092644 0.2556176 -0.1542075), wk = 0.0032787 k( 51) = ( 0.5084222 0.2551948 -0.1373462), wk = 0.0032787 k( 52) = ( 0.5075800 0.2547721 -0.1204848), wk = 0.0032787 k( 53) = ( 0.5067378 0.2543493 -0.1036235), wk = 0.0032787 k( 54) = ( 0.5058956 0.2539266 -0.0867622), wk = 0.0032787 k( 55) = ( 0.5050533 0.2535039 -0.0699008), wk = 0.0032787 k( 56) = ( 0.5042111 0.2530811 -0.0530395), wk = 0.0032787 k( 57) = ( 0.5033689 0.2526584 -0.0361782), wk = 0.0032787 k( 58) = ( 0.5025267 0.2522356 -0.0193169), wk = 0.0032787 k( 59) = ( 0.5016844 0.2518129 -0.0024555), wk = 0.0032787 k( 60) = ( 0.5008422 0.2513902 0.0144058), wk = 0.0032787 k( 61) = ( 0.5000000 0.2509674 0.0312671), wk = 0.0032787 k( 62) = ( 0.5000000 0.2509674 0.0312671), wk = 0.0032787 k( 63) = ( 0.5077545 0.2355182 0.0312671), wk = 0.0032787 k( 64) = ( 0.5155090 0.2200689 0.0312671), wk = 0.0032787 k( 65) = ( 0.5232635 0.2046197 0.0312671), wk = 0.0032787 k( 66) = ( 0.5310180 0.1891705 0.0312671), wk = 0.0032787 k( 67) = ( 0.5387726 0.1737212 0.0312671), wk = 0.0032787 k( 68) = ( 0.5465271 0.1582720 0.0312671), wk = 0.0032787 k( 69) = ( 0.5542816 0.1428228 0.0312671), wk = 0.0032787 k( 70) = ( 0.5620361 0.1273735 0.0312671), wk = 0.0032787 k( 71) = ( 0.5697906 0.1119243 0.0312671), wk = 0.0032787 k( 72) = ( 0.5775451 0.0964750 0.0312671), wk = 0.0032787 k( 73) = ( 0.5852996 0.0810258 0.0312671), wk = 0.0032787 k( 74) = ( 0.5930541 0.0655766 0.0312671), wk = 0.0032787 k( 75) = ( 0.6008086 0.0501273 0.0312671), wk = 0.0032787 k( 76) = ( 0.6085632 0.0346781 0.0312671), wk = 0.0032787 k( 77) = ( 0.6163177 0.0192288 0.0312671), wk = 0.0032787 k( 78) = ( 0.6240722 0.0037796 0.0312671), wk = 0.0032787 k( 79) = ( 0.6318267 -0.0116696 0.0312671), wk = 0.0032787 k( 80) = ( 0.6395812 -0.0271189 0.0312671), wk = 0.0032787 k( 81) = ( 0.6473357 -0.0425681 0.0312671), wk = 0.0032787 k( 82) = ( 0.6550902 -0.0580173 0.0312671), wk = 0.0032787 k( 83) = ( 0.6628447 -0.0734666 0.0312671), wk = 0.0032787 k( 84) = ( 0.6705992 -0.0889158 0.0312671), wk = 0.0032787 k( 85) = ( 0.6783537 -0.1043651 0.0312671), wk = 0.0032787 k( 86) = ( 0.6861082 -0.1198143 0.0312671), wk = 0.0032787 k( 87) = ( 0.6938628 -0.1352635 0.0312671), wk = 0.0032787 k( 88) = ( 0.7016173 -0.1507128 0.0312671), wk = 0.0032787 k( 89) = ( 0.7093718 -0.1661620 0.0312671), wk = 0.0032787 k( 90) = ( 0.2906282 -0.5790158 0.3347711), wk = 0.0032787 k( 91) = ( 0.2829801 -0.5637786 0.3347711), wk = 0.0032787 k( 92) = ( 0.2753320 -0.5485413 0.3347711), wk = 0.0032787 k( 93) = ( 0.2676839 -0.5333041 0.3347711), wk = 0.0032787 k( 94) = ( 0.2600358 -0.5180668 0.3347711), wk = 0.0032787 k( 95) = ( 0.2523877 -0.5028295 0.3347711), wk = 0.0032787 k( 96) = ( 0.2447396 -0.4875923 0.3347711), wk = 0.0032787 k( 97) = ( 0.2370914 -0.4723550 0.3347711), wk = 0.0032787 k( 98) = ( 0.2294433 -0.4571178 0.3347711), wk = 0.0032787 k( 99) = ( 0.2217952 -0.4418805 0.3347711), wk = 0.0032787 k( 100) = ( 0.2141471 -0.4266433 0.3347711), wk = 0.0032787 k( 101) = ( 0.2064990 -0.4114060 0.3347711), wk = 0.0032787 k( 102) = ( 0.1988509 -0.3961687 0.3347711), wk = 0.0032787 k( 103) = ( 0.1912028 -0.3809315 0.3347711), wk = 0.0032787 k( 104) = ( 0.1835547 -0.3656942 0.3347711), wk = 0.0032787 k( 105) = ( 0.1759065 -0.3504570 0.3347711), wk = 0.0032787 k( 106) = ( 0.1682584 -0.3352197 0.3347711), wk = 0.0032787 k( 107) = ( 0.1606103 -0.3199824 0.3347711), wk = 0.0032787 k( 108) = ( 0.1529622 -0.3047452 0.3347711), wk = 0.0032787 k( 109) = ( 0.1453141 -0.2895079 0.3347711), wk = 0.0032787 k( 110) = ( 0.1376660 -0.2742707 0.3347711), wk = 0.0032787 k( 111) = ( 0.1300179 -0.2590334 0.3347711), wk = 0.0032787 k( 112) = ( 0.1223698 -0.2437962 0.3347711), wk = 0.0032787 k( 113) = ( 0.1147217 -0.2285589 0.3347711), wk = 0.0032787 k( 114) = ( 0.1070736 -0.2133216 0.3347711), wk = 0.0032787 k( 115) = ( 0.0994254 -0.1980844 0.3347711), wk = 0.0032787 k( 116) = ( 0.0917773 -0.1828471 0.3347711), wk = 0.0032787 k( 117) = ( 0.0841292 -0.1676098 0.3347711), wk = 0.0032787 k( 118) = ( 0.0764811 -0.1523726 0.3347711), wk = 0.0032787 k( 119) = ( 0.0688330 -0.1371353 0.3347711), wk = 0.0032787 k( 120) = ( 0.0611849 -0.1218981 0.3347711), wk = 0.0032787 k( 121) = ( 0.0535368 -0.1066608 0.3347711), wk = 0.0032787 k( 122) = ( 0.0458887 -0.0914236 0.3347711), wk = 0.0032787 k( 123) = ( 0.0382406 -0.0761863 0.3347711), wk = 0.0032787 k( 124) = ( 0.0305924 -0.0609490 0.3347711), wk = 0.0032787 k( 125) = ( 0.0229443 -0.0457118 0.3347711), wk = 0.0032787 k( 126) = ( 0.0152962 -0.0304745 0.3347711), wk = 0.0032787 k( 127) = ( 0.0076481 -0.0152373 0.3347711), wk = 0.0032787 k( 128) = ( 0.0000000 0.0000000 0.3347711), wk = 0.0032787 k( 129) = ( 0.0000000 0.0000000 0.3347711), wk = 0.0032787 k( 130) = ( 0.0151512 0.0076049 0.3347711), wk = 0.0032787 k( 131) = ( 0.0303025 0.0152099 0.3347711), wk = 0.0032787 k( 132) = ( 0.0454538 0.0228148 0.3347711), wk = 0.0032787 k( 133) = ( 0.0606050 0.0304198 0.3347711), wk = 0.0032787 k( 134) = ( 0.0757562 0.0380247 0.3347711), wk = 0.0032787 k( 135) = ( 0.0909075 0.0456296 0.3347711), wk = 0.0032787 k( 136) = ( 0.1060587 0.0532346 0.3347711), wk = 0.0032787 k( 137) = ( 0.1212100 0.0608395 0.3347711), wk = 0.0032787 k( 138) = ( 0.1363612 0.0684445 0.3347711), wk = 0.0032787 k( 139) = ( 0.1515125 0.0760494 0.3347711), wk = 0.0032787 k( 140) = ( 0.1666637 0.0836543 0.3347711), wk = 0.0032787 k( 141) = ( 0.1818150 0.0912593 0.3347711), wk = 0.0032787 k( 142) = ( 0.1969663 0.0988642 0.3347711), wk = 0.0032787 k( 143) = ( 0.2121175 0.1064692 0.3347711), wk = 0.0032787 k( 144) = ( 0.2272687 0.1140741 0.3347711), wk = 0.0032787 k( 145) = ( 0.2424200 0.1216790 0.3347711), wk = 0.0032787 k( 146) = ( 0.2575712 0.1292840 0.3347711), wk = 0.0032787 k( 147) = ( 0.2727225 0.1368889 0.3347711), wk = 0.0032787 k( 148) = ( 0.2878737 0.1444939 0.3347711), wk = 0.0032787 k( 149) = ( 0.3030250 0.1520988 0.3347711), wk = 0.0032787 k( 150) = ( 0.3181762 0.1597037 0.3347711), wk = 0.0032787 k( 151) = ( 0.3333275 0.1673087 0.3347711), wk = 0.0032787 k( 152) = ( 0.3484788 0.1749136 0.3347711), wk = 0.0032787 k( 153) = ( 0.3636300 0.1825186 0.3347711), wk = 0.0032787 k( 154) = ( 0.3787813 0.1901235 0.3347711), wk = 0.0032787 k( 155) = ( 0.3939325 0.1977284 0.3347711), wk = 0.0032787 k( 156) = ( 0.4090838 0.2053334 0.3347711), wk = 0.0032787 k( 157) = ( 0.4242350 0.2129383 0.3347711), wk = 0.0032787 k( 158) = ( 0.4393862 0.2205433 0.3347711), wk = 0.0032787 k( 159) = ( 0.4545375 0.2281482 0.3347711), wk = 0.0032787 k( 160) = ( 0.4696887 0.2357531 0.3347711), wk = 0.0032787 k( 161) = ( 0.4848400 0.2433581 0.3347711), wk = 0.0032787 k( 162) = ( 0.5000000 0.2509674 -0.3035039), wk = 0.0032787 k( 163) = ( 0.5076581 0.2357102 -0.3035039), wk = 0.0032787 k( 164) = ( 0.5153162 0.2204531 -0.3035039), wk = 0.0032787 k( 165) = ( 0.5229743 0.2051959 -0.3035039), wk = 0.0032787 k( 166) = ( 0.5306324 0.1899387 -0.3035039), wk = 0.0032787 k( 167) = ( 0.5382905 0.1746816 -0.3035039), wk = 0.0032787 k( 168) = ( 0.5459486 0.1594244 -0.3035039), wk = 0.0032787 k( 169) = ( 0.5536067 0.1441672 -0.3035039), wk = 0.0032787 k( 170) = ( 0.5612648 0.1289101 -0.3035039), wk = 0.0032787 k( 171) = ( 0.5689230 0.1136529 -0.3035039), wk = 0.0032787 k( 172) = ( 0.5765811 0.0983957 -0.3035039), wk = 0.0032787 k( 173) = ( 0.5842392 0.0831385 -0.3035039), wk = 0.0032787 k( 174) = ( 0.5918973 0.0678814 -0.3035039), wk = 0.0032787 k( 175) = ( 0.5995554 0.0526242 -0.3035039), wk = 0.0032787 k( 176) = ( 0.6072135 0.0373670 -0.3035039), wk = 0.0032787 k( 177) = ( 0.6148716 0.0221099 -0.3035039), wk = 0.0032787 k( 178) = ( 0.6225297 0.0068527 -0.3035039), wk = 0.0032787 k( 179) = ( 0.6301878 -0.0084045 -0.3035039), wk = 0.0032787 k( 180) = ( 0.6378459 -0.0236617 -0.3035039), wk = 0.0032787 k( 181) = ( 0.6455040 -0.0389188 -0.3035039), wk = 0.0032787 k( 182) = ( 0.6531621 -0.0541760 -0.3035039), wk = 0.0032787 k( 183) = ( 0.6608202 -0.0694332 -0.3035039), wk = 0.0032787 k( 184) = ( 0.6684783 -0.0846903 -0.3035039), wk = 0.0032787 k( 185) = ( 0.3315217 -0.6604875 -0.0000000), wk = 0.0032787 k( 186) = ( 0.3238119 -0.6451273 0.0000000), wk = 0.0032787 k( 187) = ( 0.3161021 -0.6297671 -0.0000000), wk = 0.0032787 k( 188) = ( 0.3083923 -0.6144070 -0.0000000), wk = 0.0032787 k( 189) = ( 0.3006824 -0.5990468 0.0000000), wk = 0.0032787 k( 190) = ( 0.2929727 -0.5836866 0.0000000), wk = 0.0032787 k( 191) = ( 0.2852628 -0.5683265 -0.0000000), wk = 0.0032787 k( 192) = ( 0.2775530 -0.5529663 0.0000000), wk = 0.0032787 k( 193) = ( 0.2698432 -0.5376061 0.0000000), wk = 0.0032787 k( 194) = ( 0.2621334 -0.5222459 -0.0000000), wk = 0.0032787 k( 195) = ( 0.2544236 -0.5068857 0.0000000), wk = 0.0032787 k( 196) = ( 0.2467138 -0.4915256 -0.0000000), wk = 0.0032787 k( 197) = ( 0.2390040 -0.4761654 -0.0000000), wk = 0.0032787 k( 198) = ( 0.2312942 -0.4608052 0.0000000), wk = 0.0032787 k( 199) = ( 0.2235844 -0.4454451 -0.0000000), wk = 0.0032787 k( 200) = ( 0.2158746 -0.4300849 0.0000000), wk = 0.0032787 k( 201) = ( 0.2081648 -0.4147247 0.0000000), wk = 0.0032787 k( 202) = ( 0.2004550 -0.3993645 -0.0000000), wk = 0.0032787 k( 203) = ( 0.1927452 -0.3840044 -0.0000000), wk = 0.0032787 k( 204) = ( 0.1850353 -0.3686442 -0.0000000), wk = 0.0032787 k( 205) = ( 0.1773255 -0.3532840 -0.0000000), wk = 0.0032787 k( 206) = ( 0.1696157 -0.3379238 -0.0000000), wk = 0.0032787 k( 207) = ( 0.1619059 -0.3225637 -0.0000000), wk = 0.0032787 k( 208) = ( 0.1541961 -0.3072035 -0.0000000), wk = 0.0032787 k( 209) = ( 0.1464863 -0.2918433 -0.0000000), wk = 0.0032787 k( 210) = ( 0.1387765 -0.2764831 -0.0000000), wk = 0.0032787 k( 211) = ( 0.1310667 -0.2611230 -0.0000000), wk = 0.0032787 k( 212) = ( 0.1233569 -0.2457628 0.0000000), wk = 0.0032787 k( 213) = ( 0.1156471 -0.2304026 -0.0000000), wk = 0.0032787 k( 214) = ( 0.1079373 -0.2150424 0.0000000), wk = 0.0032787 k( 215) = ( 0.1002275 -0.1996823 0.0000000), wk = 0.0032787 k( 216) = ( 0.0925177 -0.1843221 -0.0000000), wk = 0.0032787 k( 217) = ( 0.0848079 -0.1689619 -0.0000000), wk = 0.0032787 k( 218) = ( 0.0770981 -0.1536017 0.0000000), wk = 0.0032787 k( 219) = ( 0.0693883 -0.1382416 -0.0000000), wk = 0.0032787 k( 220) = ( 0.0616785 -0.1228814 0.0000000), wk = 0.0032787 k( 221) = ( 0.0539686 -0.1075212 -0.0000000), wk = 0.0032787 k( 222) = ( 0.0462588 -0.0921610 -0.0000000), wk = 0.0032787 k( 223) = ( 0.0385490 -0.0768009 0.0000000), wk = 0.0032787 k( 224) = ( 0.0308392 -0.0614407 -0.0000000), wk = 0.0032787 k( 225) = ( 0.0231294 -0.0460805 -0.0000000), wk = 0.0032787 k( 226) = ( 0.0154196 -0.0307203 -0.0000000), wk = 0.0032787 k( 227) = ( 0.0077098 -0.0153602 -0.0000000), wk = 0.0032787 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 230) = ( 0.0135135 -0.0100700 -0.0041014), wk = 0.0032787 k( 231) = ( 0.0270270 -0.0201399 -0.0082028), wk = 0.0032787 k( 232) = ( 0.0405405 -0.0302099 -0.0123042), wk = 0.0032787 k( 233) = ( 0.0540540 -0.0402799 -0.0164056), wk = 0.0032787 k( 234) = ( 0.0675676 -0.0503499 -0.0205070), wk = 0.0032787 k( 235) = ( 0.0810811 -0.0604198 -0.0246084), wk = 0.0032787 k( 236) = ( 0.0945946 -0.0704898 -0.0287098), wk = 0.0032787 k( 237) = ( 0.1081081 -0.0805598 -0.0328112), wk = 0.0032787 k( 238) = ( 0.1216216 -0.0906297 -0.0369126), wk = 0.0032787 k( 239) = ( 0.1351351 -0.1006997 -0.0410140), wk = 0.0032787 k( 240) = ( 0.1486486 -0.1107697 -0.0451154), wk = 0.0032787 k( 241) = ( 0.1621622 -0.1208396 -0.0492169), wk = 0.0032787 k( 242) = ( 0.1756757 -0.1309096 -0.0533183), wk = 0.0032787 k( 243) = ( 0.1891892 -0.1409796 -0.0574197), wk = 0.0032787 k( 244) = ( 0.2027027 -0.1510496 -0.0615211), wk = 0.0032787 k( 245) = ( 0.2162162 -0.1611195 -0.0656225), wk = 0.0032787 k( 246) = ( 0.2297297 -0.1711895 -0.0697239), wk = 0.0032787 k( 247) = ( 0.2432432 -0.1812595 -0.0738253), wk = 0.0032787 k( 248) = ( 0.2567568 -0.1913295 -0.0779267), wk = 0.0032787 k( 249) = ( 0.2702703 -0.2013994 -0.0820281), wk = 0.0032787 k( 250) = ( 0.2837838 -0.2114694 -0.0861295), wk = 0.0032787 k( 251) = ( 0.2972973 -0.2215394 -0.0902309), wk = 0.0032787 k( 252) = ( 0.3108108 -0.2316093 -0.0943323), wk = 0.0032787 k( 253) = ( 0.3243243 -0.2416793 -0.0984337), wk = 0.0032787 k( 254) = ( 0.3378378 -0.2517493 -0.1025351), wk = 0.0032787 k( 255) = ( 0.3513514 -0.2618192 -0.1066365), wk = 0.0032787 k( 256) = ( 0.3648649 -0.2718892 -0.1107379), wk = 0.0032787 k( 257) = ( 0.3783784 -0.2819592 -0.1148393), wk = 0.0032787 k( 258) = ( 0.3918919 -0.2920292 -0.1189407), wk = 0.0032787 k( 259) = ( 0.4054054 -0.3020991 -0.1230421), wk = 0.0032787 k( 260) = ( 0.4189189 -0.3121691 -0.1271435), wk = 0.0032787 k( 261) = ( 0.4324324 -0.3222391 -0.1312449), wk = 0.0032787 k( 262) = ( 0.4459459 -0.3323090 -0.1353463), wk = 0.0032787 k( 263) = ( 0.4594595 -0.3423790 -0.1394477), wk = 0.0032787 k( 264) = ( 0.4729730 -0.3524490 -0.1435492), wk = 0.0032787 k( 265) = ( 0.4864865 -0.3625190 -0.1476506), wk = 0.0032787 k( 266) = ( 0.5000000 -0.3725889 -0.1517520), wk = 0.0032787 k( 267) = ( 0.5000000 -0.3725889 0.1830191), wk = 0.0032787 k( 268) = ( 0.4868421 -0.3627840 0.1782028), wk = 0.0032787 k( 269) = ( 0.4736842 -0.3529790 0.1733865), wk = 0.0032787 k( 270) = ( 0.4605263 -0.3431740 0.1685702), wk = 0.0032787 k( 271) = ( 0.4473684 -0.3333690 0.1637539), wk = 0.0032787 k( 272) = ( 0.4342105 -0.3235641 0.1589376), wk = 0.0032787 k( 273) = ( 0.4210526 -0.3137591 0.1541213), wk = 0.0032787 k( 274) = ( 0.4078947 -0.3039541 0.1493051), wk = 0.0032787 k( 275) = ( 0.3947368 -0.2941491 0.1444888), wk = 0.0032787 k( 276) = ( 0.3815789 -0.2843442 0.1396725), wk = 0.0032787 k( 277) = ( 0.3684211 -0.2745392 0.1348562), wk = 0.0032787 k( 278) = ( 0.3552632 -0.2647342 0.1300399), wk = 0.0032787 k( 279) = ( 0.3421053 -0.2549293 0.1252236), wk = 0.0032787 k( 280) = ( 0.3289474 -0.2451243 0.1204073), wk = 0.0032787 k( 281) = ( 0.3157895 -0.2353193 0.1155910), wk = 0.0032787 k( 282) = ( 0.3026316 -0.2255143 0.1107747), wk = 0.0032787 k( 283) = ( 0.2894737 -0.2157094 0.1059584), wk = 0.0032787 k( 284) = ( 0.2763158 -0.2059044 0.1011421), wk = 0.0032787 k( 285) = ( 0.2631579 -0.1960994 0.0963258), wk = 0.0032787 k( 286) = ( 0.2500000 -0.1862945 0.0915095), wk = 0.0032787 k( 287) = ( 0.2368421 -0.1764895 0.0866933), wk = 0.0032787 k( 288) = ( 0.2236842 -0.1666845 0.0818770), wk = 0.0032787 k( 289) = ( 0.2105263 -0.1568796 0.0770607), wk = 0.0032787 k( 290) = ( 0.1973684 -0.1470746 0.0722444), wk = 0.0032787 k( 291) = ( 0.1842105 -0.1372696 0.0674281), wk = 0.0032787 k( 292) = ( 0.1710526 -0.1274646 0.0626118), wk = 0.0032787 k( 293) = ( 0.1578947 -0.1176597 0.0577955), wk = 0.0032787 k( 294) = ( 0.1447368 -0.1078547 0.0529792), wk = 0.0032787 k( 295) = ( 0.1315790 -0.0980497 0.0481629), wk = 0.0032787 k( 296) = ( 0.1184210 -0.0882447 0.0433466), wk = 0.0032787 k( 297) = ( 0.1052632 -0.0784398 0.0385303), wk = 0.0032787 k( 298) = ( 0.0921053 -0.0686348 0.0337140), wk = 0.0032787 k( 299) = ( 0.0789474 -0.0588298 0.0288978), wk = 0.0032787 k( 300) = ( 0.0657895 -0.0490249 0.0240815), wk = 0.0032787 k( 301) = ( 0.0526316 -0.0392199 0.0192652), wk = 0.0032787 k( 302) = ( 0.0394737 -0.0294149 0.0144489), wk = 0.0032787 k( 303) = ( 0.0263158 -0.0196099 0.0096326), wk = 0.0032787 k( 304) = ( 0.0131579 -0.0098050 0.0048163), wk = 0.0032787 k( 305) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0032787 k( 3) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0032787 k( 4) = ( 0.0405405 0.0405405 0.0000000), wk = 0.0032787 k( 5) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0032787 k( 6) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0032787 k( 7) = ( 0.0810811 0.0810811 0.0000000), wk = 0.0032787 k( 8) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0032787 k( 9) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0032787 k( 10) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0032787 k( 11) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0032787 k( 12) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0032787 k( 13) = ( 0.1621622 0.1621622 0.0000000), wk = 0.0032787 k( 14) = ( 0.1756757 0.1756757 0.0000000), wk = 0.0032787 k( 15) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0032787 k( 16) = ( 0.2027027 0.2027027 0.0000000), wk = 0.0032787 k( 17) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0032787 k( 18) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0032787 k( 19) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0032787 k( 20) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0032787 k( 21) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0032787 k( 22) = ( 0.2837838 0.2837838 0.0000000), wk = 0.0032787 k( 23) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0032787 k( 24) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0032787 k( 25) = ( 0.3243243 0.3243243 0.0000000), wk = 0.0032787 k( 26) = ( 0.3378378 0.3378378 0.0000000), wk = 0.0032787 k( 27) = ( 0.3513514 0.3513514 -0.0000000), wk = 0.0032787 k( 28) = ( 0.3648649 0.3648649 0.0000000), wk = 0.0032787 k( 29) = ( 0.3783784 0.3783784 0.0000000), wk = 0.0032787 k( 30) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0032787 k( 31) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0032787 k( 32) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0032787 k( 33) = ( 0.4324324 0.4324324 0.0000000), wk = 0.0032787 k( 34) = ( 0.4459459 0.4459459 0.0000000), wk = 0.0032787 k( 35) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0032787 k( 36) = ( 0.4729730 0.4729730 0.0000000), wk = 0.0032787 k( 37) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0032787 k( 38) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032787 k( 39) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032787 k( 40) = ( 0.5050533 0.5050533 0.0201478), wk = 0.0032787 k( 41) = ( 0.5101067 0.5101067 0.0402956), wk = 0.0032787 k( 42) = ( 0.5151600 0.5151600 0.0604434), wk = 0.0032787 k( 43) = ( 0.5151600 0.5151600 0.0604434), wk = 0.0032787 k( 44) = ( 0.5143178 0.5143178 0.0848632), wk = 0.0032787 k( 45) = ( 0.5134756 0.5134756 0.1092830), wk = 0.0032787 k( 46) = ( 0.5126333 0.5126333 0.1337028), wk = 0.0032787 k( 47) = ( 0.5117911 0.5117911 0.1581226), wk = 0.0032787 k( 48) = ( 0.5109489 0.5109489 0.1825424), wk = 0.0032787 k( 49) = ( 0.5101067 0.5101067 0.2069622), wk = 0.0032787 k( 50) = ( 0.5092644 0.5092644 0.2313821), wk = 0.0032787 k( 51) = ( 0.5084222 0.5084222 0.2558019), wk = 0.0032787 k( 52) = ( 0.5075800 0.5075800 0.2802217), wk = 0.0032787 k( 53) = ( 0.5067378 0.5067378 0.3046415), wk = 0.0032787 k( 54) = ( 0.5058956 0.5058956 0.3290613), wk = 0.0032787 k( 55) = ( 0.5050533 0.5050533 0.3534811), wk = 0.0032787 k( 56) = ( 0.5042111 0.5042111 0.3779009), wk = 0.0032787 k( 57) = ( 0.5033689 0.5033689 0.4023207), wk = 0.0032787 k( 58) = ( 0.5025267 0.5025267 0.4267406), wk = 0.0032787 k( 59) = ( 0.5016844 0.5016844 0.4511604), wk = 0.0032787 k( 60) = ( 0.5008422 0.5008422 0.4755802), wk = 0.0032787 k( 61) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 62) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 63) = ( 0.5077545 0.4922455 0.5000000), wk = 0.0032787 k( 64) = ( 0.5155090 0.4844910 0.5000000), wk = 0.0032787 k( 65) = ( 0.5232635 0.4767365 0.5000000), wk = 0.0032787 k( 66) = ( 0.5310180 0.4689820 0.5000000), wk = 0.0032787 k( 67) = ( 0.5387726 0.4612274 0.5000000), wk = 0.0032787 k( 68) = ( 0.5465271 0.4534729 0.5000000), wk = 0.0032787 k( 69) = ( 0.5542816 0.4457184 0.5000000), wk = 0.0032787 k( 70) = ( 0.5620361 0.4379639 0.5000000), wk = 0.0032787 k( 71) = ( 0.5697906 0.4302094 0.5000000), wk = 0.0032787 k( 72) = ( 0.5775451 0.4224549 0.5000000), wk = 0.0032787 k( 73) = ( 0.5852996 0.4147004 0.5000000), wk = 0.0032787 k( 74) = ( 0.5930541 0.4069459 0.5000000), wk = 0.0032787 k( 75) = ( 0.6008086 0.3991914 0.5000000), wk = 0.0032787 k( 76) = ( 0.6085632 0.3914369 0.5000000), wk = 0.0032787 k( 77) = ( 0.6163177 0.3836823 0.5000000), wk = 0.0032787 k( 78) = ( 0.6240722 0.3759278 0.5000000), wk = 0.0032787 k( 79) = ( 0.6318267 0.3681733 0.5000000), wk = 0.0032787 k( 80) = ( 0.6395812 0.3604188 0.5000000), wk = 0.0032787 k( 81) = ( 0.6473357 0.3526643 0.5000000), wk = 0.0032787 k( 82) = ( 0.6550902 0.3449098 0.5000000), wk = 0.0032787 k( 83) = ( 0.6628447 0.3371553 0.5000000), wk = 0.0032787 k( 84) = ( 0.6705992 0.3294008 0.5000000), wk = 0.0032787 k( 85) = ( 0.6783537 0.3216463 0.5000000), wk = 0.0032787 k( 86) = ( 0.6861082 0.3138918 0.5000000), wk = 0.0032787 k( 87) = ( 0.6938628 0.3061372 0.5000000), wk = 0.0032787 k( 88) = ( 0.7016173 0.2983827 0.5000000), wk = 0.0032787 k( 89) = ( 0.7093718 0.2906282 0.5000000), wk = 0.0032787 k( 90) = ( 0.2906282 -0.2906282 0.5000000), wk = 0.0032787 k( 91) = ( 0.2829801 -0.2829801 0.5000000), wk = 0.0032787 k( 92) = ( 0.2753320 -0.2753320 0.5000000), wk = 0.0032787 k( 93) = ( 0.2676839 -0.2676839 0.5000000), wk = 0.0032787 k( 94) = ( 0.2600358 -0.2600358 0.5000000), wk = 0.0032787 k( 95) = ( 0.2523877 -0.2523877 0.5000000), wk = 0.0032787 k( 96) = ( 0.2447396 -0.2447395 0.5000000), wk = 0.0032787 k( 97) = ( 0.2370914 -0.2370914 0.5000000), wk = 0.0032787 k( 98) = ( 0.2294433 -0.2294433 0.5000000), wk = 0.0032787 k( 99) = ( 0.2217952 -0.2217952 0.5000000), wk = 0.0032787 k( 100) = ( 0.2141471 -0.2141471 0.5000000), wk = 0.0032787 k( 101) = ( 0.2064990 -0.2064990 0.5000000), wk = 0.0032787 k( 102) = ( 0.1988509 -0.1988509 0.5000000), wk = 0.0032787 k( 103) = ( 0.1912028 -0.1912028 0.5000000), wk = 0.0032787 k( 104) = ( 0.1835547 -0.1835547 0.5000000), wk = 0.0032787 k( 105) = ( 0.1759065 -0.1759065 0.5000000), wk = 0.0032787 k( 106) = ( 0.1682584 -0.1682584 0.5000000), wk = 0.0032787 k( 107) = ( 0.1606103 -0.1606103 0.5000000), wk = 0.0032787 k( 108) = ( 0.1529622 -0.1529622 0.5000000), wk = 0.0032787 k( 109) = ( 0.1453141 -0.1453141 0.5000000), wk = 0.0032787 k( 110) = ( 0.1376660 -0.1376660 0.5000000), wk = 0.0032787 k( 111) = ( 0.1300179 -0.1300179 0.5000000), wk = 0.0032787 k( 112) = ( 0.1223698 -0.1223698 0.5000000), wk = 0.0032787 k( 113) = ( 0.1147217 -0.1147217 0.5000000), wk = 0.0032787 k( 114) = ( 0.1070736 -0.1070736 0.5000000), wk = 0.0032787 k( 115) = ( 0.0994254 -0.0994254 0.5000000), wk = 0.0032787 k( 116) = ( 0.0917773 -0.0917773 0.5000000), wk = 0.0032787 k( 117) = ( 0.0841292 -0.0841292 0.5000000), wk = 0.0032787 k( 118) = ( 0.0764811 -0.0764811 0.5000000), wk = 0.0032787 k( 119) = ( 0.0688330 -0.0688330 0.5000000), wk = 0.0032787 k( 120) = ( 0.0611849 -0.0611849 0.5000000), wk = 0.0032787 k( 121) = ( 0.0535368 -0.0535368 0.5000000), wk = 0.0032787 k( 122) = ( 0.0458887 -0.0458887 0.5000000), wk = 0.0032787 k( 123) = ( 0.0382406 -0.0382406 0.5000000), wk = 0.0032787 k( 124) = ( 0.0305924 -0.0305924 0.5000000), wk = 0.0032787 k( 125) = ( 0.0229443 -0.0229443 0.5000000), wk = 0.0032787 k( 126) = ( 0.0152962 -0.0152962 0.5000000), wk = 0.0032787 k( 127) = ( 0.0076481 -0.0076481 0.5000000), wk = 0.0032787 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 130) = ( 0.0151512 0.0151512 0.5137361), wk = 0.0032787 k( 131) = ( 0.0303025 0.0303025 0.5274723), wk = 0.0032787 k( 132) = ( 0.0454538 0.0454537 0.5412084), wk = 0.0032787 k( 133) = ( 0.0606050 0.0606050 0.5549446), wk = 0.0032787 k( 134) = ( 0.0757562 0.0757562 0.5686807), wk = 0.0032787 k( 135) = ( 0.0909075 0.0909075 0.5824169), wk = 0.0032787 k( 136) = ( 0.1060587 0.1060587 0.5961530), wk = 0.0032787 k( 137) = ( 0.1212100 0.1212100 0.6098892), wk = 0.0032787 k( 138) = ( 0.1363612 0.1363612 0.6236253), wk = 0.0032787 k( 139) = ( 0.1515125 0.1515125 0.6373614), wk = 0.0032787 k( 140) = ( 0.1666637 0.1666637 0.6510976), wk = 0.0032787 k( 141) = ( 0.1818150 0.1818150 0.6648337), wk = 0.0032787 k( 142) = ( 0.1969663 0.1969663 0.6785699), wk = 0.0032787 k( 143) = ( 0.2121175 0.2121175 0.6923060), wk = 0.0032787 k( 144) = ( 0.2272687 0.2272687 0.7060422), wk = 0.0032787 k( 145) = ( 0.2424200 0.2424200 0.7197783), wk = 0.0032787 k( 146) = ( 0.2575712 0.2575712 0.7335145), wk = 0.0032787 k( 147) = ( 0.2727225 0.2727225 0.7472506), wk = 0.0032787 k( 148) = ( 0.2878737 0.2878737 0.7609868), wk = 0.0032787 k( 149) = ( 0.3030250 0.3030250 0.7747229), wk = 0.0032787 k( 150) = ( 0.3181762 0.3181762 0.7884591), wk = 0.0032787 k( 151) = ( 0.3333275 0.3333275 0.8021952), wk = 0.0032787 k( 152) = ( 0.3484788 0.3484788 0.8159313), wk = 0.0032787 k( 153) = ( 0.3636300 0.3636300 0.8296675), wk = 0.0032787 k( 154) = ( 0.3787813 0.3787813 0.8434036), wk = 0.0032787 k( 155) = ( 0.3939325 0.3939325 0.8571398), wk = 0.0032787 k( 156) = ( 0.4090838 0.4090837 0.8708759), wk = 0.0032787 k( 157) = ( 0.4242350 0.4242350 0.8846121), wk = 0.0032787 k( 158) = ( 0.4393862 0.4393862 0.8983482), wk = 0.0032787 k( 159) = ( 0.4545375 0.4545375 0.9120843), wk = 0.0032787 k( 160) = ( 0.4696887 0.4696887 0.9258205), wk = 0.0032787 k( 161) = ( 0.4848400 0.4848400 0.9395566), wk = 0.0032787 k( 162) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032787 k( 163) = ( 0.5076581 0.4923419 0.0000000), wk = 0.0032787 k( 164) = ( 0.5153162 0.4846838 0.0000000), wk = 0.0032787 k( 165) = ( 0.5229743 0.4770257 -0.0000000), wk = 0.0032787 k( 166) = ( 0.5306324 0.4693676 -0.0000000), wk = 0.0032787 k( 167) = ( 0.5382905 0.4617095 0.0000000), wk = 0.0032787 k( 168) = ( 0.5459486 0.4540514 0.0000000), wk = 0.0032787 k( 169) = ( 0.5536067 0.4463933 -0.0000000), wk = 0.0032787 k( 170) = ( 0.5612648 0.4387352 -0.0000000), wk = 0.0032787 k( 171) = ( 0.5689230 0.4310770 0.0000000), wk = 0.0032787 k( 172) = ( 0.5765811 0.4234189 0.0000000), wk = 0.0032787 k( 173) = ( 0.5842392 0.4157608 -0.0000000), wk = 0.0032787 k( 174) = ( 0.5918973 0.4081027 0.0000000), wk = 0.0032787 k( 175) = ( 0.5995554 0.4004446 0.0000000), wk = 0.0032787 k( 176) = ( 0.6072135 0.3927865 -0.0000000), wk = 0.0032787 k( 177) = ( 0.6148716 0.3851284 0.0000000), wk = 0.0032787 k( 178) = ( 0.6225297 0.3774703 0.0000000), wk = 0.0032787 k( 179) = ( 0.6301878 0.3698122 0.0000000), wk = 0.0032787 k( 180) = ( 0.6378459 0.3621541 -0.0000000), wk = 0.0032787 k( 181) = ( 0.6455040 0.3544960 0.0000000), wk = 0.0032787 k( 182) = ( 0.6531621 0.3468379 0.0000000), wk = 0.0032787 k( 183) = ( 0.6608202 0.3391798 -0.0000000), wk = 0.0032787 k( 184) = ( 0.6684783 0.3315217 -0.0000000), wk = 0.0032787 k( 185) = ( 0.3315217 -0.3315217 0.0000000), wk = 0.0032787 k( 186) = ( 0.3238119 -0.3238119 -0.0000000), wk = 0.0032787 k( 187) = ( 0.3161021 -0.3161021 -0.0000000), wk = 0.0032787 k( 188) = ( 0.3083923 -0.3083923 0.0000000), wk = 0.0032787 k( 189) = ( 0.3006824 -0.3006824 0.0000000), wk = 0.0032787 k( 190) = ( 0.2929727 -0.2929727 0.0000000), wk = 0.0032787 k( 191) = ( 0.2852628 -0.2852628 -0.0000000), wk = 0.0032787 k( 192) = ( 0.2775530 -0.2775530 0.0000000), wk = 0.0032787 k( 193) = ( 0.2698432 -0.2698432 0.0000000), wk = 0.0032787 k( 194) = ( 0.2621334 -0.2621334 0.0000000), wk = 0.0032787 k( 195) = ( 0.2544236 -0.2544236 0.0000000), wk = 0.0032787 k( 196) = ( 0.2467138 -0.2467138 0.0000000), wk = 0.0032787 k( 197) = ( 0.2390040 -0.2390040 0.0000000), wk = 0.0032787 k( 198) = ( 0.2312942 -0.2312942 0.0000000), wk = 0.0032787 k( 199) = ( 0.2235844 -0.2235844 -0.0000000), wk = 0.0032787 k( 200) = ( 0.2158746 -0.2158746 0.0000000), wk = 0.0032787 k( 201) = ( 0.2081648 -0.2081648 0.0000000), wk = 0.0032787 k( 202) = ( 0.2004550 -0.2004550 -0.0000000), wk = 0.0032787 k( 203) = ( 0.1927452 -0.1927452 0.0000000), wk = 0.0032787 k( 204) = ( 0.1850353 -0.1850353 -0.0000000), wk = 0.0032787 k( 205) = ( 0.1773255 -0.1773255 0.0000000), wk = 0.0032787 k( 206) = ( 0.1696157 -0.1696157 0.0000000), wk = 0.0032787 k( 207) = ( 0.1619059 -0.1619059 -0.0000000), wk = 0.0032787 k( 208) = ( 0.1541961 -0.1541961 0.0000000), wk = 0.0032787 k( 209) = ( 0.1464863 -0.1464863 0.0000000), wk = 0.0032787 k( 210) = ( 0.1387765 -0.1387765 0.0000000), wk = 0.0032787 k( 211) = ( 0.1310667 -0.1310667 0.0000000), wk = 0.0032787 k( 212) = ( 0.1233569 -0.1233569 0.0000000), wk = 0.0032787 k( 213) = ( 0.1156471 -0.1156471 0.0000000), wk = 0.0032787 k( 214) = ( 0.1079373 -0.1079373 0.0000000), wk = 0.0032787 k( 215) = ( 0.1002275 -0.1002275 0.0000000), wk = 0.0032787 k( 216) = ( 0.0925177 -0.0925177 0.0000000), wk = 0.0032787 k( 217) = ( 0.0848079 -0.0848079 0.0000000), wk = 0.0032787 k( 218) = ( 0.0770981 -0.0770981 -0.0000000), wk = 0.0032787 k( 219) = ( 0.0693883 -0.0693883 0.0000000), wk = 0.0032787 k( 220) = ( 0.0616785 -0.0616784 0.0000000), wk = 0.0032787 k( 221) = ( 0.0539686 -0.0539687 -0.0000000), wk = 0.0032787 k( 222) = ( 0.0462588 -0.0462588 0.0000000), wk = 0.0032787 k( 223) = ( 0.0385490 -0.0385490 -0.0000000), wk = 0.0032787 k( 224) = ( 0.0308392 -0.0308392 0.0000000), wk = 0.0032787 k( 225) = ( 0.0231294 -0.0231294 0.0000000), wk = 0.0032787 k( 226) = ( 0.0154196 -0.0154196 -0.0000000), wk = 0.0032787 k( 227) = ( 0.0077098 -0.0077098 0.0000000), wk = 0.0032787 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 230) = ( 0.0135135 -0.0000000 -0.0000000), wk = 0.0032787 k( 231) = ( 0.0270270 -0.0000000 0.0000000), wk = 0.0032787 k( 232) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0032787 k( 233) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0032787 k( 234) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0032787 k( 235) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0032787 k( 236) = ( 0.0945946 0.0000000 -0.0000000), wk = 0.0032787 k( 237) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0032787 k( 238) = ( 0.1216216 0.0000000 0.0000000), wk = 0.0032787 k( 239) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0032787 k( 240) = ( 0.1486486 -0.0000000 0.0000000), wk = 0.0032787 k( 241) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0032787 k( 242) = ( 0.1756757 -0.0000000 0.0000000), wk = 0.0032787 k( 243) = ( 0.1891892 0.0000000 0.0000000), wk = 0.0032787 k( 244) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0032787 k( 245) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0032787 k( 246) = ( 0.2297297 -0.0000000 -0.0000000), wk = 0.0032787 k( 247) = ( 0.2432432 0.0000000 0.0000000), wk = 0.0032787 k( 248) = ( 0.2567568 0.0000000 0.0000000), wk = 0.0032787 k( 249) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0032787 k( 250) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0032787 k( 251) = ( 0.2972973 -0.0000000 0.0000000), wk = 0.0032787 k( 252) = ( 0.3108108 -0.0000000 -0.0000000), wk = 0.0032787 k( 253) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0032787 k( 254) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0032787 k( 255) = ( 0.3513514 0.0000000 0.0000000), wk = 0.0032787 k( 256) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0032787 k( 257) = ( 0.3783784 0.0000000 0.0000000), wk = 0.0032787 k( 258) = ( 0.3918919 0.0000000 0.0000000), wk = 0.0032787 k( 259) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0032787 k( 260) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0032787 k( 261) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0032787 k( 262) = ( 0.4459459 -0.0000000 0.0000000), wk = 0.0032787 k( 263) = ( 0.4594595 -0.0000000 -0.0000000), wk = 0.0032787 k( 264) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0032787 k( 265) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0032787 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032787 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032787 k( 268) = ( 0.4868421 -0.0000000 0.4868421), wk = 0.0032787 k( 269) = ( 0.4736842 0.0000000 0.4736842), wk = 0.0032787 k( 270) = ( 0.4605263 -0.0000000 0.4605263), wk = 0.0032787 k( 271) = ( 0.4473684 0.0000000 0.4473684), wk = 0.0032787 k( 272) = ( 0.4342105 -0.0000000 0.4342105), wk = 0.0032787 k( 273) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0032787 k( 274) = ( 0.4078947 -0.0000000 0.4078947), wk = 0.0032787 k( 275) = ( 0.3947368 0.0000000 0.3947368), wk = 0.0032787 k( 276) = ( 0.3815789 0.0000000 0.3815789), wk = 0.0032787 k( 277) = ( 0.3684211 -0.0000000 0.3684210), wk = 0.0032787 k( 278) = ( 0.3552632 -0.0000000 0.3552632), wk = 0.0032787 k( 279) = ( 0.3421053 0.0000000 0.3421053), wk = 0.0032787 k( 280) = ( 0.3289474 -0.0000000 0.3289474), wk = 0.0032787 k( 281) = ( 0.3157895 0.0000000 0.3157895), wk = 0.0032787 k( 282) = ( 0.3026316 -0.0000000 0.3026316), wk = 0.0032787 k( 283) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0032787 k( 284) = ( 0.2763158 -0.0000000 0.2763158), wk = 0.0032787 k( 285) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0032787 k( 286) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0032787 k( 287) = ( 0.2368421 0.0000000 0.2368421), wk = 0.0032787 k( 288) = ( 0.2236842 0.0000000 0.2236842), wk = 0.0032787 k( 289) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0032787 k( 290) = ( 0.1973684 0.0000000 0.1973684), wk = 0.0032787 k( 291) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0032787 k( 292) = ( 0.1710526 0.0000000 0.1710526), wk = 0.0032787 k( 293) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0032787 k( 294) = ( 0.1447368 0.0000000 0.1447368), wk = 0.0032787 k( 295) = ( 0.1315790 0.0000000 0.1315790), wk = 0.0032787 k( 296) = ( 0.1184210 0.0000000 0.1184210), wk = 0.0032787 k( 297) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0032787 k( 298) = ( 0.0921053 0.0000000 0.0921053), wk = 0.0032787 k( 299) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0032787 k( 300) = ( 0.0657895 -0.0000000 0.0657895), wk = 0.0032787 k( 301) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0032787 k( 302) = ( 0.0394737 -0.0000000 0.0394737), wk = 0.0032787 k( 303) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0032787 k( 304) = ( 0.0131579 0.0000000 0.0131579), wk = 0.0032787 k( 305) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 Dense grid: 60515 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 42425 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 302, 52) NL pseudopotentials 0.29 Mb ( 151, 126) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1678) G-vector shells 0.01 Mb ( 1613) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 302, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.20 Mb ( 126, 2, 52) The potential is recalculated from file : ./BaSe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 10.0 secs Computing kpt #: 16 total cpu time spent up to now is 10.6 secs Computing kpt #: 17 total cpu time spent up to now is 11.2 secs Computing kpt #: 18 total cpu time spent up to now is 11.7 secs Computing kpt #: 19 total cpu time spent up to now is 12.3 secs Computing kpt #: 20 total cpu time spent up to now is 12.8 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 15.0 secs Computing kpt #: 25 total cpu time spent up to now is 15.5 secs Computing kpt #: 26 total cpu time spent up to now is 16.0 secs Computing kpt #: 27 total cpu time spent up to now is 16.6 secs Computing kpt #: 28 total cpu time spent up to now is 17.1 secs Computing kpt #: 29 total cpu time spent up to now is 17.7 secs Computing kpt #: 30 total cpu time spent up to now is 18.3 secs Computing kpt #: 31 total cpu time spent up to now is 18.8 secs Computing kpt #: 32 total cpu time spent up to now is 19.4 secs Computing kpt #: 33 total cpu time spent up to now is 19.9 secs Computing kpt #: 34 total cpu time spent up to now is 20.4 secs Computing kpt #: 35 total cpu time spent up to now is 20.9 secs Computing kpt #: 36 total cpu time spent up to now is 21.5 secs Computing kpt #: 37 total cpu time spent up to now is 22.0 secs Computing kpt #: 38 total cpu time spent up to now is 22.5 secs Computing kpt #: 39 total cpu time spent up to now is 23.0 secs Computing kpt #: 40 total cpu time spent up to now is 23.5 secs Computing kpt #: 41 total cpu time spent up to now is 24.0 secs Computing kpt #: 42 total cpu time spent up to now is 24.5 secs Computing kpt #: 43 total cpu time spent up to now is 25.1 secs Computing kpt #: 44 total cpu time spent up to now is 25.6 secs Computing kpt #: 45 total cpu time spent up to now is 26.1 secs Computing kpt #: 46 total cpu time spent up to now is 26.6 secs Computing kpt #: 47 total cpu time spent up to now is 27.1 secs Computing kpt #: 48 total cpu time spent up to now is 27.6 secs Computing kpt #: 49 total cpu time spent up to now is 28.2 secs Computing kpt #: 50 total cpu time spent up to now is 28.7 secs Computing kpt #: 51 total cpu time spent up to now is 29.2 secs Computing kpt #: 52 total cpu time spent up to now is 29.7 secs Computing kpt #: 53 total cpu time spent up to now is 30.3 secs Computing kpt #: 54 total cpu time spent up to now is 30.9 secs Computing kpt #: 55 total cpu time spent up to now is 31.5 secs Computing kpt #: 56 total cpu time spent up to now is 32.0 secs Computing kpt #: 57 total cpu time spent up to now is 32.5 secs Computing kpt #: 58 total cpu time spent up to now is 33.1 secs Computing kpt #: 59 total cpu time spent up to now is 33.6 secs Computing kpt #: 60 total cpu time spent up to now is 34.1 secs Computing kpt #: 61 total cpu time spent up to now is 34.7 secs Computing kpt #: 62 total cpu time spent up to now is 35.2 secs Computing kpt #: 63 total cpu time spent up to now is 35.7 secs Computing kpt #: 64 total cpu time spent up to now is 36.2 secs Computing kpt #: 65 total cpu time spent up to now is 36.8 secs Computing kpt #: 66 total cpu time spent up to now is 37.3 secs Computing kpt #: 67 total cpu time spent up to now is 37.8 secs Computing kpt #: 68 total cpu time spent up to now is 38.3 secs Computing kpt #: 69 total cpu time spent up to now is 38.9 secs Computing kpt #: 70 total cpu time spent up to now is 39.4 secs Computing kpt #: 71 total cpu time spent up to now is 39.9 secs Computing kpt #: 72 total cpu time spent up to now is 40.4 secs Computing kpt #: 73 total cpu time spent up to now is 40.9 secs Computing kpt #: 74 total cpu time spent up to now is 41.5 secs Computing kpt #: 75 total cpu time spent up to now is 42.0 secs Computing kpt #: 76 total cpu time spent up to now is 42.5 secs Computing kpt #: 77 total cpu time spent up to now is 43.0 secs Computing kpt #: 78 total cpu time spent up to now is 43.5 secs Computing kpt #: 79 total cpu time spent up to now is 44.0 secs Computing kpt #: 80 total cpu time spent up to now is 44.6 secs Computing kpt #: 81 total cpu time spent up to now is 45.1 secs Computing kpt #: 82 total cpu time spent up to now is 45.6 secs Computing kpt #: 83 total cpu time spent up to now is 46.1 secs Computing kpt #: 84 total cpu time spent up to now is 46.6 secs Computing kpt #: 85 total cpu time spent up to now is 47.1 secs Computing kpt #: 86 total cpu time spent up to now is 47.7 secs Computing kpt #: 87 total cpu time spent up to now is 48.2 secs Computing kpt #: 88 total cpu time spent up to now is 48.7 secs Computing kpt #: 89 total cpu time spent up to now is 49.2 secs Computing kpt #: 90 total cpu time spent up to now is 49.7 secs Computing kpt #: 91 total cpu time spent up to now is 50.2 secs Computing kpt #: 92 total cpu time spent up to now is 50.7 secs Computing kpt #: 93 total cpu time spent up to now is 51.2 secs Computing kpt #: 94 total cpu time spent up to now is 51.7 secs Computing kpt #: 95 total cpu time spent up to now is 52.2 secs Computing kpt #: 96 total cpu time spent up to now is 52.7 secs Computing kpt #: 97 total cpu time spent up to now is 53.2 secs Computing kpt #: 98 total cpu time spent up to now is 53.7 secs Computing kpt #: 99 total cpu time spent up to now is 54.2 secs Computing kpt #: 100 total cpu time spent up to now is 54.7 secs Computing kpt #: 101 total cpu time spent up to now is 55.2 secs Computing kpt #: 102 total cpu time spent up to now is 55.7 secs Computing kpt #: 103 total cpu time spent up to now is 56.2 secs Computing kpt #: 104 total cpu time spent up to now is 56.7 secs Computing kpt #: 105 total cpu time spent up to now is 57.2 secs Computing kpt #: 106 total cpu time spent up to now is 57.8 secs Computing kpt #: 107 total cpu time spent up to now is 58.3 secs Computing kpt #: 108 total cpu time spent up to now is 58.8 secs Computing kpt #: 109 total cpu time spent up to now is 59.3 secs Computing kpt #: 110 total cpu time spent up to now is 59.8 secs Computing kpt #: 111 total cpu time spent up to now is 60.4 secs Computing kpt #: 112 total cpu time spent up to now is 60.9 secs Computing kpt #: 113 total cpu time spent up to now is 61.4 secs Computing kpt #: 114 total cpu time spent up to now is 62.0 secs Computing kpt #: 115 total cpu time spent up to now is 62.5 secs Computing kpt #: 116 total cpu time spent up to now is 63.0 secs Computing kpt #: 117 total cpu time spent up to now is 63.5 secs Computing kpt #: 118 total cpu time spent up to now is 64.0 secs Computing kpt #: 119 total cpu time spent up to now is 64.5 secs Computing kpt #: 120 total cpu time spent up to now is 65.0 secs Computing kpt #: 121 total cpu time spent up to now is 65.5 secs Computing kpt #: 122 total cpu time spent up to now is 65.9 secs Computing kpt #: 123 total cpu time spent up to now is 66.4 secs Computing kpt #: 124 total cpu time spent up to now is 66.9 secs Computing kpt #: 125 total cpu time spent up to now is 67.3 secs Computing kpt #: 126 total cpu time spent up to now is 67.8 secs Computing kpt #: 127 total cpu time spent up to now is 68.3 secs Computing kpt #: 128 total cpu time spent up to now is 68.7 secs Computing kpt #: 129 total cpu time spent up to now is 69.2 secs Computing kpt #: 130 total cpu time spent up to now is 69.6 secs Computing kpt #: 131 total cpu time spent up to now is 70.1 secs Computing kpt #: 132 total cpu time spent up to now is 70.5 secs Computing kpt #: 133 total cpu time spent up to now is 71.0 secs Computing kpt #: 134 total cpu time spent up to now is 71.5 secs Computing kpt #: 135 total cpu time spent up to now is 72.0 secs Computing kpt #: 136 total cpu time spent up to now is 72.4 secs Computing kpt #: 137 total cpu time spent up to now is 73.0 secs Computing kpt #: 138 total cpu time spent up to now is 73.5 secs Computing kpt #: 139 total cpu time spent up to now is 74.0 secs Computing kpt #: 140 total cpu time spent up to now is 74.5 secs Computing kpt #: 141 total cpu time spent up to now is 75.0 secs Computing kpt #: 142 total cpu time spent up to now is 75.5 secs Computing kpt #: 143 total cpu time spent up to now is 76.0 secs Computing kpt #: 144 total cpu time spent up to now is 76.6 secs Computing kpt #: 145 total cpu time spent up to now is 77.1 secs Computing kpt #: 146 total cpu time spent up to now is 77.6 secs Computing kpt #: 147 total cpu time spent up to now is 78.1 secs Computing kpt #: 148 total cpu time spent up to now is 78.6 secs Computing kpt #: 149 total cpu time spent up to now is 79.1 secs Computing kpt #: 150 total cpu time spent up to now is 79.7 secs Computing kpt #: 151 total cpu time spent up to now is 80.2 secs Computing kpt #: 152 total cpu time spent up to now is 80.7 secs Computing kpt #: 153 total cpu time spent up to now is 81.2 secs Computing kpt #: 154 total cpu time spent up to now is 81.7 secs Computing kpt #: 155 total cpu time spent up to now is 82.2 secs Computing kpt #: 156 total cpu time spent up to now is 82.8 secs Computing kpt #: 157 total cpu time spent up to now is 83.3 secs Computing kpt #: 158 total cpu time spent up to now is 83.8 secs Computing kpt #: 159 total cpu time spent up to now is 84.3 secs Computing kpt #: 160 total cpu time spent up to now is 84.9 secs Computing kpt #: 161 total cpu time spent up to now is 85.4 secs Computing kpt #: 162 total cpu time spent up to now is 85.9 secs Computing kpt #: 163 total cpu time spent up to now is 86.4 secs Computing kpt #: 164 total cpu time spent up to now is 86.9 secs Computing kpt #: 165 total cpu time spent up to now is 87.4 secs Computing kpt #: 166 total cpu time spent up to now is 88.0 secs Computing kpt #: 167 total cpu time spent up to now is 88.5 secs Computing kpt #: 168 total cpu time spent up to now is 89.0 secs Computing kpt #: 169 total cpu time spent up to now is 89.5 secs Computing kpt #: 170 total cpu time spent up to now is 90.0 secs Computing kpt #: 171 total cpu time spent up to now is 90.5 secs Computing kpt #: 172 total cpu time spent up to now is 91.1 secs Computing kpt #: 173 total cpu time spent up to now is 91.6 secs Computing kpt #: 174 total cpu time spent up to now is 92.1 secs Computing kpt #: 175 total cpu time spent up to now is 92.6 secs Computing kpt #: 176 total cpu time spent up to now is 93.1 secs Computing kpt #: 177 total cpu time spent up to now is 93.6 secs Computing kpt #: 178 total cpu time spent up to now is 94.1 secs Computing kpt #: 179 total cpu time spent up to now is 94.6 secs Computing kpt #: 180 total cpu time spent up to now is 95.1 secs Computing kpt #: 181 total cpu time spent up to now is 95.6 secs Computing kpt #: 182 total cpu time spent up to now is 96.1 secs Computing kpt #: 183 total cpu time spent up to now is 96.7 secs Computing kpt #: 184 total cpu time spent up to now is 97.2 secs Computing kpt #: 185 total cpu time spent up to now is 97.7 secs Computing kpt #: 186 total cpu time spent up to now is 98.2 secs Computing kpt #: 187 total cpu time spent up to now is 98.7 secs Computing kpt #: 188 total cpu time spent up to now is 99.3 secs Computing kpt #: 189 total cpu time spent up to now is 99.8 secs Computing kpt #: 190 total cpu time spent up to now is 100.4 secs Computing kpt #: 191 total cpu time spent up to now is 100.9 secs Computing kpt #: 192 total cpu time spent up to now is 101.5 secs Computing kpt #: 193 total cpu time spent up to now is 102.1 secs Computing kpt #: 194 total cpu time spent up to now is 102.7 secs Computing kpt #: 195 total cpu time spent up to now is 103.3 secs Computing kpt #: 196 total cpu time spent up to now is 103.9 secs Computing kpt #: 197 total cpu time spent up to now is 104.4 secs Computing kpt #: 198 total cpu time spent up to now is 104.9 secs Computing kpt #: 199 total cpu time spent up to now is 105.4 secs Computing kpt #: 200 total cpu time spent up to now is 106.0 secs Computing kpt #: 201 total cpu time spent up to now is 106.5 secs Computing kpt #: 202 total cpu time spent up to now is 107.0 secs Computing kpt #: 203 total cpu time spent up to now is 107.5 secs Computing kpt #: 204 total cpu time spent up to now is 108.1 secs Computing kpt #: 205 total cpu time spent up to now is 108.6 secs Computing kpt #: 206 total cpu time spent up to now is 109.1 secs Computing kpt #: 207 total cpu time spent up to now is 109.7 secs Computing kpt #: 208 total cpu time spent up to now is 110.2 secs Computing kpt #: 209 total cpu time spent up to now is 110.8 secs Computing kpt #: 210 total cpu time spent up to now is 111.3 secs Computing kpt #: 211 total cpu time spent up to now is 111.8 secs Computing kpt #: 212 total cpu time spent up to now is 112.4 secs Computing kpt #: 213 total cpu time spent up to now is 113.0 secs Computing kpt #: 214 total cpu time spent up to now is 113.6 secs Computing kpt #: 215 total cpu time spent up to now is 114.2 secs Computing kpt #: 216 total cpu time spent up to now is 114.8 secs Computing kpt #: 217 total cpu time spent up to now is 115.4 secs Computing kpt #: 218 total cpu time spent up to now is 115.9 secs Computing kpt #: 219 total cpu time spent up to now is 116.5 secs Computing kpt #: 220 total cpu time spent up to now is 117.1 secs Computing kpt #: 221 total cpu time spent up to now is 117.6 secs Computing kpt #: 222 total cpu time spent up to now is 118.2 secs Computing kpt #: 223 total cpu time spent up to now is 118.8 secs Computing kpt #: 224 total cpu time spent up to now is 119.4 secs Computing kpt #: 225 total cpu time spent up to now is 120.1 secs Computing kpt #: 226 total cpu time spent up to now is 120.7 secs Computing kpt #: 227 total cpu time spent up to now is 121.3 secs Computing kpt #: 228 total cpu time spent up to now is 121.9 secs Computing kpt #: 229 total cpu time spent up to now is 122.5 secs Computing kpt #: 230 total cpu time spent up to now is 123.1 secs Computing kpt #: 231 total cpu time spent up to now is 123.7 secs Computing kpt #: 232 total cpu time spent up to now is 124.3 secs Computing kpt #: 233 total cpu time spent up to now is 124.9 secs Computing kpt #: 234 total cpu time spent up to now is 125.4 secs Computing kpt #: 235 total cpu time spent up to now is 126.0 secs Computing kpt #: 236 total cpu time spent up to now is 126.5 secs Computing kpt #: 237 total cpu time spent up to now is 127.1 secs Computing kpt #: 238 total cpu time spent up to now is 127.7 secs Computing kpt #: 239 total cpu time spent up to now is 128.3 secs Computing kpt #: 240 total cpu time spent up to now is 128.9 secs Computing kpt #: 241 total cpu time spent up to now is 129.4 secs Computing kpt #: 242 total cpu time spent up to now is 129.9 secs Computing kpt #: 243 total cpu time spent up to now is 130.4 secs Computing kpt #: 244 total cpu time spent up to now is 130.9 secs Computing kpt #: 245 total cpu time spent up to now is 131.4 secs Computing kpt #: 246 total cpu time spent up to now is 131.9 secs Computing kpt #: 247 total cpu time spent up to now is 132.4 secs Computing kpt #: 248 total cpu time spent up to now is 132.9 secs Computing kpt #: 249 total cpu time spent up to now is 133.5 secs Computing kpt #: 250 total cpu time spent up to now is 134.0 secs Computing kpt #: 251 total cpu time spent up to now is 134.5 secs Computing kpt #: 252 total cpu time spent up to now is 135.0 secs Computing kpt #: 253 total cpu time spent up to now is 135.5 secs Computing kpt #: 254 total cpu time spent up to now is 136.1 secs Computing kpt #: 255 total cpu time spent up to now is 136.6 secs Computing kpt #: 256 total cpu time spent up to now is 137.1 secs Computing kpt #: 257 total cpu time spent up to now is 137.6 secs Computing kpt #: 258 total cpu time spent up to now is 138.2 secs Computing kpt #: 259 total cpu time spent up to now is 138.7 secs Computing kpt #: 260 total cpu time spent up to now is 139.2 secs Computing kpt #: 261 total cpu time spent up to now is 139.7 secs Computing kpt #: 262 total cpu time spent up to now is 140.2 secs Computing kpt #: 263 total cpu time spent up to now is 140.7 secs Computing kpt #: 264 total cpu time spent up to now is 141.2 secs Computing kpt #: 265 total cpu time spent up to now is 141.7 secs Computing kpt #: 266 total cpu time spent up to now is 142.2 secs Computing kpt #: 267 total cpu time spent up to now is 142.9 secs Computing kpt #: 268 total cpu time spent up to now is 143.5 secs Computing kpt #: 269 total cpu time spent up to now is 144.0 secs Computing kpt #: 270 total cpu time spent up to now is 144.6 secs Computing kpt #: 271 total cpu time spent up to now is 145.2 secs Computing kpt #: 272 total cpu time spent up to now is 145.8 secs Computing kpt #: 273 total cpu time spent up to now is 146.4 secs Computing kpt #: 274 total cpu time spent up to now is 147.0 secs Computing kpt #: 275 total cpu time spent up to now is 147.5 secs Computing kpt #: 276 total cpu time spent up to now is 148.1 secs Computing kpt #: 277 total cpu time spent up to now is 148.7 secs Computing kpt #: 278 total cpu time spent up to now is 149.3 secs Computing kpt #: 279 total cpu time spent up to now is 149.9 secs Computing kpt #: 280 total cpu time spent up to now is 150.4 secs Computing kpt #: 281 total cpu time spent up to now is 150.9 secs Computing kpt #: 282 total cpu time spent up to now is 151.4 secs Computing kpt #: 283 total cpu time spent up to now is 151.9 secs Computing kpt #: 284 total cpu time spent up to now is 152.5 secs Computing kpt #: 285 total cpu time spent up to now is 153.0 secs Computing kpt #: 286 total cpu time spent up to now is 153.5 secs Computing kpt #: 287 total cpu time spent up to now is 154.1 secs Computing kpt #: 288 total cpu time spent up to now is 154.6 secs Computing kpt #: 289 total cpu time spent up to now is 155.1 secs Computing kpt #: 290 total cpu time spent up to now is 155.6 secs Computing kpt #: 291 total cpu time spent up to now is 156.2 secs Computing kpt #: 292 total cpu time spent up to now is 156.7 secs Computing kpt #: 293 total cpu time spent up to now is 157.3 secs Computing kpt #: 294 total cpu time spent up to now is 157.9 secs Computing kpt #: 295 total cpu time spent up to now is 158.5 secs Computing kpt #: 296 total cpu time spent up to now is 159.1 secs Computing kpt #: 297 total cpu time spent up to now is 159.7 secs Computing kpt #: 298 total cpu time spent up to now is 160.3 secs Computing kpt #: 299 total cpu time spent up to now is 160.9 secs Computing kpt #: 300 total cpu time spent up to now is 161.5 secs Computing kpt #: 301 total cpu time spent up to now is 162.1 secs Computing kpt #: 302 total cpu time spent up to now is 162.8 secs Computing kpt #: 303 total cpu time spent up to now is 163.4 secs Computing kpt #: 304 total cpu time spent up to now is 164.0 secs Computing kpt #: 305 total cpu time spent up to now is 164.6 secs ethr = 2.27E-08, avg # of iterations = 19.4 total cpu time spent up to now is 164.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5921 -8.5921 -8.0804 -8.0804 -7.8172 -7.8172 -7.4815 -7.4815 -5.8313 -5.8313 -5.8278 -5.8278 -5.7877 -5.7877 -5.4591 -5.4591 -4.5491 -4.5491 -4.4449 -4.4449 1.1213 1.1213 1.1797 1.1797 2.1957 2.1957 3.1818 3.1818 3.4847 3.4847 3.8025 3.8025 4.6094 4.6094 4.9472 4.9472 5.3125 5.3125 5.6634 5.6634 8.3550 8.3550 8.8115 8.8115 9.0882 9.0882 9.6001 9.6001 k = 0.0135 0.0068-0.0082 ( 5324 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5914 -8.5914 -8.0821 -8.0821 -7.8154 -7.8154 -7.4819 -7.4819 -5.8335 -5.8335 -5.8260 -5.8260 -5.7876 -5.7876 -5.4599 -5.4599 -4.5491 -4.5491 -4.4461 -4.4461 1.1240 1.1240 1.1822 1.1822 2.1975 2.1975 3.1819 3.1819 3.4843 3.4843 3.8012 3.8012 4.6100 4.6100 4.9477 4.9477 5.3113 5.3113 5.6622 5.6622 8.3562 8.3562 8.8142 8.8142 9.0833 9.0833 9.5683 9.5683 k = 0.0270 0.0136-0.0164 ( 5318 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5892 -8.5892 -8.0872 -8.0872 -7.8102 -7.8102 -7.4829 -7.4829 -5.8373 -5.8373 -5.8232 -5.8232 -5.7874 -5.7874 -5.4623 -5.4623 -4.5494 -4.5494 -4.4498 -4.4498 1.1321 1.1321 1.1898 1.1898 2.2029 2.2029 3.1825 3.1825 3.4831 3.4831 3.7973 3.7973 4.6118 4.6118 4.9491 4.9491 5.3078 5.3078 5.6588 5.6588 8.3599 8.3599 8.8225 8.8225 9.0680 9.0680 9.5193 9.5193 k = 0.0405 0.0203-0.0246 ( 5306 PWs) bands (ev): -21.1724 -21.1724 -21.1597 -21.1597 -8.5857 -8.5857 -8.0952 -8.0952 -7.8018 -7.8018 -7.4846 -7.4846 -5.8422 -5.8422 -5.8202 -5.8202 -5.7870 -5.7870 -5.4662 -5.4662 -4.5498 -4.5498 -4.4559 -4.4559 1.1457 1.1457 1.2023 1.2023 2.2119 2.2119 3.1836 3.1836 3.4812 3.4812 3.7909 3.7909 4.6147 4.6147 4.9515 4.9515 5.3021 5.3021 5.6531 5.6531 8.3661 8.3661 8.8363 8.8363 9.0417 9.0417 9.4774 9.4774 k = 0.0541 0.0271-0.0328 ( 5310 PWs) bands (ev): -21.1723 -21.1723 -21.1597 -21.1597 -8.5808 -8.5808 -8.1056 -8.1056 -7.7910 -7.7910 -7.4869 -7.4869 -5.8481 -5.8481 -5.8170 -5.8170 -5.7863 -5.7863 -5.4717 -5.4717 -4.5504 -4.5504 -4.4643 -4.4643 1.1645 1.1645 1.2197 1.2197 2.2245 2.2245 3.1850 3.1850 3.4784 3.4784 3.7821 3.7821 4.6187 4.6187 4.9546 4.9546 5.2940 5.2940 5.6453 5.6453 8.3747 8.3747 8.8552 8.8552 9.0046 9.0046 9.4482 9.4482 k = 0.0676 0.0339-0.0410 ( 5300 PWs) bands (ev): -21.1721 -21.1721 -21.1598 -21.1598 -8.5744 -8.5744 -8.1178 -8.1178 -7.7783 -7.7783 -7.4899 -7.4899 -5.8553 -5.8553 -5.8138 -5.8138 -5.7849 -5.7849 -5.4785 -5.4785 -4.5512 -4.5512 -4.4750 -4.4750 1.1886 1.1886 1.2419 1.2419 2.2405 2.2405 3.1870 3.1870 3.4750 3.4750 3.7712 3.7712 4.6238 4.6238 4.9583 4.9583 5.2837 5.2837 5.6353 5.6353 8.3860 8.3860 8.8791 8.8791 8.9588 8.9588 9.4317 9.4317 k = 0.0811 0.0407-0.0492 ( 5301 PWs) bands (ev): -21.1720 -21.1720 -21.1598 -21.1598 -8.5668 -8.5668 -8.1314 -8.1314 -7.7641 -7.7641 -7.4934 -7.4934 -5.8636 -5.8636 -5.8110 -5.8110 -5.7825 -5.7825 -5.4868 -5.4868 -4.5524 -4.5524 -4.4876 -4.4876 1.2177 1.2177 1.2687 1.2687 2.2601 2.2601 3.1896 3.1896 3.4708 3.4708 3.7583 3.7583 4.6297 4.6297 4.9623 4.9623 5.2711 5.2711 5.6232 5.6232 8.3998 8.3998 8.8985 8.8985 8.9161 8.9161 9.4262 9.4262 k = 0.0946 0.0475-0.0574 ( 5288 PWs) bands (ev): -21.1718 -21.1718 -21.1599 -21.1599 -8.5577 -8.5577 -8.1460 -8.1460 -7.7489 -7.7489 -7.4974 -7.4974 -5.8732 -5.8732 -5.8091 -5.8091 -5.7787 -5.7787 -5.4962 -5.4962 -4.5541 -4.5541 -4.5018 -4.5018 1.2518 1.2518 1.3001 1.3001 2.2831 2.2831 3.1929 3.1929 3.4658 3.4658 3.7437 3.7437 4.6365 4.6365 4.9666 4.9666 5.2565 5.2565 5.6093 5.6093 8.4163 8.4163 8.8492 8.8492 8.9432 8.9432 9.4292 9.4292 k = 0.1081 0.0543-0.0656 ( 5285 PWs) bands (ev): -21.1716 -21.1716 -21.1600 -21.1600 -8.5474 -8.5474 -8.1611 -8.1611 -7.7331 -7.7331 -7.5020 -7.5020 -5.8841 -5.8841 -5.8081 -5.8081 -5.7732 -5.7732 -5.5069 -5.5069 -4.5569 -4.5569 -4.5171 -4.5171 1.2907 1.2907 1.3358 1.3358 2.3095 2.3095 3.1969 3.1969 3.4602 3.4602 3.7276 3.7276 4.6439 4.6439 4.9707 4.9707 5.2398 5.2398 5.5935 5.5935 8.4356 8.4356 8.7932 8.7932 8.9795 8.9795 9.4386 9.4386 k = 0.1216 0.0610-0.0738 ( 5285 PWs) bands (ev): -21.1713 -21.1713 -21.1600 -21.1600 -8.5358 -8.5358 -8.1766 -8.1766 -7.7170 -7.7170 -7.5069 -7.5069 -5.8962 -5.8962 -5.8082 -5.8082 -5.7663 -5.7663 -5.5185 -5.5185 -4.5622 -4.5622 -4.5316 -4.5316 1.3342 1.3342 1.3756 1.3756 2.3392 2.3392 3.2018 3.2018 3.4539 3.4539 3.7104 3.7104 4.6520 4.6520 4.9742 4.9742 5.2213 5.2213 5.5760 5.5760 8.4576 8.4576 8.7376 8.7376 9.0182 9.0182 9.4527 9.4527 k = 0.1351 0.0678-0.0820 ( 5290 PWs) bands (ev): -21.1711 -21.1711 -21.1601 -21.1601 -8.5230 -8.5230 -8.1923 -8.1923 -7.7009 -7.7009 -7.5120 -7.5120 -5.9095 -5.9095 -5.8090 -5.8090 -5.7581 -5.7581 -5.5309 -5.5309 -4.5734 -4.5734 -4.5420 -4.5420 1.3820 1.3820 1.4194 1.4194 2.3721 2.3721 3.2075 3.2075 3.4470 3.4470 3.6922 3.6922 4.6605 4.6605 4.9769 4.9769 5.2015 5.2015 5.5569 5.5569 8.4824 8.4824 8.6834 8.6834 9.0568 9.0568 9.4705 9.4705 k = 0.1486 0.0746-0.0902 ( 5302 PWs) bands (ev): -21.1708 -21.1708 -21.1602 -21.1602 -8.5091 -8.5091 -8.2079 -8.2079 -7.6851 -7.6851 -7.5172 -7.5172 -5.9240 -5.9240 -5.8104 -5.8104 -5.7489 -5.7489 -5.5440 -5.5440 -4.5910 -4.5910 -4.5476 -4.5476 1.4338 1.4338 1.4670 1.4670 2.4080 2.4080 3.2142 3.2142 3.4395 3.4395 3.6735 3.6735 4.6693 4.6693 4.9780 4.9780 5.1808 5.1808 5.5363 5.5363 8.5096 8.5096 8.6314 8.6314 9.0912 9.0912 9.4909 9.4909 k = 0.1622 0.0814-0.0984 ( 5308 PWs) bands (ev): -21.1705 -21.1705 -21.1603 -21.1603 -8.4940 -8.4940 -8.2233 -8.2233 -7.6701 -7.6701 -7.5222 -7.5222 -5.9396 -5.9396 -5.8124 -5.8124 -5.7388 -5.7388 -5.5575 -5.5575 -4.6123 -4.6123 -4.5507 -4.5507 1.4893 1.4893 1.5182 1.5182 2.4470 2.4470 3.2218 3.2218 3.4314 3.4314 3.6544 3.6544 4.6784 4.6784 4.9768 4.9768 5.1600 5.1600 5.5143 5.5143 8.5365 8.5365 8.5844 8.5844 9.1148 9.1148 9.5127 9.5127 k = 0.1757 0.0882-0.1066 ( 5314 PWs) bands (ev): -21.1702 -21.1702 -21.1604 -21.1604 -8.4779 -8.4779 -8.2383 -8.2383 -7.6563 -7.6563 -7.5265 -7.5265 -5.9563 -5.9563 -5.8148 -5.8148 -5.7283 -5.7283 -5.5713 -5.5713 -4.6357 -4.6357 -4.5530 -4.5530 1.5481 1.5481 1.5731 1.5731 2.4889 2.4889 3.2304 3.2304 3.4229 3.4229 3.6353 3.6353 4.6875 4.6875 4.9724 4.9724 5.1403 5.1403 5.4910 5.4910 8.5232 8.5232 8.5816 8.5816 9.1182 9.1182 9.5343 9.5343 k = 0.1892 0.0950-0.1148 ( 5312 PWs) bands (ev): -21.1699 -21.1699 -21.1606 -21.1606 -8.4609 -8.4609 -8.2529 -8.2529 -7.6445 -7.6445 -7.5296 -7.5296 -5.9739 -5.9739 -5.8176 -5.8176 -5.7174 -5.7174 -5.5849 -5.5849 -4.6604 -4.6604 -4.5549 -4.5549 1.6094 1.6094 1.6315 1.6315 2.5334 2.5334 3.2398 3.2398 3.4139 3.4139 3.6163 3.6163 4.6966 4.6966 4.9636 4.9636 5.1229 5.1229 5.4664 5.4664 8.4769 8.4769 8.6150 8.6150 9.0933 9.0933 9.5561 9.5561 k = 0.2027 0.1017-0.1230 ( 5307 PWs) bands (ev): -21.1695 -21.1695 -21.1607 -21.1607 -8.4431 -8.4431 -8.2668 -8.2668 -7.6354 -7.6354 -7.5306 -7.5306 -5.9925 -5.9925 -5.8209 -5.8209 -5.7066 -5.7066 -5.5979 -5.5979 -4.6860 -4.6860 -4.5567 -4.5567 1.6725 1.6725 1.6939 1.6939 2.5806 2.5806 3.2499 3.2499 3.4048 3.4048 3.5979 3.5979 4.7055 4.7055 4.9494 4.9494 5.1092 5.1092 5.4407 5.4407 8.4278 8.4278 8.6528 8.6528 9.0405 9.0405 9.5782 9.5782 k = 0.2162 0.1085-0.1312 ( 5303 PWs) bands (ev): -21.1692 -21.1692 -21.1608 -21.1608 -8.4249 -8.4249 -8.2798 -8.2798 -7.6300 -7.6300 -7.5287 -7.5287 -6.0119 -6.0119 -5.8245 -5.8245 -5.6966 -5.6966 -5.6097 -5.6097 -4.7123 -4.7123 -4.5584 -4.5584 1.7365 1.7365 1.7604 1.7604 2.6301 2.6301 3.2603 3.2603 3.3958 3.3958 3.5800 3.5800 4.7140 4.7140 4.9297 4.9297 5.0996 5.0996 5.4138 5.4138 8.3767 8.3767 8.6911 8.6911 8.9681 8.9681 9.5542 9.5542 k = 0.2297 0.1153-0.1394 ( 5312 PWs) bands (ev): -21.1688 -21.1688 -21.1609 -21.1609 -8.4066 -8.4066 -8.2914 -8.2914 -7.6288 -7.6288 -7.5234 -7.5234 -6.0320 -6.0320 -5.8286 -5.8286 -5.6886 -5.6886 -5.6187 -5.6187 -4.7391 -4.7391 -4.5600 -4.5600 1.8014 1.8014 1.8304 1.8304 2.6817 2.6817 3.2705 3.2705 3.3876 3.3876 3.5631 3.5631 4.7222 4.7222 4.9054 4.9054 5.0937 5.0937 5.3858 5.3858 8.3223 8.3223 8.7221 8.7221 8.8908 8.8908 9.4818 9.4818 k = 0.2432 0.1221-0.1477 ( 5309 PWs) bands (ev): -21.1685 -21.1685 -21.1610 -21.1610 -8.3893 -8.3893 -8.3007 -8.3007 -7.6313 -7.6313 -7.5152 -7.5152 -6.0528 -6.0528 -5.8332 -5.8332 -5.6847 -5.6847 -5.6228 -5.6228 -4.7660 -4.7660 -4.5616 -4.5616 1.8672 1.8672 1.9034 1.9034 2.7351 2.7351 3.2792 3.2792 3.3812 3.3812 3.5471 3.5471 4.7297 4.7297 4.8776 4.8776 5.0908 5.0908 5.3568 5.3568 8.2633 8.2633 8.7079 8.7079 8.8514 8.8514 9.4066 9.4066 k = 0.2568 0.1289-0.1559 ( 5301 PWs) bands (ev): -21.1681 -21.1681 -21.1611 -21.1611 -8.3751 -8.3751 -8.3055 -8.3055 -7.6368 -7.6368 -7.5049 -7.5049 -6.0741 -6.0741 -5.8383 -5.8383 -5.6864 -5.6864 -5.6203 -5.6203 -4.7931 -4.7931 -4.5632 -4.5632 1.9338 1.9338 1.9786 1.9786 2.7901 2.7901 3.2849 3.2849 3.3780 3.3780 3.5322 3.5322 4.7365 4.7365 4.8478 4.8478 5.0900 5.0900 5.3270 5.3270 8.1983 8.1983 8.6246 8.6246 8.8769 8.8769 9.3375 9.3375 k = 0.2703 0.1357-0.1641 ( 5298 PWs) bands (ev): -21.1677 -21.1677 -21.1613 -21.1613 -8.3679 -8.3679 -8.3021 -8.3021 -7.6445 -7.6445 -7.4933 -7.4933 -6.0957 -6.0957 -5.8439 -5.8439 -5.6925 -5.6925 -5.6125 -5.6125 -4.8201 -4.8201 -4.5649 -4.5649 2.0011 2.0011 2.0555 2.0555 2.8463 2.8463 3.2859 3.2859 3.3798 3.3798 3.5185 3.5185 4.7421 4.7421 4.8174 4.8174 5.0910 5.0910 5.2963 5.2963 8.1262 8.1262 8.5179 8.5179 8.9239 8.9239 9.2772 9.2772 k = 0.2838 0.1424-0.1723 ( 5298 PWs) bands (ev): -21.1674 -21.1674 -21.1614 -21.1614 -8.3687 -8.3687 -8.2894 -8.2894 -7.6539 -7.6539 -7.4811 -7.4811 -6.1176 -6.1176 -5.8501 -5.8501 -5.7007 -5.7007 -5.6016 -5.6016 -4.8469 -4.8469 -4.5664 -4.5664 2.0690 2.0690 2.1337 2.1337 2.9031 2.9031 3.2819 3.2819 3.3866 3.3866 3.5059 3.5059 4.7452 4.7452 4.7887 4.7887 5.0932 5.0932 5.2651 5.2651 8.0468 8.0468 8.4041 8.4041 8.9774 8.9774 9.2271 9.2271 k = 0.2973 0.1492-0.1805 ( 5298 PWs) bands (ev): -21.1670 -21.1670 -21.1615 -21.1615 -8.3743 -8.3743 -8.2708 -8.2708 -7.6644 -7.6644 -7.4685 -7.4685 -6.1395 -6.1395 -5.8567 -5.8567 -5.7094 -5.7094 -5.5891 -5.5891 -4.8733 -4.8733 -4.5680 -4.5680 2.1372 2.1372 2.2125 2.2125 2.9601 2.9601 3.2739 3.2739 3.3973 3.3973 3.4946 3.4946 4.7383 4.7383 4.7699 4.7699 5.0965 5.0965 5.2337 5.2337 7.9602 7.9602 8.2875 8.2875 9.0340 9.0340 9.1877 9.1877 k = 0.3108 0.1560-0.1887 ( 5298 PWs) bands (ev): -21.1667 -21.1667 -21.1616 -21.1616 -8.3817 -8.3817 -8.2493 -8.2493 -7.6759 -7.6759 -7.4561 -7.4561 -6.1614 -6.1614 -5.8638 -5.8638 -5.7178 -5.7178 -5.5758 -5.5758 -4.8992 -4.8992 -4.5695 -4.5695 2.2053 2.2053 2.2917 2.2917 3.0164 3.0164 3.2634 3.2634 3.4101 3.4101 3.4846 3.4846 4.7151 4.7151 4.7679 4.7679 5.1005 5.1005 5.2026 5.2026 7.8673 7.8673 8.1701 8.1701 9.0917 9.0917 9.1592 9.1592 k = 0.3243 0.1628-0.1969 ( 5302 PWs) bands (ev): -21.1664 -21.1664 -21.1617 -21.1617 -8.3897 -8.3897 -8.2262 -8.2262 -7.6883 -7.6883 -7.4439 -7.4439 -6.1830 -6.1830 -5.8713 -5.8713 -5.7255 -5.7255 -5.5622 -5.5622 -4.9244 -4.9244 -4.5710 -4.5710 2.2732 2.2732 2.3707 2.3707 3.0713 3.0713 3.2514 3.2514 3.4235 3.4235 3.4761 3.4761 4.6882 4.6882 4.7710 4.7710 5.1042 5.1042 5.1730 5.1730 7.7693 7.7693 8.0533 8.0533 9.1320 9.1320 9.1583 9.1583 k = 0.3378 0.1696-0.2051 ( 5296 PWs) bands (ev): -21.1661 -21.1661 -21.1618 -21.1618 -8.3975 -8.3975 -8.2023 -8.2023 -7.7014 -7.7014 -7.4321 -7.4321 -6.2041 -6.2041 -5.8791 -5.8791 -5.7324 -5.7324 -5.5484 -5.5484 -4.9489 -4.9489 -4.5724 -4.5724 2.3406 2.3406 2.4491 2.4491 3.1236 3.1236 3.2389 3.2389 3.4355 3.4355 3.4704 3.4704 4.6620 4.6620 4.7752 4.7752 5.1038 5.1038 5.1493 5.1493 7.6680 7.6680 7.9383 7.9383 9.1241 9.1241 9.2137 9.2137 k = 0.3514 0.1764-0.2133 ( 5286 PWs) bands (ev): -21.1658 -21.1658 -21.1619 -21.1619 -8.4050 -8.4050 -8.1778 -8.1778 -7.7151 -7.7151 -7.4209 -7.4209 -6.2246 -6.2246 -5.8870 -5.8870 -5.7385 -5.7385 -5.5347 -5.5347 -4.9725 -4.9725 -4.5738 -4.5738 2.4072 2.4072 2.5263 2.5263 3.1715 3.1715 3.2267 3.2267 3.4418 3.4418 3.4711 3.4711 4.6379 4.6379 4.7799 4.7799 5.0901 5.0901 5.1411 5.1411 7.5649 7.5649 7.8261 7.8261 9.1196 9.1196 9.2715 9.2715 k = 0.3649 0.1831-0.2215 ( 5284 PWs) bands (ev): -21.1655 -21.1655 -21.1620 -21.1620 -8.4120 -8.4120 -8.1531 -8.1531 -7.7295 -7.7295 -7.4102 -7.4102 -6.2442 -6.2442 -5.8948 -5.8948 -5.7438 -5.7438 -5.5213 -5.5213 -4.9951 -4.9951 -4.5751 -4.5751 2.4726 2.4726 2.6019 2.6019 3.2041 3.2041 3.2247 3.2247 3.4403 3.4403 3.4803 3.4803 4.6165 4.6165 4.7848 4.7848 5.0662 5.0662 5.1457 5.1457 7.4618 7.4618 7.7176 7.7176 9.1203 9.1203 9.3272 9.3272 k = 0.3784 0.1899-0.2297 ( 5295 PWs) bands (ev): -21.1652 -21.1652 -21.1621 -21.1621 -8.4185 -8.4185 -8.1283 -8.1283 -7.7444 -7.7444 -7.4003 -7.4003 -6.2627 -6.2627 -5.9024 -5.9024 -5.7484 -5.7484 -5.5081 -5.5081 -5.0165 -5.0165 -4.5763 -4.5763 2.5366 2.5366 2.6752 2.6752 3.1963 3.1963 3.2566 3.2566 3.4351 3.4351 3.4934 3.4934 4.5982 4.5982 4.7898 4.7898 5.0408 5.0408 5.1550 5.1550 7.3604 7.3604 7.6139 7.6139 9.1253 9.1253 9.3793 9.3793 k = 0.3919 0.1967-0.2379 ( 5299 PWs) bands (ev): -21.1650 -21.1650 -21.1622 -21.1622 -8.4243 -8.4243 -8.1035 -8.1035 -7.7600 -7.7600 -7.3911 -7.3911 -6.2801 -6.2801 -5.9096 -5.9096 -5.7522 -5.7522 -5.4955 -5.4955 -5.0366 -5.0366 -4.5774 -4.5774 2.5989 2.5989 2.7457 2.7457 3.1834 3.1834 3.2860 3.2860 3.4290 3.4290 3.5078 3.5078 4.5830 4.5830 4.7949 4.7949 5.0172 5.0172 5.1664 5.1664 7.2624 7.2624 7.5161 7.5161 9.1334 9.1334 9.4264 9.4264 k = 0.4054 0.2035-0.2461 ( 5295 PWs) bands (ev): -21.1648 -21.1648 -21.1622 -21.1622 -8.4295 -8.4295 -8.0790 -8.0790 -7.7761 -7.7761 -7.3829 -7.3829 -6.2959 -6.2959 -5.9163 -5.9163 -5.7554 -5.7554 -5.4835 -5.4835 -5.0552 -5.0552 -4.5784 -4.5784 2.6590 2.6590 2.8126 2.8126 3.1699 3.1699 3.3078 3.3078 3.4227 3.4227 3.5223 3.5223 4.5712 4.5712 4.7996 4.7996 4.9966 4.9966 5.1789 5.1789 7.1697 7.1697 7.4253 7.4253 9.1436 9.1436 9.4673 9.4673 k = 0.4189 0.2103-0.2543 ( 5299 PWs) bands (ev): -21.1646 -21.1646 -21.1623 -21.1623 -8.4340 -8.4340 -8.0547 -8.0547 -7.7928 -7.7928 -7.3755 -7.3755 -6.3101 -6.3101 -5.9224 -5.9224 -5.7580 -5.7580 -5.4723 -5.4723 -5.0721 -5.0721 -4.5792 -4.5792 2.7166 2.7166 2.8750 2.8750 3.1558 3.1558 3.3218 3.3218 3.4164 3.4164 3.5361 3.5361 4.5623 4.5623 4.8036 4.8036 4.9799 4.9799 5.1920 5.1920 7.0838 7.0838 7.3427 7.3427 9.1548 9.1548 9.5012 9.5012 k = 0.4324 0.2171-0.2625 ( 5304 PWs) bands (ev): -21.1644 -21.1644 -21.1624 -21.1624 -8.4379 -8.4379 -8.0309 -8.0309 -7.8100 -7.8100 -7.3691 -7.3691 -6.3225 -6.3225 -5.9277 -5.9277 -5.7601 -5.7601 -5.4622 -5.4622 -5.0871 -5.0871 -4.5800 -4.5800 2.7712 2.7712 2.9321 2.9321 3.1409 3.1409 3.3289 3.3289 3.4105 3.4105 3.5480 3.5480 4.5562 4.5562 4.8068 4.8068 4.9674 4.9674 5.2050 5.2050 7.0068 7.0068 7.2695 7.2695 9.1661 9.1661 9.5279 9.5279 k = 0.4459 0.2238-0.2707 ( 5301 PWs) bands (ev): -21.1643 -21.1643 -21.1624 -21.1624 -8.4410 -8.4410 -8.0078 -8.0078 -7.8276 -7.8276 -7.3638 -7.3638 -6.3329 -6.3329 -5.9322 -5.9322 -5.7618 -5.7618 -5.4534 -5.4534 -5.0999 -5.0999 -4.5806 -4.5806 2.8222 2.8222 2.9826 2.9826 3.1249 3.1249 3.3305 3.3305 3.4052 3.4052 3.5574 3.5574 4.5522 4.5522 4.8090 4.8090 4.9590 4.9590 5.2173 5.2173 6.9403 6.9403 7.2072 7.2072 9.1766 9.1766 9.5480 9.5480 k = 0.4595 0.2306-0.2789 ( 5296 PWs) bands (ev): -21.1642 -21.1642 -21.1624 -21.1624 -8.4435 -8.4435 -7.9857 -7.9857 -7.8453 -7.8453 -7.3597 -7.3597 -6.3411 -6.3411 -5.9358 -5.9358 -5.7631 -5.7631 -5.4462 -5.4462 -5.1103 -5.1103 -4.5811 -4.5811 2.8684 2.8684 3.0249 3.0249 3.1077 3.1077 3.3285 3.3285 3.4008 3.4008 3.5639 3.5639 4.5498 4.5498 4.8103 4.8103 4.9541 4.9541 5.2281 5.2281 6.8863 6.8863 7.1570 7.1570 9.1857 9.1857 9.5623 9.5623 k = 0.4730 0.2374-0.2871 ( 5296 PWs) bands (ev): -21.1641 -21.1641 -21.1625 -21.1625 -8.4452 -8.4452 -7.9652 -7.9652 -7.8626 -7.8626 -7.3566 -7.3566 -6.3471 -6.3471 -5.9384 -5.9384 -5.7640 -5.7640 -5.4407 -5.4407 -5.1180 -5.1180 -4.5815 -4.5815 2.9082 2.9082 3.0571 3.0571 3.0900 3.0900 3.3249 3.3249 3.3974 3.3974 3.5679 3.5679 4.5484 4.5484 4.8110 4.8110 4.9517 4.9517 5.2365 5.2365 6.8463 6.8463 7.1202 7.1202 9.1927 9.1927 9.5717 9.5717 k = 0.4865 0.2442-0.2953 ( 5292 PWs) bands (ev): -21.1641 -21.1641 -21.1625 -21.1625 -8.4463 -8.4463 -7.9483 -7.9483 -7.8776 -7.8776 -7.3548 -7.3548 -6.3507 -6.3507 -5.9399 -5.9399 -5.7645 -5.7645 -5.4374 -5.4374 -5.1227 -5.1227 -4.5817 -4.5817 2.9380 2.9380 3.0709 3.0709 3.0808 3.0808 3.3216 3.3216 3.3951 3.3951 3.5700 3.5700 4.5477 4.5477 4.8114 4.8114 4.9508 4.9508 5.2418 5.2418 6.8217 6.8217 7.0976 7.0976 9.1971 9.1971 9.5771 9.5771 k = 0.5000 0.2510-0.3035 ( 5294 PWs) bands (ev): -21.1641 -21.1641 -21.1625 -21.1625 -8.4466 -8.4466 -7.9407 -7.9407 -7.8846 -7.8846 -7.3542 -7.3542 -6.3519 -6.3519 -5.9404 -5.9404 -5.7647 -5.7647 -5.4362 -5.4362 -5.1243 -5.1243 -4.5818 -4.5818 2.9499 2.9499 3.0652 3.0652 3.0864 3.0864 3.3203 3.3203 3.3943 3.3943 3.5706 3.5706 4.5475 4.5475 4.8115 4.8115 4.9506 4.9506 5.2437 5.2437 6.8134 6.8134 7.0900 7.0900 9.1986 9.1986 9.5788 9.5788 k = 0.5000 0.2510-0.3035 ( 5294 PWs) bands (ev): -21.1641 -21.1641 -21.1625 -21.1625 -8.4466 -8.4466 -7.9407 -7.9407 -7.8846 -7.8846 -7.3542 -7.3542 -6.3519 -6.3519 -5.9404 -5.9404 -5.7647 -5.7647 -5.4362 -5.4362 -5.1243 -5.1243 -4.5818 -4.5818 2.9499 2.9499 3.0652 3.0652 3.0864 3.0864 3.3203 3.3203 3.3943 3.3943 3.5706 3.5706 4.5475 4.5475 4.8115 4.8115 4.9506 4.9506 5.2437 5.2437 6.8134 6.8134 7.0900 7.0900 9.1986 9.1986 9.5788 9.5788 k = 0.5051 0.2535-0.2931 ( 5296 PWs) bands (ev): -21.1640 -21.1640 -21.1625 -21.1625 -8.4466 -8.4466 -7.9426 -7.9426 -7.8826 -7.8826 -7.3545 -7.3545 -6.3514 -6.3514 -5.9405 -5.9405 -5.7651 -5.7651 -5.4366 -5.4366 -5.1231 -5.1231 -4.5821 -4.5821 2.9462 2.9462 3.0674 3.0674 3.0863 3.0863 3.3205 3.3205 3.3939 3.3939 3.5706 3.5706 4.5479 4.5479 4.8116 4.8116 4.9508 4.9508 5.2437 5.2437 6.8147 6.8147 7.0911 7.0911 9.1989 9.1989 9.5781 9.5781 k = 0.5101 0.2560-0.2827 ( 5300 PWs) bands (ev): -21.1640 -21.1640 -21.1625 -21.1625 -8.4463 -8.4463 -7.9477 -7.9477 -7.8775 -7.8775 -7.3555 -7.3555 -6.3498 -6.3498 -5.9408 -5.9408 -5.7665 -5.7665 -5.4378 -5.4378 -5.1195 -5.1195 -4.5831 -4.5831 2.9361 2.9361 3.0726 3.0726 3.0865 3.0865 3.3210 3.3210 3.3926 3.3926 3.5705 3.5705 4.5491 4.5491 4.8120 4.8120 4.9517 4.9517 5.2437 5.2437 6.8187 6.8187 7.0943 7.0943 9.2000 9.2000 9.5761 9.5761 k = 0.5152 0.2586-0.2722 ( 5302 PWs) bands (ev): -21.1640 -21.1640 -21.1625 -21.1625 -8.4458 -8.4458 -7.9549 -7.9549 -7.8702 -7.8702 -7.3572 -7.3572 -6.3470 -6.3470 -5.9413 -5.9413 -5.7688 -5.7688 -5.4397 -5.4397 -5.1137 -5.1137 -4.5848 -4.5848 2.9213 2.9213 3.0757 3.0757 3.0901 3.0901 3.3219 3.3219 3.3906 3.3906 3.5703 3.5703 4.5512 4.5512 4.8126 4.8126 4.9531 4.9531 5.2438 5.2438 6.8252 6.8252 7.0995 7.0995 9.2017 9.2017 9.5729 9.5729 k = 0.5152 0.2586-0.2722 ( 5302 PWs) bands (ev): -21.1640 -21.1640 -21.1625 -21.1625 -8.4458 -8.4458 -7.9549 -7.9549 -7.8702 -7.8702 -7.3572 -7.3572 -6.3470 -6.3470 -5.9413 -5.9413 -5.7688 -5.7688 -5.4397 -5.4397 -5.1137 -5.1137 -4.5848 -4.5848 2.9213 2.9213 3.0757 3.0757 3.0901 3.0901 3.3219 3.3219 3.3906 3.3906 3.5703 3.5703 4.5512 4.5512 4.8126 4.8126 4.9531 4.9531 5.2438 5.2438 6.8252 6.8252 7.0995 7.0995 9.2017 9.2017 9.5729 9.5729 k = 0.5143 0.2582-0.2554 ( 5310 PWs) bands (ev): -21.1640 -21.1640 -21.1626 -21.1626 -8.4440 -8.4440 -7.9685 -7.9685 -7.8564 -7.8564 -7.3603 -7.3603 -6.3437 -6.3437 -5.9421 -5.9421 -5.7720 -5.7720 -5.4433 -5.4433 -5.1053 -5.1053 -4.5879 -4.5879 2.9179 2.9179 3.0746 3.0746 3.0933 3.0933 3.3213 3.3213 3.3891 3.3891 3.5656 3.5656 4.5573 4.5573 4.8158 4.8158 4.9601 4.9601 5.2472 5.2472 6.8261 6.8261 7.0975 7.0975 9.2081 9.2081 9.5727 9.5727 k = 0.5135 0.2577-0.2385 ( 5298 PWs) bands (ev): -21.1639 -21.1639 -21.1626 -21.1626 -8.4411 -8.4411 -7.9847 -7.9847 -7.8404 -7.8404 -7.3647 -7.3647 -6.3391 -6.3391 -5.9433 -5.9433 -5.7755 -5.7755 -5.4485 -5.4485 -5.0943 -5.0943 -4.5920 -4.5920 2.9150 2.9150 3.0719 3.0719 3.0959 3.0959 3.3202 3.3202 3.3881 3.3881 3.5583 3.5583 4.5660 4.5660 4.8203 4.8203 4.9707 4.9707 5.2517 5.2517 6.8279 6.8279 7.0950 7.0950 9.2168 9.2168 9.5732 9.5732 k = 0.5126 0.2573-0.2217 ( 5295 PWs) bands (ev): -21.1639 -21.1639 -21.1626 -21.1626 -8.4373 -8.4373 -8.0021 -8.0021 -7.8233 -7.8233 -7.3704 -7.3704 -6.3333 -6.3333 -5.9452 -5.9452 -5.7789 -5.7789 -5.4551 -5.4551 -5.0810 -5.0810 -4.5971 -4.5971 2.9125 2.9125 3.0676 3.0676 3.0981 3.0981 3.3186 3.3186 3.3877 3.3877 3.5488 3.5488 4.5771 4.5771 4.8258 4.8258 4.9845 4.9845 5.2572 5.2572 6.8306 6.8306 7.0920 7.0920 9.2278 9.2278 9.5745 9.5745 k = 0.5118 0.2569-0.2048 ( 5296 PWs) bands (ev): -21.1639 -21.1639 -21.1627 -21.1627 -8.4324 -8.4324 -8.0201 -8.0201 -7.8057 -7.8057 -7.3773 -7.3773 -6.3263 -6.3263 -5.9483 -5.9483 -5.7815 -5.7815 -5.4628 -5.4628 -5.0658 -5.0658 -4.6032 -4.6032 2.9105 2.9105 3.0621 3.0621 3.0999 3.0999 3.3161 3.3161 3.3877 3.3877 3.5376 3.5376 4.5904 4.5904 4.8319 4.8319 5.0014 5.0014 5.2635 5.2635 6.8343 6.8343 7.0884 7.0884 9.2410 9.2410 9.5766 9.5766 k = 0.5109 0.2565-0.1879 ( 5292 PWs) bands (ev): -21.1638 -21.1638 -21.1627 -21.1627 -8.4267 -8.4267 -8.0386 -8.0386 -7.7880 -7.7880 -7.3853 -7.3853 -6.3183 -6.3183 -5.9529 -5.9529 -5.7828 -5.7828 -5.4717 -5.4717 -5.0490 -5.0490 -4.6103 -4.6103 2.9091 2.9091 3.0554 3.0554 3.1014 3.1014 3.3124 3.3124 3.3883 3.3883 3.5253 3.5253 4.6055 4.6055 4.8382 4.8382 5.0209 5.0209 5.2704 5.2704 6.8388 6.8388 7.0843 7.0843 9.2563 9.2563 9.5797 9.5797 k = 0.5101 0.2560-0.1711 ( 5286 PWs) bands (ev): -21.1638 -21.1638 -21.1628 -21.1628 -8.4199 -8.4199 -8.0572 -8.0572 -7.7701 -7.7701 -7.3944 -7.3944 -6.3092 -6.3092 -5.9594 -5.9594 -5.7822 -5.7822 -5.4815 -5.4815 -5.0309 -5.0309 -4.6185 -4.6185 2.9082 2.9082 3.0478 3.0478 3.1027 3.1027 3.3074 3.3074 3.3895 3.3895 3.5124 3.5124 4.6223 4.6223 4.8444 4.8444 5.0427 5.0427 5.2777 5.2777 6.8443 6.8443 7.0794 7.0794 9.2736 9.2736 9.5837 9.5837 k = 0.5093 0.2556-0.1542 ( 5286 PWs) bands (ev): -21.1637 -21.1637 -21.1628 -21.1628 -8.4122 -8.4122 -8.0760 -8.0760 -7.7521 -7.7521 -7.4044 -7.4044 -6.2991 -6.2991 -5.9680 -5.9680 -5.7796 -5.7796 -5.4923 -5.4923 -5.0117 -5.0117 -4.6276 -4.6276 2.9080 2.9080 3.0395 3.0395 3.1040 3.1040 3.3008 3.3008 3.3912 3.3912 3.4997 3.4997 4.6404 4.6404 4.8503 4.8503 5.0662 5.0662 5.2850 5.2850 6.8506 6.8506 7.0739 7.0739 9.2926 9.2926 9.5884 9.5884 k = 0.5084 0.2552-0.1373 ( 5296 PWs) bands (ev): -21.1637 -21.1637 -21.1628 -21.1628 -8.4036 -8.4036 -8.0948 -8.0948 -7.7342 -7.7342 -7.4154 -7.4154 -6.2880 -6.2880 -5.9785 -5.9785 -5.7748 -5.7748 -5.5039 -5.5039 -4.9919 -4.9919 -4.6377 -4.6377 2.9084 2.9084 3.0308 3.0308 3.1054 3.1054 3.2924 3.2924 3.3933 3.3933 3.4876 3.4876 4.6594 4.6594 4.8557 4.8557 5.0908 5.0908 5.2923 5.2923 6.8578 6.8578 7.0676 7.0676 9.3134 9.3134 9.5936 9.5936 k = 0.5076 0.2548-0.1205 ( 5296 PWs) bands (ev): -21.1637 -21.1637 -21.1629 -21.1629 -8.3942 -8.3942 -8.1137 -8.1137 -7.7164 -7.7164 -7.4273 -7.4273 -6.2761 -6.2761 -5.9909 -5.9909 -5.7678 -5.7678 -5.5162 -5.5162 -4.9714 -4.9714 -4.6487 -4.6487 2.9095 2.9095 3.0218 3.0218 3.1072 3.1072 3.2823 3.2823 3.3957 3.3957 3.4764 3.4764 4.6791 4.6791 4.8602 4.8602 5.1160 5.1160 5.2990 5.2990 6.8659 6.8659 7.0606 7.0606 9.3354 9.3354 9.5983 9.5983 k = 0.5067 0.2543-0.1036 ( 5296 PWs) bands (ev): -21.1636 -21.1636 -21.1629 -21.1629 -8.3838 -8.3838 -8.1325 -8.1325 -7.6985 -7.6985 -7.4399 -7.4399 -6.2634 -6.2634 -6.0048 -6.0048 -5.7590 -5.7590 -5.5292 -5.5292 -4.9506 -4.9506 -4.6607 -4.6607 2.9113 2.9113 3.0127 3.0127 3.1094 3.1094 3.2707 3.2707 3.3983 3.3983 3.4665 3.4665 4.6991 4.6991 4.8636 4.8636 5.1412 5.1412 5.3050 5.3050 6.8747 6.8747 7.0528 7.0528 9.3585 9.3585 9.5998 9.5998 k = 0.5059 0.2539-0.0868 ( 5296 PWs) bands (ev): -21.1636 -21.1636 -21.1630 -21.1630 -8.3727 -8.3727 -8.1511 -8.1511 -7.6808 -7.6808 -7.4532 -7.4532 -6.2499 -6.2499 -6.0198 -6.0198 -5.7486 -5.7486 -5.5428 -5.5428 -4.9296 -4.9296 -4.6737 -4.6737 2.9137 2.9137 3.0036 3.0036 3.1123 3.1123 3.2577 3.2577 3.4011 3.4011 3.4579 3.4579 4.7190 4.7190 4.8658 4.8658 5.1659 5.1659 5.3100 5.3100 6.8844 6.8844 7.0443 7.0443 9.3820 9.3820 9.5922 9.5922 k = 0.5051 0.2535-0.0699 ( 5302 PWs) bands (ev): -21.1635 -21.1635 -21.1630 -21.1630 -8.3607 -8.3607 -8.1696 -8.1696 -7.6632 -7.6632 -7.4671 -7.4671 -6.2358 -6.2358 -6.0358 -6.0358 -5.7368 -5.7368 -5.5570 -5.5570 -4.9085 -4.9085 -4.6875 -4.6875 2.9167 2.9167 2.9946 2.9946 3.1160 3.1160 3.2438 3.2438 3.4040 3.4040 3.4505 3.4505 4.7387 4.7387 4.8666 4.8666 5.1897 5.1897 5.3136 5.3136 6.8948 6.8948 7.0349 7.0349 9.4053 9.4053 9.5727 9.5727 k = 0.5042 0.2531-0.0530 ( 5298 PWs) bands (ev): -21.1635 -21.1635 -21.1630 -21.1630 -8.3480 -8.3480 -8.1879 -8.1879 -7.6456 -7.6456 -7.4815 -7.4815 -6.2209 -6.2209 -6.0525 -6.0525 -5.7239 -5.7239 -5.5717 -5.5717 -4.8876 -4.8876 -4.7022 -4.7022 2.9204 2.9204 2.9858 2.9858 3.1207 3.1207 3.2293 3.2293 3.4070 3.4070 3.4442 3.4442 4.7576 4.7576 4.8658 4.8658 5.2122 5.2122 5.3157 5.3157 6.9058 6.9058 7.0249 7.0249 9.4272 9.4272 9.5486 9.5486 k = 0.5034 0.2527-0.0362 ( 5300 PWs) bands (ev): -21.1634 -21.1634 -21.1631 -21.1631 -8.3345 -8.3345 -8.2059 -8.2059 -7.6282 -7.6282 -7.4965 -7.4965 -6.2055 -6.2055 -6.0696 -6.0696 -5.7101 -5.7101 -5.5868 -5.5868 -4.8668 -4.8668 -4.7177 -4.7177 2.9247 2.9247 2.9774 2.9774 3.1264 3.1264 3.2147 3.2147 3.4100 3.4100 3.4387 3.4387 4.7757 4.7757 4.8632 4.8632 5.2329 5.2329 5.3158 5.3158 6.9173 6.9173 7.0142 7.0142 9.4460 9.4460 9.5262 9.5262 k = 0.5025 0.2522-0.0193 ( 5297 PWs) bands (ev): -21.1634 -21.1634 -21.1631 -21.1631 -8.3204 -8.3204 -8.2236 -8.2236 -7.6109 -7.6109 -7.5119 -7.5119 -6.1896 -6.1896 -6.0870 -6.0870 -5.6956 -5.6956 -5.6022 -5.6022 -4.8463 -4.8463 -4.7341 -4.7341 2.9296 2.9296 2.9692 2.9692 3.1334 3.1334 3.2004 3.2004 3.4131 3.4131 3.4340 3.4340 4.7925 4.7925 4.8588 4.8588 5.2516 5.2516 5.3139 5.3139 6.9293 6.9293 7.0029 7.0029 9.4602 9.4602 9.5078 9.5078 k = 0.5017 0.2518-0.0025 ( 5299 PWs) bands (ev): -21.1634 -21.1634 -21.1632 -21.1632 -8.3056 -8.3056 -8.2409 -8.2409 -7.5938 -7.5938 -7.5277 -7.5277 -6.1732 -6.1732 -6.1045 -6.1045 -5.6805 -5.6805 -5.6179 -5.6179 -4.8262 -4.8262 -4.7512 -4.7512 2.9350 2.9350 2.9615 2.9615 3.1416 3.1416 3.1866 3.1866 3.4162 3.4162 3.4299 3.4299 4.8080 4.8080 4.8524 4.8524 5.2681 5.2681 5.3096 5.3096 6.9416 6.9416 6.9911 6.9911 9.4691 9.4691 9.4940 9.4940 k = 0.5008 0.2514 0.0144 ( 5304 PWs) bands (ev): -21.1633 -21.1633 -21.1632 -21.1632 -8.2902 -8.2902 -8.2579 -8.2579 -7.5769 -7.5769 -7.5438 -7.5438 -6.1564 -6.1564 -6.1220 -6.1220 -5.6651 -5.6651 -5.6336 -5.6336 -4.8066 -4.8066 -4.7690 -4.7690 2.9409 2.9409 2.9542 2.9542 3.1511 3.1511 3.1737 3.1737 3.4193 3.4193 3.4261 3.4261 4.8218 4.8218 4.8441 4.8441 5.2823 5.2823 5.3030 5.3030 6.9541 6.9541 6.9790 6.9790 9.4743 9.4743 9.4846 9.4846 k = 0.5000 0.2510 0.0313 ( 5312 PWs) bands (ev): -21.1633 -21.1633 -21.1633 -21.1633 -8.2743 -8.2743 -8.2743 -8.2743 -7.5603 -7.5603 -7.5602 -7.5602 -6.1393 -6.1393 -6.1393 -6.1393 -5.6494 -5.6494 -5.6494 -5.6494 -4.7875 -4.7875 -4.7875 -4.7875 2.9473 2.9473 2.9473 2.9473 3.1618 3.1618 3.1618 3.1618 3.4226 3.4226 3.4226 3.4226 4.8339 4.8339 4.8339 4.8339 5.2939 5.2939 5.2939 5.2939 6.9665 6.9665 6.9666 6.9666 9.4786 9.4786 9.4786 9.4786 k = 0.5000 0.2510 0.0313 ( 5312 PWs) bands (ev): -21.1633 -21.1633 -21.1633 -21.1633 -8.2743 -8.2743 -8.2743 -8.2743 -7.5603 -7.5603 -7.5602 -7.5602 -6.1393 -6.1393 -6.1393 -6.1393 -5.6494 -5.6494 -5.6494 -5.6494 -4.7875 -4.7875 -4.7875 -4.7875 2.9473 2.9473 2.9473 2.9473 3.1618 3.1618 3.1618 3.1618 3.4226 3.4226 3.4226 3.4226 4.8339 4.8339 4.8339 4.8339 5.2939 5.2939 5.2939 5.2939 6.9665 6.9665 6.9666 6.9666 9.4786 9.4786 9.4786 9.4786 k = 0.5078 0.2355 0.0313 ( 5302 PWs) bands (ev): -21.1633 -21.1633 -21.1633 -21.1633 -8.2745 -8.2745 -8.2742 -8.2742 -7.5624 -7.5624 -7.5582 -7.5582 -6.1491 -6.1491 -6.1295 -6.1295 -5.6538 -5.6538 -5.6452 -5.6452 -4.7913 -4.7913 -4.7833 -4.7833 2.9457 2.9457 2.9479 2.9479 3.1531 3.1531 3.1665 3.1665 3.4193 3.4193 3.4258 3.4258 4.8347 4.8347 4.8356 4.8356 5.2902 5.2902 5.2956 5.2956 6.9681 6.9681 6.9699 6.9699 9.4776 9.4776 9.4801 9.4801 k = 0.5155 0.2201 0.0313 ( 5292 PWs) bands (ev): -21.1632 -21.1632 -21.1632 -21.1632 -8.2747 -8.2747 -8.2740 -8.2740 -7.5647 -7.5647 -7.5564 -7.5564 -6.1586 -6.1586 -6.1196 -6.1196 -5.6584 -5.6584 -5.6413 -5.6413 -4.7949 -4.7949 -4.7788 -4.7788 2.9429 2.9429 2.9473 2.9473 3.1409 3.1409 3.1670 3.1670 3.4160 3.4160 3.4284 3.4284 4.8379 4.8379 4.8398 4.8398 5.2847 5.2847 5.2954 5.2954 6.9745 6.9745 6.9781 6.9781 9.4762 9.4762 9.4824 9.4824 k = 0.5233 0.2046 0.0313 ( 5288 PWs) bands (ev): -21.1632 -21.1632 -21.1632 -21.1632 -8.2749 -8.2749 -8.2738 -8.2738 -7.5671 -7.5671 -7.5549 -7.5549 -6.1676 -6.1676 -6.1098 -6.1098 -5.6630 -5.6630 -5.6378 -5.6378 -4.7982 -4.7982 -4.7741 -4.7741 2.9387 2.9387 2.9454 2.9454 3.1257 3.1257 3.1638 3.1638 3.4126 3.4126 3.4302 3.4302 4.8433 4.8433 4.8462 4.8462 5.2776 5.2776 5.2935 5.2935 6.9858 6.9858 6.9909 6.9909 9.4725 9.4725 9.4849 9.4849 k = 0.5310 0.1892 0.0313 ( 5304 PWs) bands (ev): -21.1631 -21.1631 -21.1631 -21.1631 -8.2753 -8.2753 -8.2737 -8.2737 -7.5694 -7.5694 -7.5537 -7.5537 -6.1762 -6.1762 -6.1003 -6.1003 -5.6676 -5.6676 -5.6349 -5.6349 -4.8012 -4.8012 -4.7690 -4.7690 2.9329 2.9329 2.9417 2.9417 3.1084 3.1084 3.1574 3.1574 3.4091 3.4091 3.4308 3.4308 4.8507 4.8507 4.8546 4.8546 5.2690 5.2690 5.2901 5.2901 7.0017 7.0017 7.0083 7.0083 9.4645 9.4645 9.4860 9.4860 k = 0.5388 0.1737 0.0313 ( 5300 PWs) bands (ev): -21.1630 -21.1630 -21.1630 -21.1630 -8.2757 -8.2757 -8.2734 -8.2734 -7.5717 -7.5717 -7.5528 -7.5528 -6.1842 -6.1842 -6.0911 -6.0911 -5.6721 -5.6721 -5.6325 -5.6325 -4.8038 -4.8038 -4.7635 -4.7635 2.9249 2.9249 2.9355 2.9355 3.0903 3.0903 3.1486 3.1486 3.4052 3.4052 3.4299 3.4299 4.8597 4.8597 4.8648 4.8648 5.2593 5.2593 5.2855 5.2855 7.0222 7.0222 7.0301 7.0301 9.4519 9.4519 9.4839 9.4839 k = 0.5465 0.1583 0.0313 ( 5296 PWs) bands (ev): -21.1629 -21.1629 -21.1629 -21.1629 -8.2763 -8.2763 -8.2732 -8.2732 -7.5739 -7.5739 -7.5523 -7.5523 -6.1914 -6.1914 -6.0824 -6.0824 -5.6765 -5.6765 -5.6309 -5.6309 -4.8060 -4.8060 -4.7577 -4.7577 2.9144 2.9144 2.9259 2.9259 3.0725 3.0725 3.1382 3.1382 3.4007 3.4007 3.4275 3.4275 4.8698 4.8698 4.8762 4.8762 5.2491 5.2491 5.2802 5.2802 7.0470 7.0470 7.0560 7.0560 9.4367 9.4367 9.4775 9.4775 k = 0.5543 0.1428 0.0313 ( 5298 PWs) bands (ev): -21.1628 -21.1628 -21.1628 -21.1628 -8.2770 -8.2770 -8.2730 -8.2730 -7.5759 -7.5759 -7.5522 -7.5522 -6.1977 -6.1977 -6.0741 -6.0741 -5.6808 -5.6808 -5.6301 -5.6301 -4.8078 -4.8078 -4.7516 -4.7516 2.9008 2.9008 2.9119 2.9119 3.0564 3.0564 3.1273 3.1273 3.3954 3.3954 3.4236 3.4236 4.8806 4.8806 4.8883 4.8883 5.2389 5.2389 5.2747 5.2747 7.0759 7.0759 7.0857 7.0857 9.4218 9.4218 9.4682 9.4682 k = 0.5620 0.1274 0.0313 ( 5298 PWs) bands (ev): -21.1626 -21.1626 -21.1626 -21.1626 -8.2780 -8.2780 -8.2727 -8.2727 -7.5777 -7.5777 -7.5524 -7.5524 -6.2031 -6.2031 -6.0663 -6.0663 -5.6849 -5.6849 -5.6301 -5.6301 -4.8091 -4.8091 -4.7451 -4.7451 2.8838 2.8838 2.8928 2.8928 3.0428 3.0428 3.1165 3.1165 3.3893 3.3893 3.4180 3.4180 4.8916 4.8916 4.9005 4.9005 5.2291 5.2291 5.2694 5.2694 7.1087 7.1087 7.1192 7.1192 9.4092 9.4092 9.4586 9.4586 k = 0.5698 0.1119 0.0313 ( 5294 PWs) bands (ev): -21.1625 -21.1625 -21.1625 -21.1625 -8.2791 -8.2791 -8.2724 -8.2724 -7.5791 -7.5791 -7.5531 -7.5531 -6.2075 -6.2075 -6.0590 -6.0590 -5.6890 -5.6890 -5.6310 -5.6310 -4.8099 -4.8099 -4.7381 -4.7381 2.8632 2.8632 2.8687 2.8687 3.0320 3.0320 3.1062 3.1062 3.3823 3.3823 3.4111 3.4111 4.9021 4.9021 4.9123 4.9123 5.2204 5.2204 5.2649 5.2649 7.1452 7.1452 7.1561 7.1561 9.4004 9.4004 9.4510 9.4510 k = 0.5775 0.0965 0.0313 ( 5294 PWs) bands (ev): -21.1623 -21.1623 -21.1623 -21.1623 -8.2805 -8.2805 -8.2721 -8.2721 -7.5802 -7.5802 -7.5541 -7.5541 -6.2108 -6.2108 -6.0523 -6.0523 -5.6931 -5.6931 -5.6329 -5.6329 -4.8101 -4.8101 -4.7308 -4.7308 2.8391 2.8391 2.8401 2.8401 3.0234 3.0234 3.0965 3.0965 3.3747 3.3747 3.4030 3.4030 4.9117 4.9117 4.9229 4.9229 5.2134 5.2134 5.2614 5.2614 7.1851 7.1851 7.1963 7.1963 9.3960 9.3960 9.4471 9.4471 k = 0.5853 0.0810 0.0313 ( 5298 PWs) bands (ev): -21.1621 -21.1621 -21.1621 -21.1621 -8.2822 -8.2822 -8.2719 -8.2719 -7.5809 -7.5809 -7.5556 -7.5556 -6.2128 -6.2128 -6.0460 -6.0460 -5.6971 -5.6971 -5.6357 -5.6357 -4.8096 -4.8096 -4.7231 -4.7231 2.8079 2.8079 2.8116 2.8116 3.0162 3.0162 3.0873 3.0873 3.3666 3.3666 3.3939 3.3939 4.9201 4.9201 4.9318 4.9318 5.2085 5.2085 5.2594 5.2594 7.2284 7.2284 7.2396 7.2396 9.3968 9.3968 9.4476 9.4476 k = 0.5931 0.0656 0.0313 ( 5302 PWs) bands (ev): -21.1619 -21.1619 -21.1619 -21.1619 -8.2842 -8.2842 -8.2717 -8.2717 -7.5812 -7.5812 -7.5574 -7.5574 -6.2137 -6.2137 -6.0403 -6.0403 -5.7013 -5.7013 -5.6395 -5.6395 -4.8085 -4.8085 -4.7151 -4.7151 2.7728 2.7728 2.7811 2.7811 3.0098 3.0098 3.0783 3.0783 3.3583 3.3583 3.3842 3.3842 4.9269 4.9269 4.9387 4.9387 5.2060 5.2060 5.2589 5.2589 7.2749 7.2749 7.2859 7.2859 9.4029 9.4029 9.4532 9.4532 k = 0.6008 0.0501 0.0313 ( 5304 PWs) bands (ev): -21.1617 -21.1617 -21.1617 -21.1617 -8.2865 -8.2865 -8.2715 -8.2715 -7.5810 -7.5810 -7.5596 -7.5596 -6.2133 -6.2133 -6.0349 -6.0349 -5.7057 -5.7057 -5.6443 -5.6443 -4.8067 -4.8067 -4.7067 -4.7067 2.7356 2.7356 2.7479 2.7479 3.0034 3.0034 3.0692 3.0692 3.3502 3.3502 3.3742 3.3742 4.9323 4.9323 4.9433 4.9433 5.2060 5.2060 5.2600 5.2600 7.3243 7.3243 7.3349 7.3349 9.4147 9.4147 9.4641 9.4641 k = 0.6086 0.0347 0.0313 ( 5300 PWs) bands (ev): -21.1615 -21.1615 -21.1615 -21.1615 -8.2891 -8.2891 -8.2713 -8.2713 -7.5803 -7.5803 -7.5622 -7.5622 -6.2116 -6.2116 -6.0298 -6.0298 -5.7103 -5.7103 -5.6500 -5.6500 -4.8041 -4.8041 -4.6980 -4.6980 2.6965 2.6965 2.7124 2.7124 2.9966 2.9966 3.0597 3.0597 3.3424 3.3424 3.3640 3.3640 4.9362 4.9362 4.9459 4.9459 5.2083 5.2083 5.2624 5.2624 7.3766 7.3766 7.3866 7.3866 9.4322 9.4322 9.4806 9.4806 k = 0.6163 0.0192 0.0313 ( 5304 PWs) bands (ev): -21.1613 -21.1613 -21.1613 -21.1613 -8.2920 -8.2920 -8.2713 -8.2713 -7.5792 -7.5792 -7.5650 -7.5650 -6.2086 -6.2086 -6.0250 -6.0250 -5.7152 -5.7152 -5.6565 -5.6565 -4.8008 -4.8008 -4.6890 -4.6890 2.6560 2.6560 2.6748 2.6748 2.9893 2.9893 3.0494 3.0494 3.3353 3.3353 3.3540 3.3540 4.9390 4.9390 4.9466 4.9466 5.2127 5.2127 5.2659 5.2659 7.4316 7.4316 7.4408 7.4408 9.4554 9.4554 9.5027 9.5027 k = 0.6241 0.0038 0.0313 ( 5312 PWs) bands (ev): -21.1611 -21.1611 -21.1611 -21.1611 -8.2953 -8.2953 -8.2713 -8.2713 -7.5776 -7.5776 -7.5682 -7.5682 -6.2043 -6.2043 -6.0203 -6.0203 -5.7205 -5.7205 -5.6639 -5.6639 -4.7966 -4.7966 -4.6799 -4.6799 2.6143 2.6143 2.6355 2.6355 2.9810 2.9810 3.0380 3.0380 3.3290 3.3290 3.3445 3.3445 4.9410 4.9410 4.9460 4.9460 5.2185 5.2185 5.2701 5.2701 7.4891 7.4891 7.4974 7.4974 9.4842 9.4842 9.5302 9.5302 k = 0.6318-0.0117 0.0313 ( 5314 PWs) bands (ev): -21.1609 -21.1609 -21.1609 -21.1609 -8.2988 -8.2988 -8.2714 -8.2714 -7.5756 -7.5756 -7.5716 -7.5716 -6.1987 -6.1987 -6.0157 -6.0157 -5.7262 -5.7262 -5.6720 -5.6720 -4.7917 -4.7917 -4.6706 -4.6706 2.5715 2.5715 2.5948 2.5948 2.9719 2.9719 3.0256 3.0256 3.3239 3.3239 3.3356 3.3356 4.9425 4.9425 4.9445 4.9445 5.2253 5.2253 5.2747 5.2747 7.5491 7.5491 7.5563 7.5563 9.5183 9.5183 9.5631 9.5631 k = 0.6396-0.0271 0.0313 ( 5314 PWs) bands (ev): -21.1607 -21.1607 -21.1607 -21.1607 -8.3027 -8.3027 -8.2716 -8.2716 -7.5753 -7.5753 -7.5731 -7.5731 -6.1918 -6.1918 -6.0110 -6.0110 -5.7324 -5.7324 -5.6807 -5.6807 -4.7861 -4.7861 -4.6612 -4.6612 2.5280 2.5280 2.5528 2.5528 2.9616 2.9616 3.0119 3.0119 3.3199 3.3199 3.3274 3.3274 4.9425 4.9425 4.9438 4.9438 5.2328 5.2328 5.2793 5.2793 7.6114 7.6114 7.6173 7.6173 9.5576 9.5576 9.6009 9.6009 k = 0.6473-0.0426 0.0313 ( 5314 PWs) bands (ev): -21.1605 -21.1605 -21.1605 -21.1605 -8.3068 -8.3068 -8.2719 -8.2719 -7.5791 -7.5791 -7.5702 -7.5702 -6.1836 -6.1836 -6.0062 -6.0062 -5.7389 -5.7389 -5.6900 -5.6900 -4.7797 -4.7797 -4.6517 -4.6517 2.4837 2.4837 2.5097 2.5097 2.9504 2.9504 2.9970 2.9970 3.3171 3.3171 3.3202 3.3202 4.9403 4.9403 4.9453 4.9453 5.2406 5.2406 5.2837 5.2837 7.6757 7.6757 7.6802 7.6802 9.6014 9.6014 9.6433 9.6433 k = 0.6551-0.0580 0.0313 ( 5308 PWs) bands (ev): -21.1603 -21.1603 -21.1603 -21.1603 -8.3111 -8.3111 -8.2723 -8.2723 -7.5832 -7.5832 -7.5669 -7.5669 -6.1741 -6.1741 -6.0013 -6.0013 -5.7460 -5.7460 -5.6998 -5.6998 -4.7727 -4.7727 -4.6423 -4.6423 2.4389 2.4389 2.4658 2.4658 2.9382 2.9382 2.9809 2.9809 3.3139 3.3139 3.3157 3.3157 4.9382 4.9382 4.9470 4.9470 5.2485 5.2485 5.2879 5.2879 7.7420 7.7420 7.7450 7.7450 9.6493 9.6493 9.6894 9.6894 k = 0.6628-0.0735 0.0313 ( 5306 PWs) bands (ev): -21.1601 -21.1601 -21.1601 -21.1601 -8.3157 -8.3157 -8.2728 -8.2728 -7.5874 -7.5874 -7.5634 -7.5634 -6.1635 -6.1635 -5.9961 -5.9961 -5.7534 -5.7534 -5.7100 -5.7100 -4.7651 -4.7651 -4.6329 -4.6329 2.3936 2.3936 2.4212 2.4212 2.9251 2.9251 2.9638 2.9638 3.3087 3.3087 3.3155 3.3155 4.9362 4.9362 4.9491 4.9491 5.2564 5.2564 5.2917 5.2917 7.8099 7.8099 7.8112 7.8112 9.7001 9.7001 9.7384 9.7384 k = 0.6706-0.0889 0.0313 ( 5306 PWs) bands (ev): -21.1600 -21.1600 -21.1599 -21.1599 -8.3204 -8.3204 -8.2734 -8.2734 -7.5918 -7.5918 -7.5595 -7.5595 -6.1516 -6.1516 -5.9906 -5.9906 -5.7611 -5.7611 -5.7204 -5.7204 -4.7569 -4.7569 -4.6237 -4.6237 2.3481 2.3481 2.3761 2.3761 2.9112 2.9112 2.9458 2.9458 3.3046 3.3046 3.3166 3.3166 4.9343 4.9343 4.9515 4.9515 5.2644 5.2644 5.2952 5.2952 7.8789 7.8789 7.8794 7.8794 9.7526 9.7526 9.7886 9.7886 k = 0.6784-0.1044 0.0313 ( 5302 PWs) bands (ev): -21.1598 -21.1598 -21.1598 -21.1598 -8.3252 -8.3252 -8.2742 -8.2742 -7.5962 -7.5962 -7.5555 -7.5555 -6.1387 -6.1387 -5.9847 -5.9847 -5.7691 -5.7691 -5.7310 -5.7310 -4.7482 -4.7482 -4.6148 -4.6148 2.3023 2.3023 2.3306 2.3306 2.8966 2.8966 2.9269 2.9269 3.3015 3.3015 3.3190 3.3190 4.9325 4.9325 4.9544 4.9544 5.2725 5.2725 5.2983 5.2983 7.9477 7.9477 7.9501 7.9501 9.8046 9.8046 9.8378 9.8378 k = 0.6861-0.1198 0.0313 ( 5310 PWs) bands (ev): -21.1597 -21.1597 -21.1597 -21.1597 -8.3302 -8.3302 -8.2750 -8.2750 -7.6008 -7.6008 -7.5514 -7.5514 -6.1247 -6.1247 -5.9784 -5.9784 -5.7773 -5.7773 -5.7416 -5.7416 -4.7392 -4.7392 -4.6061 -4.6061 2.2565 2.2565 2.2850 2.2850 2.8816 2.8816 2.9074 2.9074 3.2996 3.2996 3.3225 3.3225 4.9307 4.9307 4.9574 4.9574 5.2807 5.2807 5.3014 5.3014 8.0175 8.0175 8.0218 8.0218 9.8527 9.8527 9.8822 9.8822 k = 0.6939-0.1353 0.0313 ( 5312 PWs) bands (ev): -21.1596 -21.1596 -21.1596 -21.1596 -8.3352 -8.3352 -8.2759 -8.2759 -7.6054 -7.6054 -7.5472 -7.5472 -6.1097 -6.1097 -5.9717 -5.9717 -5.7857 -5.7857 -5.7522 -5.7522 -4.7298 -4.7298 -4.5977 -4.5977 2.2107 2.2107 2.2392 2.2392 2.8662 2.8662 2.8875 2.8875 3.2987 3.2987 3.3271 3.3271 4.9289 4.9289 4.9606 4.9606 5.2892 5.2892 5.3044 5.3044 8.0880 8.0880 8.0944 8.0944 9.8923 9.8923 9.9171 9.9171 k = 0.7016-0.1507 0.0313 ( 5310 PWs) bands (ev): -21.1595 -21.1595 -21.1595 -21.1595 -8.3403 -8.3403 -8.2769 -8.2769 -7.6101 -7.6101 -7.5430 -7.5430 -6.0938 -6.0938 -5.9645 -5.9645 -5.7940 -5.7940 -5.7626 -5.7626 -4.7201 -4.7201 -4.5896 -4.5896 2.1650 2.1650 2.1936 2.1936 2.8506 2.8506 2.8672 2.8672 3.2989 3.2989 3.3329 3.3329 4.9268 4.9268 4.9637 4.9637 5.2981 5.2981 5.3076 5.3076 8.1590 8.1590 8.1674 8.1674 9.9182 9.9182 9.9382 9.9382 k = 0.7094-0.1662 0.0313 ( 5304 PWs) bands (ev): -21.1594 -21.1594 -21.1594 -21.1594 -8.3454 -8.3454 -8.2781 -8.2781 -7.6148 -7.6148 -7.5389 -7.5389 -6.0770 -6.0770 -5.9569 -5.9569 -5.8022 -5.8022 -5.7728 -5.7728 -4.7103 -4.7103 -4.5820 -4.5820 2.1195 2.1195 2.1481 2.1481 2.8350 2.8350 2.8469 2.8469 3.3000 3.3000 3.3397 3.3397 4.9245 4.9245 4.9667 4.9667 5.3074 5.3074 5.3110 5.3110 8.2303 8.2303 8.2407 8.2407 9.9277 9.9277 9.9436 9.9436 k = 0.2906-0.5790 0.3348 ( 5304 PWs) bands (ev): -21.1594 -21.1594 -21.1594 -21.1594 -8.3454 -8.3454 -8.2781 -8.2781 -7.6148 -7.6148 -7.5389 -7.5389 -6.0770 -6.0770 -5.9569 -5.9569 -5.8022 -5.8022 -5.7728 -5.7728 -4.7103 -4.7103 -4.5820 -4.5820 2.1195 2.1195 2.1481 2.1481 2.8350 2.8350 2.8469 2.8469 3.3000 3.3000 3.3397 3.3397 4.9245 4.9245 4.9667 4.9667 5.3074 5.3074 5.3110 5.3110 8.2303 8.2303 8.2407 8.2407 9.9277 9.9277 9.9436 9.9436 k = 0.2830-0.5638 0.3348 ( 5304 PWs) bands (ev): -21.1594 -21.1594 -21.1593 -21.1593 -8.3503 -8.3503 -8.2793 -8.2793 -7.6194 -7.6194 -7.5350 -7.5350 -6.0597 -6.0597 -5.9490 -5.9490 -5.8102 -5.8102 -5.7826 -5.7826 -4.7006 -4.7006 -4.5749 -4.5749 2.0749 2.0749 2.1035 2.1035 2.8198 2.8198 2.8269 2.8269 3.3021 3.3021 3.3473 3.3473 4.9218 4.9218 4.9692 4.9692 5.3148 5.3148 5.3169 5.3169 8.3006 8.3006 8.3130 8.3130 9.9219 9.9219 9.9351 9.9351 k = 0.2753-0.5485 0.3348 ( 5306 PWs) bands (ev): -21.1593 -21.1593 -21.1593 -21.1593 -8.3552 -8.3552 -8.2806 -8.2806 -7.6240 -7.6240 -7.5312 -7.5312 -6.0418 -6.0418 -5.9407 -5.9407 -5.8177 -5.8177 -5.7919 -5.7919 -4.6908 -4.6908 -4.5683 -4.5683 2.0308 2.0308 2.0593 2.0593 2.8050 2.8050 2.8071 2.8071 3.3050 3.3050 3.3557 3.3557 4.9187 4.9187 4.9713 4.9713 5.3190 5.3190 5.3269 5.3269 8.3706 8.3706 8.3851 8.3851 9.9039 9.9039 9.9153 9.9153 k = 0.2677-0.5333 0.3348 ( 5302 PWs) bands (ev): -21.1593 -21.1593 -21.1593 -21.1593 -8.3600 -8.3600 -8.2819 -8.2819 -7.6286 -7.6286 -7.5277 -7.5277 -6.0234 -6.0234 -5.9321 -5.9321 -5.8248 -5.8248 -5.8007 -5.8007 -4.6810 -4.6810 -4.5621 -4.5621 1.9871 1.9871 2.0156 2.0156 2.7877 2.7877 2.7906 2.7906 3.3087 3.3087 3.3649 3.3649 4.9153 4.9153 4.9729 4.9729 5.3237 5.3237 5.3371 5.3371 8.4400 8.4400 8.4565 8.4565 9.8768 9.8768 9.8870 9.8870 k = 0.2600-0.5181 0.3348 ( 5310 PWs) bands (ev): -21.1594 -21.1594 -21.1593 -21.1593 -8.3646 -8.3646 -8.2834 -8.2834 -7.6331 -7.6331 -7.5244 -7.5244 -6.0045 -6.0045 -5.9235 -5.9235 -5.8312 -5.8312 -5.8088 -5.8088 -4.6713 -4.6713 -4.5565 -4.5565 1.9440 1.9440 1.9724 1.9724 2.7688 2.7688 2.7768 2.7768 3.3130 3.3130 3.3747 3.3747 4.9115 4.9115 4.9739 4.9739 5.3288 5.3288 5.3476 5.3476 8.5086 8.5086 8.5270 8.5270 9.8428 9.8428 9.8520 9.8520 k = 0.2524-0.5028 0.3348 ( 5302 PWs) bands (ev): -21.1594 -21.1594 -21.1594 -21.1594 -8.3691 -8.3691 -8.2850 -8.2850 -7.6375 -7.6375 -7.5214 -7.5214 -5.9854 -5.9854 -5.9149 -5.9149 -5.8366 -5.8366 -5.8163 -5.8163 -4.6618 -4.6618 -4.5513 -4.5513 1.9015 1.9015 1.9299 1.9299 2.7507 2.7507 2.7638 2.7638 3.3180 3.3180 3.3851 3.3851 4.9073 4.9073 4.9743 4.9743 5.3343 5.3343 5.3582 5.3582 8.5760 8.5760 8.5961 8.5961 9.8037 9.8037 9.8119 9.8119 k = 0.2447-0.4876 0.3348 ( 5300 PWs) bands (ev): -21.1595 -21.1595 -21.1595 -21.1595 -8.3735 -8.3735 -8.2866 -8.2866 -7.6418 -7.6418 -7.5188 -7.5188 -5.9662 -5.9662 -5.9069 -5.9069 -5.8405 -5.8405 -5.8228 -5.8228 -4.6524 -4.6524 -4.5467 -4.5467 1.8597 1.8597 1.8881 1.8881 2.7335 2.7335 2.7517 2.7517 3.3235 3.3235 3.3959 3.3959 4.9029 4.9029 4.9741 4.9741 5.3402 5.3402 5.3687 5.3687 8.6417 8.6417 8.6635 8.6635 9.7610 9.7610 9.7682 9.7682 k = 0.2371-0.4724 0.3348 ( 5306 PWs) bands (ev): -21.1596 -21.1596 -21.1596 -21.1596 -8.3777 -8.3777 -8.2884 -8.2884 -7.6459 -7.6459 -7.5165 -7.5165 -5.9473 -5.9473 -5.9002 -5.9002 -5.8422 -5.8422 -5.8282 -5.8282 -4.6432 -4.6432 -4.5425 -4.5425 1.8186 1.8186 1.8470 1.8470 2.7172 2.7172 2.7406 2.7406 3.3293 3.3293 3.4071 3.4071 4.8983 4.8983 4.9733 4.9733 5.3462 5.3462 5.3789 5.3789 8.7053 8.7053 8.7283 8.7283 9.7159 9.7159 9.7219 9.7219 k = 0.2294-0.4571 0.3348 ( 5302 PWs) bands (ev): -21.1597 -21.1597 -21.1597 -21.1597 -8.3817 -8.3817 -8.2903 -8.2903 -7.6497 -7.6497 -7.5145 -7.5145 -5.9292 -5.9292 -5.8954 -5.8954 -5.8411 -5.8411 -5.8321 -5.8321 -4.6343 -4.6343 -4.5388 -4.5388 1.7784 1.7784 1.8068 1.8068 2.7021 2.7021 2.7307 2.7307 3.3354 3.3354 3.4183 3.4183 4.8937 4.8937 4.9721 4.9721 5.3521 5.3521 5.3888 5.3888 8.7658 8.7658 8.7899 8.7899 9.6700 9.6700 9.6745 9.6745 k = 0.2218-0.4419 0.3348 ( 5306 PWs) bands (ev): -21.1598 -21.1598 -21.1598 -21.1598 -8.3856 -8.3856 -8.2923 -8.2923 -7.6534 -7.6534 -7.5130 -7.5130 -5.9125 -5.9125 -5.8931 -5.8931 -5.8367 -5.8367 -5.8338 -5.8338 -4.6257 -4.6257 -4.5356 -4.5356 1.7389 1.7389 1.7674 1.7674 2.6883 2.6883 2.7220 2.7220 3.3417 3.3417 3.4296 3.4296 4.8890 4.8890 4.9705 4.9705 5.3579 5.3579 5.3982 5.3982 8.8225 8.8225 8.8471 8.8471 9.6250 9.6250 9.6274 9.6274 k = 0.2141-0.4266 0.3348 ( 5310 PWs) bands (ev): -21.1600 -21.1600 -21.1600 -21.1600 -8.3892 -8.3892 -8.2945 -8.2945 -7.6567 -7.6567 -7.5117 -7.5117 -5.8986 -5.8986 -5.8927 -5.8927 -5.8320 -5.8320 -5.8293 -5.8293 -4.6174 -4.6174 -4.5329 -4.5329 1.7005 1.7005 1.7289 1.7289 2.6758 2.6758 2.7146 2.7146 3.3481 3.3481 3.4408 3.4408 4.8844 4.8844 4.9686 4.9686 5.3634 5.3634 5.4067 5.4067 8.8738 8.8738 8.8983 8.8983 9.5824 9.5824 9.5829 9.5829 k = 0.2065-0.4114 0.3348 ( 5308 PWs) bands (ev): -21.1602 -21.1602 -21.1602 -21.1602 -8.3926 -8.3926 -8.2969 -8.2969 -7.6597 -7.6597 -7.5109 -7.5109 -5.8936 -5.8936 -5.8889 -5.8889 -5.8256 -5.8256 -5.8200 -5.8200 -4.6094 -4.6094 -4.5305 -4.5305 1.6629 1.6629 1.6913 1.6913 2.6648 2.6648 2.7086 2.7086 3.3544 3.3544 3.4517 3.4517 4.8800 4.8800 4.9665 4.9665 5.3684 5.3684 5.4145 5.4145 8.9181 8.9181 8.9412 8.9412 9.5419 9.5419 9.5465 9.5465 k = 0.1989-0.3962 0.3348 ( 5314 PWs) bands (ev): -21.1604 -21.1604 -21.1604 -21.1604 -8.3959 -8.3959 -8.2994 -8.2994 -7.6622 -7.6622 -7.5104 -7.5104 -5.8949 -5.8949 -5.8835 -5.8835 -5.8143 -5.8143 -5.8095 -5.8095 -4.6017 -4.6017 -4.5286 -4.5286 1.6264 1.6264 1.6548 1.6548 2.6553 2.6553 2.7040 2.7040 3.3605 3.3605 3.4622 3.4622 4.8759 4.8759 4.9643 4.9643 5.3726 5.3726 5.4211 5.4211 8.9526 8.9526 8.9730 8.9730 9.5088 9.5088 9.5190 9.5190 k = 0.1912-0.3809 0.3348 ( 5304 PWs) bands (ev): -21.1606 -21.1606 -21.1606 -21.1606 -8.3989 -8.3989 -8.3021 -8.3021 -7.6644 -7.6644 -7.5102 -7.5102 -5.8962 -5.8962 -5.8812 -5.8812 -5.7998 -5.7998 -5.7982 -5.7982 -4.5942 -4.5942 -4.5269 -4.5269 1.5910 1.5910 1.6192 1.6192 2.6475 2.6475 2.7009 2.7009 3.3662 3.3662 3.4721 3.4721 4.8722 4.8722 4.9621 4.9621 5.3762 5.3762 5.4267 5.4267 8.9747 8.9747 8.9910 8.9910 9.4863 9.4863 9.5036 9.5036 k = 0.1836-0.3657 0.3348 ( 5302 PWs) bands (ev): -21.1609 -21.1609 -21.1609 -21.1609 -8.4017 -8.4017 -8.3050 -8.3050 -7.6661 -7.6661 -7.5104 -7.5104 -5.8973 -5.8973 -5.8802 -5.8802 -5.7865 -5.7865 -5.7836 -5.7836 -4.5872 -4.5872 -4.5255 -4.5255 1.5566 1.5566 1.5847 1.5847 2.6412 2.6412 2.6993 2.6993 3.3716 3.3716 3.4813 3.4813 4.8689 4.8689 4.9600 4.9600 5.3787 5.3787 5.4310 5.4310 8.9823 8.9823 8.9934 8.9934 9.4766 9.4766 9.5022 9.5022 k = 0.1759-0.3505 0.3348 ( 5298 PWs) bands (ev): -21.1611 -21.1611 -21.1611 -21.1611 -8.4044 -8.4044 -8.3081 -8.3081 -7.6674 -7.6674 -7.5109 -7.5109 -5.8980 -5.8980 -5.8798 -5.8798 -5.7747 -5.7747 -5.7669 -5.7669 -4.5804 -4.5804 -4.5244 -4.5244 1.5233 1.5233 1.5513 1.5513 2.6367 2.6367 2.6992 2.6992 3.3764 3.3764 3.4896 3.4896 4.8662 4.8662 4.9581 4.9581 5.3803 5.3803 5.4340 5.4340 8.9753 8.9753 8.9814 8.9814 9.4800 9.4800 9.5139 9.5139 k = 0.1683-0.3352 0.3348 ( 5298 PWs) bands (ev): -21.1614 -21.1614 -21.1614 -21.1614 -8.4068 -8.4068 -8.3114 -8.3114 -7.6681 -7.6681 -7.5116 -7.5116 -5.8983 -5.8983 -5.8794 -5.8794 -5.7629 -5.7629 -5.7503 -5.7503 -4.5739 -4.5739 -4.5234 -4.5234 1.4913 1.4913 1.5190 1.5190 2.6339 2.6339 2.7006 2.7006 3.3805 3.3805 3.4969 3.4969 4.8641 4.8641 4.9564 4.9564 5.3809 5.3809 5.4357 5.4357 8.9559 8.9559 8.9579 8.9579 9.4937 9.4937 9.5355 9.5355 k = 0.1606-0.3200 0.3348 ( 5294 PWs) bands (ev): -21.1617 -21.1617 -21.1617 -21.1617 -8.4090 -8.4090 -8.3149 -8.3149 -7.6683 -7.6683 -7.5127 -7.5127 -5.8979 -5.8979 -5.8788 -5.8788 -5.7513 -5.7513 -5.7341 -5.7341 -4.5677 -4.5677 -4.5226 -4.5226 1.4604 1.4604 1.4879 1.4879 2.6329 2.6329 2.7035 2.7035 3.3838 3.3838 3.5030 3.5030 4.8626 4.8626 4.9550 4.9550 5.3803 5.3803 5.4360 5.4360 8.9267 8.9267 8.9277 8.9277 9.5138 9.5138 9.5628 9.5628 k = 0.1530-0.3047 0.3348 ( 5292 PWs) bands (ev): -21.1620 -21.1620 -21.1619 -21.1619 -8.4111 -8.4111 -8.3187 -8.3187 -7.6679 -7.6679 -7.5139 -7.5139 -5.8970 -5.8970 -5.8778 -5.8778 -5.7401 -5.7401 -5.7186 -5.7186 -4.5617 -4.5617 -4.5219 -4.5219 1.4308 1.4308 1.4579 1.4579 2.6335 2.6335 2.7078 2.7078 3.3863 3.3863 3.5077 3.5077 4.8620 4.8620 4.9541 4.9541 5.3785 5.3785 5.4349 5.4349 8.8910 8.8910 8.8940 8.8940 9.5359 9.5359 9.5914 9.5914 k = 0.1453-0.2895 0.3348 ( 5292 PWs) bands (ev): -21.1623 -21.1623 -21.1622 -21.1622 -8.4129 -8.4129 -8.3227 -8.3227 -7.6670 -7.6670 -7.5154 -7.5154 -5.8956 -5.8956 -5.8764 -5.8764 -5.7292 -5.7292 -5.7039 -5.7039 -4.5560 -4.5560 -4.5211 -4.5211 1.4025 1.4025 1.4291 1.4291 2.6358 2.6358 2.7134 2.7134 3.3878 3.3878 3.5110 3.5110 4.8622 4.8622 4.9536 4.9536 5.3756 5.3756 5.4325 5.4325 8.8529 8.8529 8.8573 8.8573 9.5556 9.5556 9.6168 9.6168 k = 0.1377-0.2743 0.3348 ( 5294 PWs) bands (ev): -21.1626 -21.1626 -21.1625 -21.1625 -8.4146 -8.4146 -8.3268 -8.3268 -7.6655 -7.6655 -7.5172 -7.5172 -5.8935 -5.8935 -5.8746 -5.8746 -5.7189 -5.7189 -5.6903 -5.6903 -4.5506 -4.5506 -4.5203 -4.5203 1.3755 1.3755 1.4015 1.4015 2.6398 2.6398 2.7204 2.7204 3.3882 3.3882 3.5128 3.5128 4.8632 4.8632 4.9537 4.9537 5.3716 5.3716 5.4287 5.4287 8.8138 8.8138 8.8191 8.8191 9.5690 9.5690 9.6337 9.6337 k = 0.1300-0.2590 0.3348 ( 5298 PWs) bands (ev): -21.1629 -21.1629 -21.1628 -21.1628 -8.4160 -8.4160 -8.3312 -8.3312 -7.6635 -7.6635 -7.5191 -7.5191 -5.8909 -5.8909 -5.8723 -5.8723 -5.7091 -5.7091 -5.6778 -5.6778 -4.5454 -4.5454 -4.5195 -4.5195 1.3498 1.3498 1.3751 1.3751 2.6455 2.6455 2.7287 2.7287 3.3876 3.3876 3.5130 3.5130 4.8653 4.8653 4.9545 4.9545 5.3665 5.3665 5.4236 5.4236 8.7747 8.7747 8.7806 8.7806 9.5734 9.5734 9.6375 9.6375 k = 0.1224-0.2438 0.3348 ( 5310 PWs) bands (ev): -21.1632 -21.1632 -21.1632 -21.1632 -8.4173 -8.4173 -8.3357 -8.3357 -7.6610 -7.6610 -7.5212 -7.5212 -5.8878 -5.8878 -5.8696 -5.8696 -5.6999 -5.6999 -5.6666 -5.6666 -4.5404 -4.5404 -4.5186 -4.5186 1.3256 1.3256 1.3500 1.3500 2.6526 2.6526 2.7380 2.7380 3.3859 3.3859 3.5114 3.5114 4.8683 4.8683 4.9559 4.9559 5.3604 5.3604 5.4174 5.4174 8.7360 8.7360 8.7422 8.7422 9.5682 9.5682 9.6282 9.6282 k = 0.1147-0.2286 0.3348 ( 5298 PWs) bands (ev): -21.1635 -21.1635 -21.1634 -21.1634 -8.4184 -8.4184 -8.3403 -8.3403 -7.6580 -7.6580 -7.5235 -7.5235 -5.8841 -5.8841 -5.8666 -5.8666 -5.6915 -5.6915 -5.6565 -5.6565 -4.5356 -4.5356 -4.5175 -4.5175 1.3027 1.3027 1.3263 1.3263 2.6613 2.6613 2.7484 2.7484 3.3831 3.3831 3.5082 3.5082 4.8723 4.8723 4.9580 4.9580 5.3534 5.3534 5.4102 5.4102 8.6980 8.6980 8.7044 8.7044 9.5556 9.5556 9.6098 9.6098 k = 0.1071-0.2133 0.3348 ( 5300 PWs) bands (ev): -21.1637 -21.1637 -21.1637 -21.1637 -8.4192 -8.4192 -8.3450 -8.3450 -7.6545 -7.6545 -7.5261 -7.5261 -5.8801 -5.8801 -5.8632 -5.8632 -5.6838 -5.6838 -5.6478 -5.6478 -4.5311 -4.5311 -4.5163 -4.5163 1.2812 1.2812 1.3038 1.3038 2.6713 2.6713 2.7596 2.7596 3.3792 3.3792 3.5032 3.5032 4.8773 4.8773 4.9608 4.9608 5.3457 5.3457 5.4020 5.4020 8.6609 8.6609 8.6672 8.6672 9.5388 9.5388 9.5875 9.5875 k = 0.0994-0.1981 0.3348 ( 5300 PWs) bands (ev): -21.1640 -21.1640 -21.1640 -21.1640 -8.4198 -8.4198 -8.3498 -8.3498 -7.6506 -7.6506 -7.5287 -7.5287 -5.8756 -5.8756 -5.8595 -5.8595 -5.6768 -5.6768 -5.6404 -5.6404 -4.5268 -4.5268 -4.5150 -4.5150 1.2612 1.2612 1.2827 1.2827 2.6826 2.6826 2.7715 2.7715 3.3743 3.3743 3.4966 3.4966 4.8833 4.8833 4.9643 4.9643 5.3374 5.3374 5.3929 5.3929 8.6246 8.6246 8.6308 8.6308 9.5207 9.5207 9.5646 9.5646 k = 0.0918-0.1828 0.3348 ( 5304 PWs) bands (ev): -21.1643 -21.1643 -21.1643 -21.1643 -8.4202 -8.4202 -8.3547 -8.3547 -7.6463 -7.6463 -7.5316 -7.5316 -5.8707 -5.8707 -5.8556 -5.8556 -5.6705 -5.6705 -5.6343 -5.6343 -4.5227 -4.5227 -4.5135 -4.5135 1.2426 1.2426 1.2630 1.2630 2.6950 2.6950 2.7839 2.7839 3.3685 3.3685 3.4883 3.4883 4.8902 4.8902 4.9683 4.9683 5.3286 5.3286 5.3832 5.3832 8.5892 8.5892 8.5951 8.5951 9.5035 9.5035 9.5432 9.5432 k = 0.0841-0.1676 0.3348 ( 5300 PWs) bands (ev): -21.1646 -21.1646 -21.1646 -21.1646 -8.4204 -8.4204 -8.3595 -8.3595 -7.6417 -7.6417 -7.5347 -7.5347 -5.8657 -5.8657 -5.8516 -5.8516 -5.6650 -5.6650 -5.6295 -5.6295 -4.5188 -4.5188 -4.5119 -4.5119 1.2256 1.2256 1.2446 1.2446 2.7085 2.7085 2.7965 2.7965 3.3621 3.3621 3.4786 3.4786 4.8978 4.8978 4.9727 4.9727 5.3196 5.3196 5.3731 5.3731 8.5549 8.5549 8.5603 8.5603 9.4887 9.4887 9.5247 9.5247 k = 0.0765-0.1524 0.3348 ( 5300 PWs) bands (ev): -21.1648 -21.1648 -21.1648 -21.1648 -8.4203 -8.4203 -8.3644 -8.3644 -7.6368 -7.6368 -7.5379 -7.5379 -5.8604 -5.8604 -5.8474 -5.8474 -5.6601 -5.6601 -5.6258 -5.6258 -4.5153 -4.5153 -4.5102 -4.5102 1.2100 1.2100 1.2277 1.2277 2.7228 2.7228 2.8092 2.8092 3.3552 3.3552 3.4674 3.4674 4.9062 4.9062 4.9775 4.9775 5.3107 5.3107 5.3626 5.3626 8.5216 8.5216 8.5266 8.5266 9.4771 9.4771 9.5098 9.5098 k = 0.0688-0.1371 0.3348 ( 5300 PWs) bands (ev): -21.1650 -21.1650 -21.1650 -21.1650 -8.4200 -8.4200 -8.3692 -8.3692 -7.6316 -7.6316 -7.5414 -7.5414 -5.8551 -5.8551 -5.8433 -5.8433 -5.6559 -5.6559 -5.6234 -5.6234 -4.5119 -4.5119 -4.5084 -4.5084 1.1960 1.1960 1.2122 1.2122 2.7377 2.7377 2.8215 2.8215 3.3481 3.3481 3.4551 3.4551 4.9152 4.9152 4.9824 4.9824 5.3020 5.3020 5.3519 5.3519 8.4898 8.4898 8.4942 8.4942 9.4690 9.4690 9.4985 9.4985 k = 0.0612-0.1219 0.3348 ( 5306 PWs) bands (ev): -21.1653 -21.1653 -21.1653 -21.1653 -8.4195 -8.4195 -8.3739 -8.3739 -7.6263 -7.6263 -7.5451 -7.5451 -5.8497 -5.8497 -5.8392 -5.8392 -5.6522 -5.6522 -5.6219 -5.6219 -4.5089 -4.5089 -4.5067 -4.5067 1.1836 1.1836 1.1982 1.1982 2.7532 2.7532 2.8332 2.8332 3.3412 3.3412 3.4418 3.4418 4.9245 4.9245 4.9871 4.9871 5.2939 5.2939 5.3412 5.3412 8.4597 8.4597 8.4635 8.4635 9.4645 9.4645 9.4909 9.4909 k = 0.0535-0.1067 0.3348 ( 5308 PWs) bands (ev): -21.1655 -21.1655 -21.1654 -21.1654 -8.4186 -8.4186 -8.3784 -8.3784 -7.6207 -7.6207 -7.5489 -7.5489 -5.8445 -5.8445 -5.8353 -5.8353 -5.6490 -5.6490 -5.6214 -5.6214 -4.5062 -4.5062 -4.5049 -4.5049 1.1727 1.1727 1.1856 1.1856 2.7688 2.7688 2.8438 2.8438 3.3348 3.3348 3.4278 3.4278 4.9341 4.9341 4.9914 4.9914 5.2866 5.2866 5.3306 5.3306 8.4317 8.4317 8.4349 8.4349 9.4633 9.4633 9.4865 9.4865 k = 0.0459-0.0914 0.3348 ( 5308 PWs) bands (ev): -21.1656 -21.1656 -21.1656 -21.1656 -8.4175 -8.4175 -8.3829 -8.3829 -7.6151 -7.6151 -7.5530 -7.5530 -5.8396 -5.8396 -5.8317 -5.8317 -5.6462 -5.6462 -5.6217 -5.6217 -4.5039 -4.5039 -4.5032 -4.5032 1.1633 1.1633 1.1746 1.1746 2.7844 2.7844 2.8531 2.8531 3.3293 3.3293 3.4133 3.4133 4.9437 4.9437 4.9951 4.9951 5.2803 5.2803 5.3204 5.3204 8.4062 8.4062 8.4089 8.4089 9.4647 9.4647 9.4847 9.4847 k = 0.0382-0.0762 0.3348 ( 5304 PWs) bands (ev): -21.1658 -21.1658 -21.1658 -21.1658 -8.4162 -8.4162 -8.3871 -8.3871 -7.6095 -7.6095 -7.5573 -7.5573 -5.8351 -5.8351 -5.8286 -5.8286 -5.6437 -5.6437 -5.6226 -5.6226 -4.5019 -4.5019 -4.5017 -4.5017 1.1556 1.1556 1.1650 1.1650 2.7997 2.7997 2.8604 2.8604 3.3253 3.3253 3.3987 3.3987 4.9532 4.9532 4.9978 4.9978 5.2754 5.2754 5.3107 5.3107 8.3837 8.3837 8.3859 8.3859 9.4681 9.4681 9.4849 9.4849 k = 0.0306-0.0609 0.3348 ( 5310 PWs) bands (ev): -21.1659 -21.1659 -21.1659 -21.1659 -8.4145 -8.4145 -8.3912 -8.3912 -7.6038 -7.6038 -7.5618 -7.5618 -5.8311 -5.8311 -5.8259 -5.8259 -5.6414 -5.6414 -5.6240 -5.6240 -4.5003 -4.5003 -4.5002 -4.5002 1.1494 1.1494 1.1570 1.1570 2.8144 2.8144 2.8655 2.8655 3.3231 3.3231 3.3844 3.3844 4.9623 4.9623 4.9993 4.9993 5.2720 5.2720 5.3016 5.3016 8.3647 8.3647 8.3663 8.3663 9.4726 9.4726 9.4862 9.4862 k = 0.0229-0.0457 0.3348 ( 5298 PWs) bands (ev): -21.1660 -21.1660 -21.1660 -21.1660 -8.4126 -8.4126 -8.3950 -8.3950 -7.5981 -7.5981 -7.5665 -7.5665 -5.8276 -5.8276 -5.8238 -5.8238 -5.6391 -5.6391 -5.6259 -5.6259 -4.4992 -4.4992 -4.4989 -4.4989 1.1448 1.1448 1.1506 1.1506 2.8280 2.8280 2.8680 2.8680 3.3231 3.3231 3.3707 3.3707 4.9708 4.9708 4.9995 4.9995 5.2702 5.2702 5.2934 5.2934 8.3495 8.3495 8.3506 8.3506 9.4776 9.4776 9.4879 9.4879 k = 0.0153-0.0305 0.3348 ( 5296 PWs) bands (ev): -21.1660 -21.1660 -21.1660 -21.1660 -8.4103 -8.4103 -8.3986 -8.3986 -7.5925 -7.5925 -7.5713 -7.5713 -5.8250 -5.8250 -5.8224 -5.8224 -5.6369 -5.6369 -5.6280 -5.6280 -4.4983 -4.4983 -4.4981 -4.4981 1.1418 1.1418 1.1457 1.1457 2.8403 2.8403 2.8678 2.8678 3.3255 3.3255 3.3580 3.3580 4.9786 4.9786 4.9982 4.9982 5.2702 5.2702 5.2861 5.2861 8.3384 8.3384 8.3391 8.3391 9.4823 9.4823 9.4892 9.4892 k = 0.0076-0.0152 0.3348 ( 5294 PWs) bands (ev): -21.1661 -21.1661 -21.1661 -21.1661 -8.4078 -8.4078 -8.4019 -8.4019 -7.5870 -7.5870 -7.5764 -7.5764 -5.8231 -5.8231 -5.8218 -5.8218 -5.6347 -5.6347 -5.6302 -5.6302 -4.4977 -4.4977 -4.4976 -4.4976 1.1404 1.1404 1.1423 1.1423 2.8507 2.8507 2.8648 2.8648 3.3303 3.3303 3.3468 3.3468 4.9854 4.9854 4.9953 4.9953 5.2719 5.2719 5.2800 5.2800 8.3317 8.3317 8.3321 8.3321 9.4860 9.4860 9.4895 9.4895 k = 0.0000 0.0000 0.3348 ( 5286 PWs) bands (ev): -21.1661 -21.1661 -21.1661 -21.1661 -8.4050 -8.4050 -8.4050 -8.4050 -7.5816 -7.5816 -7.5816 -7.5816 -5.8220 -5.8220 -5.8220 -5.8220 -5.6324 -5.6324 -5.6324 -5.6324 -4.4975 -4.4975 -4.4974 -4.4974 1.1405 1.1405 1.1406 1.1406 2.8590 2.8590 2.8590 2.8590 3.3375 3.3375 3.3375 3.3375 4.9910 4.9910 4.9911 4.9911 5.2752 5.2752 5.2752 5.2752 8.3296 8.3296 8.3296 8.3296 9.4885 9.4885 9.4885 9.4885 k = 0.0000 0.0000 0.3348 ( 5286 PWs) bands (ev): -21.1661 -21.1661 -21.1661 -21.1661 -8.4050 -8.4050 -8.4050 -8.4050 -7.5816 -7.5816 -7.5816 -7.5816 -5.8220 -5.8220 -5.8220 -5.8220 -5.6324 -5.6324 -5.6324 -5.6324 -4.4975 -4.4975 -4.4974 -4.4974 1.1405 1.1405 1.1406 1.1406 2.8590 2.8590 2.8590 2.8590 3.3375 3.3375 3.3375 3.3375 4.9910 4.9910 4.9911 4.9911 5.2752 5.2752 5.2752 5.2752 8.3296 8.3296 8.3296 8.3296 9.4885 9.4885 9.4885 9.4885 k = 0.0152 0.0076 0.3348 ( 5290 PWs) bands (ev): -21.1661 -21.1661 -21.1661 -21.1661 -8.4112 -8.4112 -8.3982 -8.3982 -7.5889 -7.5889 -7.5744 -7.5744 -5.8231 -5.8231 -5.8218 -5.8218 -5.6391 -5.6391 -5.6262 -5.6262 -4.5001 -4.5001 -4.4965 -4.4965 1.1332 1.1332 1.1546 1.1546 2.8560 2.8560 2.8640 2.8640 3.3259 3.3259 3.3500 3.3500 4.9791 4.9791 5.0006 5.0006 5.2575 5.2575 5.2910 5.2910 8.3188 8.3188 8.3449 8.3449 9.4775 9.4775 9.4978 9.4978 k = 0.0303 0.0152 0.3348 ( 5294 PWs) bands (ev): -21.1661 -21.1661 -21.1661 -21.1661 -8.4169 -8.4169 -8.3907 -8.3907 -7.5961 -7.5961 -7.5671 -7.5671 -5.8251 -5.8251 -5.8227 -5.8227 -5.6462 -5.6462 -5.6203 -5.6203 -4.5043 -4.5043 -4.4974 -4.4974 1.1325 1.1325 1.1751 1.1751 2.8550 2.8550 2.8710 2.8710 3.3155 3.3155 3.3634 3.3634 4.9649 4.9649 5.0078 5.0078 5.2384 5.2384 5.3048 5.3048 8.3124 8.3124 8.3648 8.3648 9.4643 9.4643 9.5058 9.5058 k = 0.0455 0.0228 0.3348 ( 5297 PWs) bands (ev): -21.1661 -21.1661 -21.1660 -21.1660 -8.4219 -8.4219 -8.3827 -8.3827 -7.6033 -7.6033 -7.5598 -7.5598 -5.8278 -5.8278 -5.8245 -5.8245 -5.6540 -5.6540 -5.6146 -5.6146 -4.5098 -4.5098 -4.5003 -4.5003 1.1385 1.1385 1.2020 1.2020 2.8560 2.8560 2.8799 2.8799 3.3062 3.3062 3.3775 3.3775 4.9487 4.9487 5.0124 5.0124 5.2182 5.2182 5.3164 5.3164 8.3103 8.3103 8.3891 8.3891 9.4485 9.4485 9.5128 9.5128 k = 0.0606 0.0304 0.3348 ( 5298 PWs) bands (ev): -21.1660 -21.1660 -21.1660 -21.1660 -8.4265 -8.4265 -8.3739 -8.3739 -7.6105 -7.6105 -7.5525 -7.5525 -5.8315 -5.8315 -5.8274 -5.8274 -5.6625 -5.6625 -5.6090 -5.6090 -4.5164 -4.5164 -4.5052 -4.5052 1.1511 1.1511 1.2351 1.2351 2.8590 2.8590 2.8907 2.8907 3.2983 3.2983 3.3921 3.3921 4.9305 4.9305 5.0144 5.0144 5.1974 5.1974 5.3254 5.3254 8.3121 8.3121 8.4177 8.4177 9.4297 9.4297 9.5189 9.5189 k = 0.0758 0.0380 0.3348 ( 5290 PWs) bands (ev): -21.1660 -21.1660 -21.1659 -21.1659 -8.4305 -8.4305 -8.3645 -8.3645 -7.6177 -7.6177 -7.5451 -7.5451 -5.8361 -5.8361 -5.8311 -5.8311 -5.6716 -5.6716 -5.6035 -5.6035 -4.5241 -4.5241 -4.5121 -4.5121 1.1704 1.1704 1.2742 1.2742 2.8640 2.8640 2.9034 2.9034 3.2918 3.2918 3.4070 3.4070 4.9106 4.9106 5.0136 5.0136 5.1766 5.1766 5.3318 5.3318 8.3174 8.3174 8.4504 8.4504 9.4072 9.4072 9.5240 9.5240 k = 0.0909 0.0456 0.3348 ( 5288 PWs) bands (ev): -21.1659 -21.1659 -21.1658 -21.1658 -8.4340 -8.4340 -8.3544 -8.3544 -7.6249 -7.6249 -7.5377 -7.5377 -5.8422 -5.8422 -5.8353 -5.8353 -5.6814 -5.6814 -5.5979 -5.5979 -4.5327 -4.5327 -4.5207 -4.5207 1.1961 1.1961 1.3191 1.3191 2.8709 2.8709 2.9178 2.9178 3.2867 3.2867 3.4221 3.4221 4.8891 4.8891 5.0099 5.0099 5.1562 5.1562 5.3356 5.3356 8.3258 8.3258 8.4868 8.4868 9.3807 9.3807 9.5272 9.5272 k = 0.1061 0.0532 0.3348 ( 5290 PWs) bands (ev): -21.1659 -21.1659 -21.1657 -21.1657 -8.4371 -8.4371 -8.3437 -8.3437 -7.6321 -7.6321 -7.5302 -7.5302 -5.8500 -5.8500 -5.8397 -5.8397 -5.6919 -5.6919 -5.5922 -5.5922 -4.5428 -4.5428 -4.5304 -4.5304 1.2280 1.2280 1.3695 1.3695 2.8798 2.8798 2.9340 2.9340 3.2831 3.2831 3.4371 3.4371 4.8663 4.8663 5.0030 5.0030 5.1370 5.1370 5.3365 5.3365 8.3367 8.3367 8.5266 8.5266 9.3494 9.3494 9.5271 9.5271 k = 0.1212 0.0608 0.3348 ( 5291 PWs) bands (ev): -21.1658 -21.1658 -21.1656 -21.1656 -8.4398 -8.4398 -8.3323 -8.3323 -7.6393 -7.6393 -7.5227 -7.5227 -5.8597 -5.8597 -5.8442 -5.8442 -5.7027 -5.7027 -5.5865 -5.5865 -4.5551 -4.5551 -4.5401 -4.5401 1.2660 1.2660 1.4250 1.4250 2.8905 2.8905 2.9518 2.9518 3.2810 3.2810 3.4519 3.4519 4.8425 4.8425 4.9930 4.9930 5.1195 5.1195 5.3347 5.3347 8.3493 8.3493 8.5693 8.5693 9.3125 9.3125 9.5209 9.5209 k = 0.1364 0.0684 0.3348 ( 5293 PWs) bands (ev): -21.1657 -21.1657 -21.1655 -21.1655 -8.4420 -8.4420 -8.3202 -8.3202 -7.6466 -7.6466 -7.5151 -7.5151 -5.8712 -5.8712 -5.8489 -5.8489 -5.7139 -5.7139 -5.5806 -5.5806 -4.5701 -4.5701 -4.5491 -4.5491 1.3097 1.3097 1.4854 1.4854 2.9030 2.9030 2.9711 2.9711 3.2805 3.2805 3.4662 3.4662 4.8179 4.8179 4.9799 4.9799 5.1040 5.1040 5.3301 5.3301 8.3630 8.3630 8.6145 8.6145 9.2691 9.2691 9.5043 9.5043 k = 0.1515 0.0760 0.3348 ( 5293 PWs) bands (ev): -21.1656 -21.1656 -21.1654 -21.1654 -8.4440 -8.4440 -8.3075 -8.3075 -7.6540 -7.6540 -7.5075 -7.5075 -5.8849 -5.8849 -5.8536 -5.8536 -5.7250 -5.7250 -5.5746 -5.5746 -4.5877 -4.5877 -4.5571 -4.5571 1.3590 1.3590 1.5503 1.5503 2.9171 2.9171 2.9917 2.9917 3.2816 3.2816 3.4799 3.4799 4.7927 4.7927 4.9643 4.9643 5.0906 5.0906 5.3227 5.3227 8.3766 8.3766 8.6617 8.6617 9.2183 9.2183 9.4722 9.4722 k = 0.1667 0.0837 0.3348 ( 5289 PWs) bands (ev): -21.1655 -21.1655 -21.1653 -21.1653 -8.4456 -8.4456 -8.2941 -8.2941 -7.6614 -7.6614 -7.4997 -7.4997 -5.9006 -5.9006 -5.8584 -5.8584 -5.7359 -5.7359 -5.5685 -5.5685 -4.6076 -4.6076 -4.5644 -4.5644 1.4134 1.4134 1.6193 1.6193 2.9327 2.9327 3.0137 3.0137 3.2842 3.2842 3.4929 3.4929 4.7672 4.7672 4.9468 4.9468 5.0791 5.0791 5.3127 5.3127 8.3890 8.3890 8.7105 8.7105 9.1590 9.1590 9.4212 9.4212 k = 0.1818 0.0913 0.3348 ( 5296 PWs) bands (ev): -21.1654 -21.1654 -21.1651 -21.1651 -8.4469 -8.4469 -8.2801 -8.2801 -7.6690 -7.6690 -7.4919 -7.4919 -5.9185 -5.9185 -5.8633 -5.8633 -5.7462 -5.7462 -5.5622 -5.5622 -4.6293 -4.6293 -4.5709 -4.5709 1.4726 1.4726 1.6921 1.6921 2.9497 2.9497 3.0367 3.0367 3.2884 3.2884 3.5049 3.5049 4.7416 4.7416 4.9282 4.9282 5.0694 5.0694 5.3001 5.3001 8.3983 8.3983 8.7602 8.7602 9.0904 9.0904 9.3528 9.3528 k = 0.1970 0.0989 0.3348 ( 5288 PWs) bands (ev): -21.1653 -21.1653 -21.1650 -21.1650 -8.4479 -8.4479 -8.2655 -8.2655 -7.6767 -7.6767 -7.4840 -7.4840 -5.9384 -5.9384 -5.8683 -5.8683 -5.7558 -5.7558 -5.5559 -5.5559 -4.6528 -4.6528 -4.5766 -4.5766 1.5363 1.5363 1.7682 1.7682 2.9678 2.9678 3.0606 3.0606 3.2941 3.2941 3.5160 3.5160 4.7161 4.7161 4.9092 4.9092 5.0611 5.0611 5.2851 5.2851 8.4021 8.4021 8.8099 8.8099 9.0126 9.0126 9.2732 9.2732 k = 0.2121 0.1065 0.3348 ( 5286 PWs) bands (ev): -21.1652 -21.1652 -21.1648 -21.1648 -8.4488 -8.4488 -8.2503 -8.2503 -7.6846 -7.6846 -7.4760 -7.4760 -5.9603 -5.9603 -5.8734 -5.8734 -5.7643 -5.7643 -5.5495 -5.5495 -4.6777 -4.6777 -4.5815 -4.5815 1.6039 1.6039 1.8471 1.8471 2.9869 2.9869 3.0852 3.0852 3.3012 3.3012 3.5261 3.5261 4.6910 4.6910 4.8904 4.8904 5.0542 5.0542 5.2681 5.2681 8.3969 8.3969 8.8544 8.8544 8.9301 8.9301 9.1906 9.1906 k = 0.2273 0.1141 0.3348 ( 5293 PWs) bands (ev): -21.1651 -21.1651 -21.1647 -21.1647 -8.4494 -8.4494 -8.2345 -8.2345 -7.6926 -7.6926 -7.4680 -7.4680 -5.9840 -5.9840 -5.8787 -5.8787 -5.7717 -5.7717 -5.5431 -5.5431 -4.7039 -4.7039 -4.5856 -4.5856 1.6751 1.6751 1.9285 1.9285 3.0066 3.0066 3.1101 3.1101 3.3097 3.3097 3.5352 3.5352 4.6665 4.6665 4.8723 4.8723 5.0485 5.0485 5.2492 5.2492 8.3778 8.3778 8.8151 8.8151 8.9216 8.9216 9.1141 9.1141 k = 0.2424 0.1217 0.3348 ( 5295 PWs) bands (ev): -21.1650 -21.1650 -21.1645 -21.1645 -8.4499 -8.4499 -8.2182 -8.2182 -7.7009 -7.7009 -7.4598 -7.4598 -6.0091 -6.0091 -5.8840 -5.8840 -5.7780 -5.7780 -5.5365 -5.5365 -4.7311 -4.7311 -4.5890 -4.5890 1.7493 1.7493 2.0117 2.0117 3.0265 3.0265 3.1350 3.1350 3.3195 3.3195 3.5434 3.5434 4.6429 4.6429 4.8551 4.8551 5.0439 5.0439 5.2290 5.2290 8.3395 8.3395 8.7122 8.7122 8.9654 8.9654 9.0539 9.0539 k = 0.2576 0.1293 0.3348 ( 5296 PWs) bands (ev): -21.1649 -21.1649 -21.1644 -21.1644 -8.4502 -8.4502 -8.2014 -8.2014 -7.7095 -7.7095 -7.4516 -7.4516 -6.0354 -6.0354 -5.8895 -5.8895 -5.7830 -5.7830 -5.5299 -5.5299 -4.7592 -4.7592 -4.5917 -4.5917 1.8261 1.8261 2.0964 2.0964 3.0464 3.0464 3.1597 3.1597 3.3305 3.3305 3.5508 3.5508 4.6204 4.6204 4.8392 4.8392 5.0403 5.0403 5.2081 5.2081 8.2787 8.2787 8.5993 8.5993 8.9872 8.9872 9.0372 9.0372 k = 0.2727 0.1369 0.3348 ( 5300 PWs) bands (ev): -21.1647 -21.1647 -21.1642 -21.1642 -8.4504 -8.4504 -8.1842 -8.1842 -7.7184 -7.7184 -7.4434 -7.4434 -6.0625 -6.0625 -5.8950 -5.8950 -5.7869 -5.7869 -5.5233 -5.5233 -4.7878 -4.7878 -4.5937 -4.5937 1.9051 1.9051 2.1820 2.1820 3.0659 3.0659 3.1836 3.1836 3.3423 3.3423 3.5576 3.5576 4.5995 4.5995 4.8250 4.8250 5.0372 5.0372 5.1873 5.1873 8.1956 8.1956 8.4803 8.4803 8.9727 8.9727 9.0770 9.0770 k = 0.2879 0.1445 0.3348 ( 5301 PWs) bands (ev): -21.1646 -21.1646 -21.1641 -21.1641 -8.4505 -8.4505 -8.1666 -8.1666 -7.7276 -7.7276 -7.4351 -7.4351 -6.0902 -6.0902 -5.9005 -5.9005 -5.7896 -5.7896 -5.5166 -5.5166 -4.8169 -4.8169 -4.5950 -4.5950 1.9856 1.9856 2.2678 2.2678 3.0846 3.0846 3.2065 3.2065 3.3546 3.3546 3.5639 3.5639 4.5805 4.5805 4.8125 4.8125 5.0337 5.0337 5.1681 5.1681 8.0945 8.0945 8.3571 8.3571 8.9674 8.9674 9.1241 9.1241 k = 0.3030 0.1521 0.3348 ( 5304 PWs) bands (ev): -21.1645 -21.1645 -21.1639 -21.1639 -8.4505 -8.4505 -8.1487 -8.1487 -7.7373 -7.7373 -7.4269 -7.4269 -6.1180 -6.1180 -5.9060 -5.9060 -5.7913 -5.7913 -5.5099 -5.5099 -4.8461 -4.8461 -4.5958 -4.5958 2.0672 2.0672 2.3533 2.3533 3.1020 3.1020 3.2281 3.2281 3.3668 3.3668 3.5700 3.5700 4.5638 4.5638 4.8022 4.8022 5.0284 5.0284 5.1522 5.1522 7.9809 7.9809 8.2314 8.2314 8.9740 8.9740 9.1714 9.1714 k = 0.3182 0.1597 0.3348 ( 5301 PWs) bands (ev): -21.1644 -21.1644 -21.1638 -21.1638 -8.4504 -8.4504 -8.1304 -8.1304 -7.7474 -7.7474 -7.4188 -7.4188 -6.1456 -6.1456 -5.9113 -5.9113 -5.7920 -5.7920 -5.5031 -5.5031 -4.8753 -4.8753 -4.5961 -4.5961 2.1493 2.1493 2.4379 2.4379 3.1177 3.1177 3.2480 3.2480 3.3783 3.3783 3.5759 3.5759 4.5497 4.5497 4.7942 4.7942 5.0200 5.0200 5.1417 5.1417 7.8597 7.8597 8.1047 8.1047 8.9891 8.9891 9.2178 9.2178 k = 0.3333 0.1673 0.3348 ( 5306 PWs) bands (ev): -21.1643 -21.1643 -21.1636 -21.1636 -8.4503 -8.4503 -8.1120 -8.1120 -7.7579 -7.7579 -7.4108 -7.4108 -6.1727 -6.1727 -5.9164 -5.9164 -5.7919 -5.7919 -5.4962 -5.4962 -4.9041 -4.9041 -4.5960 -4.5960 2.2314 2.2314 2.5208 2.5208 3.1315 3.1315 3.2663 3.2663 3.3881 3.3881 3.5817 3.5817 4.5387 4.5387 4.7886 4.7886 5.0077 5.0077 5.1376 5.1376 7.7348 7.7348 7.9785 7.9785 9.0098 9.0098 9.2629 9.2629 k = 0.3485 0.1749 0.3348 ( 5303 PWs) bands (ev): -21.1643 -21.1643 -21.1635 -21.1635 -8.4501 -8.4501 -8.0934 -8.0934 -7.7690 -7.7690 -7.4029 -7.4029 -6.1989 -6.1989 -5.9211 -5.9211 -5.7910 -5.7910 -5.4893 -5.4893 -4.9325 -4.9325 -4.5955 -4.5955 2.3129 2.3129 2.6015 2.6015 3.1430 3.1430 3.2828 3.2828 3.3955 3.3955 3.5872 3.5872 4.5310 4.5310 4.7856 4.7856 4.9926 4.9926 5.1398 5.1398 7.6093 7.6093 7.8543 7.8543 9.0339 9.0339 9.3066 9.3066 k = 0.3636 0.1825 0.3348 ( 5305 PWs) bands (ev): -21.1642 -21.1642 -21.1633 -21.1633 -8.4498 -8.4498 -8.0748 -8.0748 -7.7805 -7.7805 -7.3954 -7.3954 -6.2239 -6.2239 -5.9255 -5.9255 -5.7895 -5.7895 -5.4824 -5.4824 -4.9601 -4.9601 -4.5948 -4.5948 2.3933 2.3933 2.6792 2.6792 3.1518 3.1518 3.2976 3.2976 3.3997 3.3997 3.5920 3.5920 4.5267 4.5267 4.7850 4.7850 4.9766 4.9766 5.1468 5.1468 7.4857 7.4857 7.7335 7.7335 9.0597 9.0597 9.3485 9.3485 k = 0.3788 0.1901 0.3348 ( 5298 PWs) bands (ev): -21.1641 -21.1641 -21.1632 -21.1632 -8.4495 -8.4495 -8.0562 -8.0562 -7.7925 -7.7925 -7.3883 -7.3883 -6.2473 -6.2473 -5.9295 -5.9295 -5.7875 -5.7875 -5.4755 -5.4755 -4.9866 -4.9866 -4.5938 -4.5938 2.4720 2.4720 2.7531 2.7531 3.1577 3.1577 3.3107 3.3107 3.4004 3.4004 3.5955 3.5955 4.5257 4.5257 4.7865 4.7865 4.9618 4.9618 5.1573 5.1573 7.3663 7.3663 7.6178 7.6178 9.0858 9.0858 9.3883 9.3883 k = 0.3939 0.1977 0.3348 ( 5296 PWs) bands (ev): -21.1641 -21.1641 -21.1631 -21.1631 -8.4492 -8.4492 -8.0379 -8.0379 -7.8050 -7.8050 -7.3816 -7.3816 -6.2690 -6.2690 -5.9330 -5.9330 -5.7850 -5.7850 -5.4687 -5.4687 -5.0117 -5.0117 -4.5926 -4.5926 2.5486 2.5486 2.8225 2.8225 3.1605 3.1605 3.3218 3.3218 3.3979 3.3979 3.5973 3.5973 4.5276 4.5276 4.7896 4.7896 4.9498 4.9498 5.1703 5.1703 7.2530 7.2530 7.5087 7.5087 9.1111 9.1111 9.4258 9.4258 k = 0.4091 0.2053 0.3348 ( 5293 PWs) bands (ev): -21.1640 -21.1640 -21.1630 -21.1630 -8.4488 -8.4488 -8.0199 -8.0199 -7.8178 -7.8178 -7.3755 -7.3755 -6.2886 -6.2886 -5.9359 -5.9359 -5.7824 -5.7824 -5.4622 -5.4622 -5.0353 -5.0353 -4.5914 -4.5914 2.6223 2.6223 2.8864 2.8864 3.1596 3.1596 3.3307 3.3307 3.3930 3.3930 3.5968 3.5968 4.5315 4.5315 4.7935 4.7935 4.9419 4.9419 5.1846 5.1846 7.1481 7.1481 7.4081 7.4081 9.1346 9.1346 9.4603 9.4603 k = 0.4242 0.2129 0.3348 ( 5291 PWs) bands (ev): -21.1640 -21.1640 -21.1629 -21.1629 -8.4483 -8.4483 -8.0025 -8.0025 -7.8308 -7.8308 -7.3700 -7.3700 -6.3059 -6.3059 -5.9382 -5.9382 -5.7795 -5.7795 -5.4559 -5.4559 -5.0567 -5.0567 -4.5900 -4.5900 2.6927 2.6927 2.9439 2.9439 3.1546 3.1546 3.3361 3.3361 3.3875 3.3875 3.5939 3.5939 4.5365 4.5365 4.7977 4.7977 4.9386 4.9386 5.1996 5.1996 7.0536 7.0536 7.3178 7.3178 9.1554 9.1554 9.4916 9.4916 k = 0.4394 0.2205 0.3348 ( 5294 PWs) bands (ev): -21.1640 -21.1640 -21.1628 -21.1628 -8.4478 -8.4478 -7.9862 -7.9862 -7.8436 -7.8436 -7.3654 -7.3654 -6.3205 -6.3205 -5.9400 -5.9400 -5.7767 -5.7767 -5.4503 -5.4503 -5.0758 -5.0758 -4.5887 -4.5887 2.7591 2.7591 2.9936 2.9936 3.1449 3.1449 3.3369 3.3369 3.3840 3.3840 3.5890 3.5890 4.5416 4.5416 4.8020 4.8020 4.9394 4.9394 5.2140 5.2140 6.9719 6.9719 7.2398 7.2398 9.1730 9.1730 9.5191 9.5191 k = 0.4545 0.2281 0.3348 ( 5297 PWs) bands (ev): -21.1640 -21.1640 -21.1627 -21.1627 -8.4472 -8.4472 -7.9717 -7.9717 -7.8556 -7.8556 -7.3616 -7.3616 -6.3324 -6.3324 -5.9411 -5.9411 -5.7738 -5.7738 -5.4455 -5.4455 -5.0919 -5.0919 -4.5873 -4.5873 2.8205 2.8205 3.0340 3.0340 3.1299 3.1299 3.3329 3.3329 3.3841 3.3841 3.5827 3.5827 4.5459 4.5459 4.8060 4.8060 4.9432 4.9432 5.2270 5.2270 6.9052 6.9052 7.1762 7.1762 9.1867 9.1867 9.5421 9.5421 k = 0.4697 0.2358 0.3348 ( 5301 PWs) bands (ev): -21.1640 -21.1640 -21.1626 -21.1626 -8.4466 -8.4466 -7.9604 -7.9604 -7.8652 -7.8652 -7.3589 -7.3589 -6.3413 -6.3413 -5.9415 -5.9415 -5.7712 -5.7712 -5.4419 -5.4419 -5.1047 -5.1047 -4.5860 -4.5860 2.8755 2.8755 3.0630 3.0630 3.1099 3.1099 3.3269 3.3269 3.3868 3.3868 3.5762 3.5762 4.5491 4.5491 4.8097 4.8097 4.9483 4.9483 5.2373 5.2373 6.8557 6.8557 7.1289 7.1289 9.1963 9.1963 9.5603 9.5603 k = 0.4848 0.2434 0.3348 ( 5302 PWs) bands (ev): -21.1640 -21.1640 -21.1625 -21.1625 -8.4458 -8.4458 -7.9549 -7.9549 -7.8702 -7.8702 -7.3572 -7.3572 -6.3470 -6.3470 -5.9413 -5.9413 -5.7688 -5.7688 -5.4397 -5.4397 -5.1137 -5.1137 -4.5848 -4.5848 2.9213 2.9213 3.0757 3.0757 3.0901 3.0901 3.3219 3.3219 3.3906 3.3906 3.5703 3.5703 4.5512 4.5512 4.8126 4.8126 4.9531 4.9531 5.2438 5.2438 6.8252 6.8252 7.0995 7.0995 9.2017 9.2017 9.5729 9.5729 k = 0.5000 0.2510-0.3035 ( 5294 PWs) bands (ev): -21.1641 -21.1641 -21.1625 -21.1625 -8.4466 -8.4466 -7.9407 -7.9407 -7.8846 -7.8846 -7.3542 -7.3542 -6.3519 -6.3519 -5.9404 -5.9404 -5.7647 -5.7647 -5.4362 -5.4362 -5.1243 -5.1243 -4.5818 -4.5818 2.9499 2.9499 3.0652 3.0652 3.0864 3.0864 3.3203 3.3203 3.3943 3.3943 3.5706 3.5706 4.5475 4.5475 4.8115 4.8115 4.9506 4.9506 5.2437 5.2437 6.8134 6.8134 7.0900 7.0900 9.1986 9.1986 9.5788 9.5788 k = 0.5077 0.2357-0.3035 ( 5294 PWs) bands (ev): -21.1640 -21.1640 -21.1625 -21.1625 -8.4463 -8.4463 -7.9438 -7.9438 -7.8819 -7.8819 -7.3544 -7.3544 -6.3513 -6.3513 -5.9399 -5.9399 -5.7654 -5.7654 -5.4379 -5.4379 -5.1228 -5.1228 -4.5815 -4.5815 2.9439 2.9439 3.0639 3.0639 3.0905 3.0905 3.3175 3.3175 3.3947 3.3947 3.5685 3.5685 4.5498 4.5498 4.8134 4.8134 4.9525 4.9525 5.2425 5.2425 6.8175 6.8175 7.0915 7.0915 9.1928 9.1928 9.5857 9.5857 k = 0.5153 0.2205-0.3035 ( 5294 PWs) bands (ev): -21.1640 -21.1640 -21.1624 -21.1624 -8.4452 -8.4452 -7.9519 -7.9519 -7.8754 -7.8754 -7.3550 -7.3550 -6.3495 -6.3495 -5.9384 -5.9384 -5.7675 -5.7675 -5.4428 -5.4428 -5.1187 -5.1187 -4.5807 -4.5807 2.9280 2.9280 3.0586 3.0586 3.1021 3.1021 3.3093 3.3093 3.3956 3.3956 3.5624 3.5624 4.5564 4.5564 4.8190 4.8190 4.9583 4.9583 5.2390 5.2390 6.8298 6.8298 7.0959 7.0959 9.1771 9.1771 9.6050 9.6050 k = 0.5230 0.2052-0.3035 ( 5298 PWs) bands (ev): -21.1640 -21.1640 -21.1624 -21.1624 -8.4434 -8.4434 -7.9629 -7.9629 -7.8670 -7.8670 -7.3561 -7.3561 -6.3465 -6.3465 -5.9359 -5.9359 -5.7709 -5.7709 -5.4507 -5.4507 -5.1120 -5.1120 -4.5794 -4.5794 2.9056 2.9056 3.0490 3.0490 3.1182 3.1182 3.2956 3.2956 3.3969 3.3969 3.5530 3.5530 4.5669 4.5669 4.8282 4.8282 4.9678 4.9678 5.2335 5.2335 6.8498 6.8498 7.1033 7.1033 9.1545 9.1545 9.6328 9.6328 k = 0.5306 0.1899-0.3035 ( 5300 PWs) bands (ev): -21.1639 -21.1639 -21.1623 -21.1623 -8.4410 -8.4410 -7.9753 -7.9753 -7.8580 -7.8580 -7.3574 -7.3574 -6.3423 -6.3423 -5.9324 -5.9324 -5.7757 -5.7757 -5.4611 -5.4611 -5.1033 -5.1033 -4.5776 -4.5776 2.8792 2.8792 3.0356 3.0356 3.1360 3.1360 3.2772 3.2772 3.3981 3.3981 3.5413 3.5413 4.5803 4.5803 4.8405 4.8405 4.9809 4.9809 5.2265 5.2265 6.8773 6.8773 7.1137 7.1137 9.1284 9.1284 9.6652 9.6652 k = 0.5383 0.1747-0.3035 ( 5304 PWs) bands (ev): -21.1638 -21.1638 -21.1622 -21.1622 -8.4379 -8.4379 -7.9887 -7.9887 -7.8491 -7.8491 -7.3592 -7.3592 -6.3370 -6.3370 -5.9280 -5.9280 -5.7818 -5.7818 -5.4736 -5.4736 -5.0927 -5.0927 -4.5754 -4.5754 2.8499 2.8499 3.0191 3.0191 3.1525 3.1525 3.2556 3.2556 3.3988 3.3988 3.5281 3.5281 4.5959 4.5959 4.8554 4.8554 4.9973 4.9973 5.2188 5.2188 6.9116 6.9116 7.1271 7.1271 9.1014 9.1014 9.6984 9.6984 k = 0.5459 0.1594-0.3035 ( 5308 PWs) bands (ev): -21.1638 -21.1638 -21.1621 -21.1621 -8.4342 -8.4342 -8.0024 -8.0024 -7.8407 -7.8407 -7.3612 -7.3612 -6.3306 -6.3306 -5.9227 -5.9227 -5.7891 -5.7891 -5.4878 -5.4878 -5.0808 -5.0808 -4.5728 -4.5728 2.8184 2.8184 2.9999 2.9999 3.1627 3.1627 3.2359 3.2359 3.3982 3.3982 3.5146 3.5146 4.6128 4.6128 4.8722 4.8722 5.0166 5.0166 5.2111 5.2111 6.9522 6.9522 7.1438 7.1438 9.0753 9.0753 9.7297 9.7297 k = 0.5536 0.1442-0.3035 ( 5308 PWs) bands (ev): -21.1636 -21.1636 -21.1619 -21.1619 -8.4300 -8.4300 -8.0164 -8.0164 -7.8329 -7.8329 -7.3635 -7.3635 -6.3233 -6.3233 -5.9166 -5.9166 -5.7974 -5.7974 -5.5031 -5.5031 -5.0679 -5.0679 -4.5700 -4.5700 2.7852 2.7852 2.9785 2.9785 3.1547 3.1547 3.2298 3.2298 3.3958 3.3958 3.5017 3.5017 4.6306 4.6306 4.8901 4.8901 5.0382 5.0382 5.2044 5.2044 6.9983 6.9983 7.1637 7.1637 9.0513 9.0513 9.7568 9.7568 k = 0.5613 0.1289-0.3035 ( 5312 PWs) bands (ev): -21.1635 -21.1635 -21.1617 -21.1617 -8.4253 -8.4253 -8.0304 -8.0304 -7.8258 -7.8258 -7.3660 -7.3660 -6.3151 -6.3151 -5.9097 -5.9097 -5.8068 -5.8068 -5.5192 -5.5192 -5.0542 -5.0542 -4.5671 -4.5671 2.7505 2.7505 2.9551 2.9551 3.1271 3.1271 3.2393 3.2393 3.3910 3.3910 3.4901 3.4901 4.6487 4.6487 4.9079 4.9079 5.0614 5.0614 5.1998 5.1998 7.0492 7.0492 7.1869 7.1869 9.0303 9.0303 9.7784 9.7784 k = 0.5689 0.1137-0.3035 ( 5310 PWs) bands (ev): -21.1634 -21.1634 -21.1615 -21.1615 -8.4203 -8.4203 -8.0441 -8.0441 -7.8196 -7.8196 -7.3686 -7.3686 -6.3060 -6.3060 -5.9023 -5.9023 -5.8170 -5.8170 -5.5357 -5.5357 -5.0400 -5.0400 -4.5640 -4.5640 2.7146 2.7146 2.9300 2.9300 3.0903 3.0903 3.2540 3.2540 3.3839 3.3839 3.4803 3.4803 4.6670 4.6670 4.9246 4.9246 5.0855 5.0855 5.1984 5.1984 7.1042 7.1042 7.2135 7.2135 9.0130 9.0130 9.7942 9.7942 k = 0.5766 0.0984-0.3035 ( 5313 PWs) bands (ev): -21.1633 -21.1633 -21.1613 -21.1613 -8.4151 -8.4151 -8.0574 -8.0574 -7.8144 -7.8144 -7.3713 -7.3713 -6.2963 -6.2963 -5.8946 -5.8946 -5.8278 -5.8278 -5.5522 -5.5522 -5.0254 -5.0254 -4.5610 -4.5610 2.6778 2.6778 2.9035 2.9035 3.0492 3.0492 3.2689 3.2689 3.3750 3.3750 3.4725 3.4725 4.6853 4.6853 4.9389 4.9389 5.1100 5.1100 5.2009 5.2009 7.1628 7.1628 7.2437 7.2437 8.9999 8.9999 9.8045 9.8045 k = 0.5842 0.0831-0.3035 ( 5311 PWs) bands (ev): -21.1631 -21.1631 -21.1611 -21.1611 -8.4098 -8.4098 -8.0702 -8.0702 -7.8101 -7.8101 -7.3740 -7.3740 -6.2859 -6.2859 -5.8872 -5.8872 -5.8387 -5.8387 -5.5683 -5.5683 -5.0107 -5.0107 -4.5580 -4.5580 2.6402 2.6402 2.8755 2.8755 3.0059 3.0059 3.2810 3.2810 3.3660 3.3660 3.4666 3.4666 4.7036 4.7036 4.9500 4.9500 5.1345 5.1345 5.2077 5.2077 7.2241 7.2241 7.2775 7.2775 8.9912 8.9912 9.8098 9.8098 k = 0.5919 0.0679-0.3035 ( 5311 PWs) bands (ev): -21.1630 -21.1630 -21.1609 -21.1609 -8.4046 -8.4046 -8.0821 -8.0821 -7.8068 -7.8068 -7.3767 -7.3767 -6.2750 -6.2750 -5.8816 -5.8816 -5.8482 -5.8482 -5.5838 -5.5838 -4.9959 -4.9959 -4.5552 -4.5552 2.6021 2.6021 2.8462 2.8462 2.9611 2.9611 3.2872 3.2872 3.3600 3.3600 3.4624 3.4624 4.7217 4.7217 4.9575 4.9575 5.1593 5.1593 5.2183 5.2183 7.2871 7.2871 7.3155 7.3155 8.9873 8.9873 9.8109 9.8109 k = 0.5996 0.0526-0.3035 ( 5319 PWs) bands (ev): -21.1628 -21.1628 -21.1606 -21.1606 -8.3996 -8.3996 -8.0931 -8.0931 -7.8047 -7.8047 -7.3792 -7.3792 -6.2638 -6.2638 -5.8823 -5.8823 -5.8519 -5.8519 -5.5982 -5.5982 -4.9812 -4.9812 -4.5526 -4.5526 2.5638 2.5638 2.8157 2.8157 2.9155 2.9155 3.2848 3.2848 3.3596 3.3596 3.4597 3.4597 4.7396 4.7396 4.9616 4.9616 5.1845 5.1845 5.2313 5.2313 7.3465 7.3465 7.3624 7.3624 8.9883 8.9883 9.8087 9.8087 k = 0.6072 0.0374-0.3035 ( 5315 PWs) bands (ev): -21.1627 -21.1627 -21.1604 -21.1604 -8.3951 -8.3951 -8.1028 -8.1028 -7.8036 -7.8036 -7.3816 -7.3816 -6.2522 -6.2522 -5.8910 -5.8910 -5.8480 -5.8480 -5.6112 -5.6112 -4.9666 -4.9666 -4.5502 -4.5502 2.5255 2.5255 2.7838 2.7838 2.8696 2.8696 3.2749 3.2749 3.3636 3.3636 3.4589 3.4589 4.7572 4.7572 4.9630 4.9630 5.2100 5.2100 5.2459 5.2459 7.3946 7.3946 7.4253 7.4253 8.9943 8.9943 9.8038 9.8038 k = 0.6149 0.0221-0.3035 ( 5313 PWs) bands (ev): -21.1626 -21.1626 -21.1601 -21.1601 -8.3912 -8.3912 -8.1110 -8.1110 -7.8037 -7.8037 -7.3838 -7.3838 -6.2405 -6.2405 -5.9035 -5.9035 -5.8410 -5.8410 -5.6225 -5.6225 -4.9523 -4.9523 -4.5482 -4.5482 2.4874 2.4874 2.7507 2.7507 2.8238 2.8238 3.2606 3.2606 3.3686 3.3686 3.4601 3.4601 4.7743 4.7743 4.9625 4.9625 5.2338 5.2338 5.2623 5.2623 7.4421 7.4421 7.4930 7.4930 9.0055 9.0055 9.7969 9.7969 k = 0.6225 0.0069-0.3035 ( 5315 PWs) bands (ev): -21.1624 -21.1624 -21.1598 -21.1598 -8.3882 -8.3882 -8.1176 -8.1176 -7.8049 -7.8049 -7.3857 -7.3857 -6.2288 -6.2288 -5.9172 -5.9172 -5.8336 -5.8336 -5.6318 -5.6318 -4.9381 -4.9381 -4.5464 -4.5464 2.4497 2.4497 2.7163 2.7163 2.7784 2.7784 3.2444 3.2444 3.3721 3.3721 3.4636 3.4636 4.7906 4.7906 4.9609 4.9609 5.2524 5.2524 5.2832 5.2832 7.4919 7.4919 7.5620 7.5620 9.0218 9.0218 9.7885 9.7885 k = 0.6302-0.0084-0.3035 ( 5317 PWs) bands (ev): -21.1623 -21.1623 -21.1595 -21.1595 -8.3863 -8.3863 -8.1224 -8.1224 -7.8071 -7.8071 -7.3874 -7.3874 -6.2173 -6.2173 -5.9312 -5.9312 -5.8266 -5.8266 -5.6388 -5.6388 -4.9243 -4.9243 -4.5450 -4.5450 2.4124 2.4124 2.6806 2.6806 2.7337 2.7337 3.2277 3.2277 3.3734 3.3734 3.4688 3.4688 4.8061 4.8061 4.9588 4.9588 5.2643 5.2643 5.3088 5.3088 7.5442 7.5442 7.6316 7.6316 9.0431 9.0431 9.7791 9.7791 k = 0.6378-0.0237-0.3035 ( 5311 PWs) bands (ev): -21.1622 -21.1622 -21.1593 -21.1593 -8.3855 -8.3855 -8.1253 -8.1253 -7.8104 -7.8104 -7.3889 -7.3889 -6.2061 -6.2061 -5.9449 -5.9449 -5.8207 -5.8207 -5.6432 -5.6432 -4.9107 -4.9107 -4.5439 -4.5439 2.3757 2.3757 2.6437 2.6437 2.6899 2.6899 3.2110 3.2110 3.3726 3.3726 3.4750 3.4750 4.8204 4.8204 4.9568 4.9568 5.2718 5.2718 5.3365 5.3365 7.5987 7.5987 7.7015 7.7015 9.0694 9.0694 9.7692 9.7692 k = 0.6455-0.0389-0.3035 ( 5305 PWs) bands (ev): -21.1620 -21.1620 -21.1590 -21.1590 -8.3858 -8.3858 -8.1264 -8.1264 -7.8146 -7.8146 -7.3901 -7.3901 -6.1955 -6.1955 -5.9578 -5.9578 -5.8162 -5.8162 -5.6450 -5.6450 -4.8975 -4.8975 -4.5432 -4.5432 2.3396 2.3396 2.6059 2.6059 2.6472 2.6472 3.1951 3.1951 3.3703 3.3703 3.4813 3.4813 4.8333 4.8333 4.9552 4.9552 5.2760 5.2760 5.3647 5.3647 7.6552 7.6552 7.7712 7.7712 9.1006 9.1006 9.7593 9.7593 k = 0.6532-0.0542-0.3035 ( 5303 PWs) bands (ev): -21.1619 -21.1619 -21.1587 -21.1587 -8.3874 -8.3874 -8.1258 -8.1258 -7.8196 -7.8196 -7.3910 -7.3910 -6.1857 -6.1857 -5.9696 -5.9696 -5.8131 -5.8131 -5.6441 -5.6441 -4.8846 -4.8846 -4.5428 -4.5428 2.3038 2.3038 2.5673 2.5673 2.6059 2.6059 3.1800 3.1800 3.3670 3.3670 3.4868 3.4868 4.8443 4.8443 4.9543 4.9543 5.2776 5.2776 5.3924 5.3924 7.7136 7.7136 7.8408 7.8408 9.1364 9.1364 9.7496 9.7496 k = 0.6608-0.0694-0.3035 ( 5309 PWs) bands (ev): -21.1619 -21.1619 -21.1584 -21.1584 -8.3899 -8.3899 -8.1236 -8.1236 -7.8253 -7.8253 -7.3918 -7.3918 -6.1770 -6.1770 -5.9798 -5.9798 -5.8114 -5.8114 -5.6409 -5.6409 -4.8720 -4.8720 -4.5428 -4.5428 2.2683 2.2683 2.5283 2.5283 2.5663 2.5663 3.1662 3.1662 3.3630 3.3630 3.4909 3.4909 4.8534 4.8534 4.9544 4.9544 5.2768 5.2768 5.4193 5.4193 7.7733 7.7733 7.9100 7.9100 9.1767 9.1767 9.7406 9.7406 k = 0.6685-0.0847-0.3035 ( 5303 PWs) bands (ev): -21.1618 -21.1618 -21.1582 -21.1582 -8.3933 -8.3933 -8.1203 -8.1203 -7.8315 -7.8315 -7.3925 -7.3925 -6.1697 -6.1697 -5.9878 -5.9878 -5.8108 -5.8108 -5.6358 -5.6358 -4.8596 -4.8596 -4.5429 -4.5429 2.2328 2.2328 2.4887 2.4887 2.5289 2.5289 3.1537 3.1537 3.3588 3.3588 3.4932 3.4932 4.8603 4.8603 4.9555 4.9555 5.2742 5.2742 5.4450 5.4450 7.8343 7.8343 7.9787 7.9787 9.2212 9.2212 9.7325 9.7325 k = 0.3315-0.6605-0.0000 ( 5303 PWs) bands (ev): -21.1618 -21.1618 -21.1582 -21.1582 -8.3933 -8.3933 -8.1203 -8.1203 -7.8315 -7.8315 -7.3925 -7.3925 -6.1697 -6.1697 -5.9878 -5.9878 -5.8108 -5.8108 -5.6358 -5.6358 -4.8596 -4.8596 -4.5429 -4.5429 2.2328 2.2328 2.4887 2.4887 2.5289 2.5289 3.1537 3.1537 3.3588 3.3588 3.4932 3.4932 4.8603 4.8603 4.9555 4.9555 5.2742 5.2742 5.4450 5.4450 7.8343 7.8343 7.9787 7.9787 9.2212 9.2212 9.7325 9.7325 k = 0.3238-0.6451 0.0000 ( 5295 PWs) bands (ev): -21.1617 -21.1617 -21.1579 -21.1579 -8.3973 -8.3973 -8.1163 -8.1163 -7.8379 -7.8379 -7.3931 -7.3931 -6.1641 -6.1641 -5.9934 -5.9934 -5.8110 -5.8110 -5.6291 -5.6291 -4.8475 -4.8475 -4.5433 -4.5433 2.1969 2.1969 2.4479 2.4479 2.4946 2.4946 3.1427 3.1427 3.3544 3.3544 3.4931 3.4931 4.8650 4.8650 4.9575 4.9575 5.2700 5.2700 5.4694 5.4694 7.8967 7.8967 8.0473 8.0473 9.2698 9.2698 9.7256 9.7256 k = 0.3161-0.6298-0.0000 ( 5289 PWs) bands (ev): -21.1617 -21.1617 -21.1577 -21.1577 -8.4017 -8.4017 -8.1119 -8.1119 -7.8443 -7.8443 -7.3938 -7.3938 -6.1601 -6.1601 -5.9962 -5.9962 -5.8117 -5.8117 -5.6215 -5.6215 -4.8356 -4.8356 -4.5440 -4.5440 2.1605 2.1605 2.4059 2.4059 2.4643 2.4643 3.1333 3.1333 3.3500 3.3500 3.4905 3.4905 4.8675 4.8675 4.9604 4.9604 5.2645 5.2645 5.4922 5.4922 7.9598 7.9598 8.1154 8.1154 9.3220 9.3220 9.7201 9.7201 k = 0.3084-0.6144-0.0000 ( 5295 PWs) bands (ev): -21.1617 -21.1617 -21.1575 -21.1575 -8.4063 -8.4063 -8.1078 -8.1078 -7.8502 -7.8502 -7.3944 -7.3944 -6.1579 -6.1579 -5.9963 -5.9963 -5.8126 -5.8126 -5.6133 -5.6133 -4.8239 -4.8239 -4.5447 -4.5447 2.1234 2.1234 2.3628 2.3628 2.4385 2.4385 3.1256 3.1256 3.3457 3.3457 3.4851 3.4851 4.8682 4.8682 4.9638 4.9638 5.2580 5.2580 5.5133 5.5133 8.0234 8.0234 8.1830 8.1830 9.3773 9.3773 9.7163 9.7163 k = 0.3007-0.5990 0.0000 ( 5293 PWs) bands (ev): -21.1617 -21.1617 -21.1573 -21.1573 -8.4109 -8.4109 -8.1045 -8.1045 -7.8553 -7.8553 -7.3952 -7.3952 -6.1569 -6.1569 -5.9939 -5.9939 -5.8134 -5.8134 -5.6051 -5.6051 -4.8124 -4.8124 -4.5455 -4.5455 2.0857 2.0857 2.3187 2.3187 2.4175 2.4175 3.1197 3.1197 3.3415 3.3415 3.4767 3.4767 4.8671 4.8671 4.9675 4.9675 5.2508 5.2508 5.5326 5.5326 8.0874 8.0874 8.2500 8.2500 9.4351 9.4351 9.7143 9.7143 k = 0.2930-0.5837 0.0000 ( 5299 PWs) bands (ev): -21.1618 -21.1618 -21.1571 -21.1571 -8.4153 -8.4153 -8.1025 -8.1025 -7.8592 -7.8592 -7.3963 -7.3963 -6.1568 -6.1568 -5.9894 -5.9894 -5.8140 -5.8140 -5.5970 -5.5970 -4.8010 -4.8010 -4.5463 -4.5463 2.0473 2.0473 2.2738 2.2738 2.4012 2.4012 3.1155 3.1155 3.3375 3.3375 3.4653 3.4653 4.8647 4.8647 4.9715 4.9715 5.2431 5.2431 5.5500 5.5500 8.1515 8.1515 8.3165 8.3165 9.4950 9.4950 9.7142 9.7142 k = 0.2853-0.5683-0.0000 ( 5301 PWs) bands (ev): -21.1618 -21.1618 -21.1569 -21.1569 -8.4193 -8.4193 -8.1023 -8.1023 -7.8615 -7.8615 -7.3975 -7.3975 -6.1569 -6.1569 -5.9833 -5.9833 -5.8141 -5.8141 -5.5894 -5.5894 -4.7897 -4.7897 -4.5471 -4.5471 2.0083 2.0083 2.2284 2.2284 2.3896 2.3896 3.1131 3.1131 3.3334 3.3334 3.4509 3.4509 4.8610 4.8610 4.9756 4.9756 5.2351 5.2351 5.5656 5.5656 8.2157 8.2157 8.3826 8.3826 9.5560 9.5560 9.7164 9.7164 k = 0.2776-0.5530 0.0000 ( 5301 PWs) bands (ev): -21.1619 -21.1619 -21.1567 -21.1567 -8.4229 -8.4229 -8.1044 -8.1044 -7.8618 -7.8618 -7.3991 -7.3991 -6.1567 -6.1567 -5.9761 -5.9761 -5.8138 -5.8138 -5.5825 -5.5825 -4.7785 -4.7785 -4.5477 -4.5477 1.9689 1.9689 2.1826 2.1826 2.3825 2.3825 3.1123 3.1123 3.3293 3.3293 3.4336 3.4336 4.8561 4.8561 4.9799 4.9799 5.2268 5.2268 5.5793 5.5793 8.2798 8.2798 8.4483 8.4483 9.6170 9.6170 9.7212 9.7212 k = 0.2698-0.5376 0.0000 ( 5319 PWs) bands (ev): -21.1621 -21.1621 -21.1566 -21.1566 -8.4260 -8.4260 -8.1088 -8.1088 -7.8600 -7.8600 -7.4010 -7.4010 -6.1559 -6.1559 -5.9681 -5.9681 -5.8129 -5.8129 -5.5765 -5.5765 -4.7673 -4.7673 -4.5482 -4.5482 1.9294 1.9294 2.1366 2.1366 2.3798 2.3798 3.1133 3.1133 3.3249 3.3249 3.4136 3.4136 4.8502 4.8502 4.9848 4.9848 5.2184 5.2184 5.5911 5.5911 8.3435 8.3435 8.5136 8.5136 9.6749 9.6749 9.7306 9.7306 k = 0.2621-0.5222-0.0000 ( 5321 PWs) bands (ev): -21.1622 -21.1622 -21.1565 -21.1565 -8.4285 -8.4285 -8.1156 -8.1156 -7.8562 -7.8562 -7.4033 -7.4033 -6.1541 -6.1541 -5.9598 -5.9598 -5.8113 -5.8113 -5.5714 -5.5714 -4.7561 -4.7561 -4.5484 -4.5484 1.8899 1.8899 2.0906 2.0906 2.3813 2.3813 3.1159 3.1159 3.3196 3.3196 3.3916 3.3916 4.8434 4.8434 4.9902 4.9902 5.2099 5.2099 5.6012 5.6012 8.4069 8.4069 8.5786 8.5786 9.7157 9.7157 9.7570 9.7570 k = 0.2544-0.5069 0.0000 ( 5315 PWs) bands (ev): -21.1624 -21.1624 -21.1564 -21.1564 -8.4303 -8.4303 -8.1247 -8.1247 -7.8504 -7.8504 -7.4061 -7.4061 -6.1510 -6.1510 -5.9514 -5.9514 -5.8091 -5.8091 -5.5675 -5.5675 -4.7450 -4.7450 -4.5484 -4.5484 1.8507 1.8507 2.0447 2.0447 2.3868 2.3868 3.1200 3.1200 3.3120 3.3120 3.3692 3.3692 4.8360 4.8360 4.9963 4.9963 5.2012 5.2012 5.6095 5.6095 8.4696 8.4696 8.6433 8.6433 9.7320 9.7320 9.8058 9.8058 k = 0.2467-0.4915-0.0000 ( 5309 PWs) bands (ev): -21.1626 -21.1626 -21.1563 -21.1563 -8.4314 -8.4314 -8.1357 -8.1357 -7.8430 -7.8430 -7.4093 -7.4093 -6.1467 -6.1467 -5.9429 -5.9429 -5.8062 -5.8062 -5.5647 -5.5647 -4.7338 -4.7338 -4.5480 -4.5480 1.8120 1.8120 1.9989 1.9989 2.3961 2.3961 3.1253 3.1253 3.2990 3.2990 3.3498 3.3498 4.8280 4.8280 5.0032 5.0032 5.1924 5.1924 5.6161 5.6161 8.5315 8.5315 8.7076 8.7076 9.7428 9.7428 9.8527 9.8527 k = 0.2390-0.4762-0.0000 ( 5313 PWs) bands (ev): -21.1628 -21.1628 -21.1563 -21.1563 -8.4318 -8.4318 -8.1484 -8.1484 -7.8343 -7.8343 -7.4129 -7.4129 -6.1409 -6.1409 -5.9346 -5.9346 -5.8027 -5.8027 -5.5630 -5.5630 -4.7227 -4.7227 -4.5472 -4.5472 1.7738 1.7738 1.9535 1.9535 2.4090 2.4090 3.1316 3.1316 3.2772 3.2772 3.3372 3.3372 4.8199 4.8199 5.0109 5.0109 5.1837 5.1837 5.6212 5.6212 8.5923 8.5923 8.7716 8.7716 9.7522 9.7522 9.8754 9.8754 k = 0.2313-0.4608 0.0000 ( 5313 PWs) bands (ev): -21.1631 -21.1631 -21.1562 -21.1562 -8.4316 -8.4316 -8.1623 -8.1623 -7.8246 -7.8246 -7.4170 -7.4170 -6.1337 -6.1337 -5.9265 -5.9265 -5.7986 -5.7986 -5.5626 -5.5626 -4.7117 -4.7117 -4.5460 -4.5460 1.7363 1.7363 1.9086 1.9086 2.4255 2.4255 3.1380 3.1380 3.2488 3.2488 3.3302 3.3302 4.8118 4.8118 5.0190 5.0190 5.1753 5.1753 5.6247 5.6247 8.6519 8.6519 8.8352 8.8352 9.7597 9.7597 9.8809 9.8809 k = 0.2236-0.4454-0.0000 ( 5311 PWs) bands (ev): -21.1634 -21.1634 -21.1562 -21.1562 -8.4307 -8.4307 -8.1771 -8.1771 -7.8142 -7.8142 -7.4216 -7.4216 -6.1251 -6.1251 -5.9187 -5.9187 -5.7939 -5.7939 -5.5632 -5.5632 -4.7007 -4.7007 -4.5443 -4.5443 1.6997 1.6997 1.8642 1.8642 2.4452 2.4452 3.1419 3.1419 3.2188 3.2188 3.3262 3.3262 4.8039 4.8039 5.0273 5.0273 5.1675 5.1675 5.6267 5.6267 8.7099 8.7099 8.8981 8.8981 9.7636 9.7636 9.8836 9.8836 k = 0.2159-0.4301 0.0000 ( 5309 PWs) bands (ev): -21.1637 -21.1637 -21.1562 -21.1562 -8.4293 -8.4293 -8.1925 -8.1925 -7.8034 -7.8034 -7.4265 -7.4265 -6.1152 -6.1152 -5.9111 -5.9111 -5.7888 -5.7888 -5.5650 -5.5650 -4.6898 -4.6898 -4.5422 -4.5422 1.6641 1.6641 1.8204 1.8204 2.4680 2.4680 3.1353 3.1353 3.1971 3.1971 3.3241 3.3241 4.7965 4.7965 5.0349 5.0349 5.1613 5.1613 5.6274 5.6274 8.7659 8.7659 8.9604 8.9604 9.7610 9.7610 9.8844 9.8844 k = 0.2082-0.4147 0.0000 ( 5303 PWs) bands (ev): -21.1640 -21.1640 -21.1563 -21.1563 -8.4275 -8.4275 -8.2080 -8.2080 -7.7924 -7.7924 -7.4319 -7.4319 -6.1040 -6.1040 -5.9037 -5.9037 -5.7833 -5.7833 -5.5677 -5.5677 -4.6791 -4.6791 -4.5397 -4.5397 1.6294 1.6294 1.7774 1.7774 2.4938 2.4938 3.1088 3.1088 3.1932 3.1932 3.3234 3.3234 4.7897 4.7897 5.0408 5.0408 5.1577 5.1577 5.6267 5.6267 8.8196 8.8196 9.0217 9.0217 9.7477 9.7477 9.8830 9.8830 k = 0.2005-0.3994-0.0000 ( 5299 PWs) bands (ev): -21.1643 -21.1643 -21.1563 -21.1563 -8.4254 -8.4254 -8.2233 -8.2233 -7.7813 -7.7813 -7.4376 -7.4376 -6.0917 -6.0917 -5.8965 -5.8965 -5.7776 -5.7776 -5.5712 -5.5712 -4.6685 -4.6685 -4.5367 -4.5367 1.5958 1.5958 1.7353 1.7353 2.5224 2.5224 3.0707 3.0707 3.1991 3.1991 3.3245 3.3245 4.7837 4.7837 5.0436 5.0436 5.1583 5.1583 5.6247 5.6247 8.8705 8.8705 9.0818 9.0818 9.7188 9.7188 9.8792 9.8792 k = 0.1927-0.3840-0.0000 ( 5295 PWs) bands (ev): -21.1647 -21.1647 -21.1564 -21.1564 -8.4234 -8.4234 -8.2379 -8.2379 -7.7705 -7.7705 -7.4436 -7.4436 -6.0785 -6.0785 -5.8895 -5.8895 -5.7716 -5.7716 -5.5754 -5.5754 -4.6582 -4.6582 -4.5334 -4.5334 1.5634 1.5634 1.6941 1.6941 2.5536 2.5536 3.0280 3.0280 3.2076 3.2076 3.3276 3.3276 4.7784 4.7784 5.0423 5.0423 5.1638 5.1638 5.6215 5.6215 8.9179 8.9179 9.1404 9.1404 9.6719 9.6719 9.8731 9.8731 k = 0.1850-0.3686-0.0000 ( 5283 PWs) bands (ev): -21.1651 -21.1651 -21.1565 -21.1565 -8.4218 -8.4218 -8.2514 -8.2514 -7.7601 -7.7601 -7.4498 -7.4498 -6.0645 -6.0645 -5.8827 -5.8827 -5.7656 -5.7656 -5.5802 -5.5802 -4.6481 -4.6481 -4.5297 -4.5297 1.5321 1.5321 1.6539 1.6539 2.5870 2.5870 2.9832 2.9832 3.2157 3.2157 3.3335 3.3335 4.7740 4.7740 5.0370 5.0370 5.1744 5.1744 5.6171 5.6171 8.9611 8.9611 9.1970 9.1970 9.6093 9.6093 9.8652 9.8652 k = 0.1773-0.3533-0.0000 ( 5283 PWs) bands (ev): -21.1655 -21.1655 -21.1566 -21.1566 -8.4211 -8.4211 -8.2630 -8.2630 -7.7502 -7.7502 -7.4561 -7.4561 -6.0498 -6.0498 -5.8760 -5.8760 -5.7596 -5.7596 -5.5851 -5.5851 -4.6383 -4.6383 -4.5257 -4.5257 1.5020 1.5020 1.6148 1.6148 2.6223 2.6223 2.9375 2.9375 3.2224 3.2224 3.3427 3.3427 4.7703 4.7703 5.0288 5.0288 5.1891 5.1891 5.6116 5.6116 8.9995 8.9995 9.2511 9.2511 9.5359 9.5359 9.8553 9.8553 k = 0.1696-0.3379-0.0000 ( 5283 PWs) bands (ev): -21.1659 -21.1659 -21.1567 -21.1567 -8.4219 -8.4219 -8.2722 -8.2722 -7.7410 -7.7410 -7.4624 -7.4624 -6.0348 -6.0348 -5.8695 -5.8695 -5.7538 -5.7538 -5.5900 -5.5900 -4.6288 -4.6288 -4.5214 -4.5214 1.4731 1.4731 1.5769 1.5769 2.6588 2.6588 2.8919 2.8919 3.2270 3.2270 3.3553 3.3553 4.7671 4.7671 5.0187 5.0187 5.2070 5.2070 5.6051 5.6051 9.0318 9.0319 9.3020 9.3020 9.4561 9.4561 9.8432 9.8432 k = 0.1619-0.3226-0.0000 ( 5291 PWs) bands (ev): -21.1663 -21.1663 -21.1569 -21.1569 -8.4247 -8.4247 -8.2784 -8.2784 -7.7326 -7.7326 -7.4687 -7.4687 -6.0195 -6.0195 -5.8632 -5.8632 -5.7485 -5.7485 -5.5945 -5.5945 -4.6197 -4.6197 -4.5169 -4.5169 1.4453 1.4453 1.5404 1.5404 2.6946 2.6946 2.8487 2.8487 3.2296 3.2296 3.3713 3.3713 4.7643 4.7643 5.0078 5.0078 5.2270 5.2270 5.5977 5.5977 9.0571 9.0571 9.3485 9.3485 9.3738 9.3738 9.8289 9.8289 k = 0.1542-0.3072-0.0000 ( 5293 PWs) bands (ev): -21.1668 -21.1668 -21.1570 -21.1570 -8.4299 -8.4299 -8.2810 -8.2810 -7.7254 -7.7254 -7.4747 -7.4747 -6.0042 -6.0042 -5.8571 -5.8571 -5.7438 -5.7438 -5.5981 -5.5981 -4.6110 -4.6110 -4.5123 -4.5123 1.4188 1.4188 1.5051 1.5051 2.7217 2.7217 2.8158 2.8158 3.2304 3.2304 3.3901 3.3901 4.7615 4.7615 4.9967 4.9967 5.2486 5.2486 5.5894 5.5894 9.0741 9.0741 9.2897 9.2897 9.3916 9.3916 9.8128 9.8128 k = 0.1465-0.2918-0.0000 ( 5293 PWs) bands (ev): -21.1672 -21.1672 -21.1572 -21.1572 -8.4374 -8.4374 -8.2801 -8.2801 -7.7194 -7.7194 -7.4804 -7.4804 -5.9891 -5.9891 -5.8512 -5.8512 -5.7402 -5.7402 -5.6005 -5.6005 -4.6028 -4.6028 -4.5076 -4.5076 1.3935 1.3935 1.4714 1.4714 2.7154 2.7154 2.8182 2.8182 3.2299 3.2299 3.4112 3.4112 4.7584 4.7584 4.9863 4.9863 5.2712 5.2712 5.5805 5.5805 9.0811 9.0811 9.2077 9.2077 9.4280 9.4280 9.7957 9.7957 k = 0.1388-0.2765-0.0000 ( 5295 PWs) bands (ev): -21.1676 -21.1676 -21.1574 -21.1574 -8.4469 -8.4469 -8.2760 -8.2760 -7.7148 -7.7148 -7.4855 -7.4855 -5.9743 -5.9743 -5.8456 -5.8456 -5.7379 -5.7379 -5.6010 -5.6010 -4.5952 -4.5952 -4.5028 -4.5028 1.3693 1.3693 1.4391 1.4391 2.6799 2.6799 2.8517 2.8517 3.2284 3.2284 3.4342 3.4342 4.7547 4.7547 4.9769 4.9769 5.2942 5.2942 5.5711 5.5711 9.0749 9.0749 9.1309 9.1309 9.4580 9.4580 9.7785 9.7785 k = 0.1311-0.2611-0.0000 ( 5291 PWs) bands (ev): -21.1681 -21.1681 -21.1575 -21.1575 -8.4577 -8.4577 -8.2693 -8.2693 -7.7118 -7.7118 -7.4898 -7.4898 -5.9599 -5.9599 -5.8404 -5.8404 -5.7372 -5.7372 -5.5993 -5.5993 -4.5880 -4.5880 -4.4980 -4.4980 1.3461 1.3461 1.4086 1.4086 2.6376 2.6376 2.8939 2.8939 3.2264 3.2264 3.4585 3.4585 4.7499 4.7499 4.9690 4.9690 5.3170 5.3170 5.5617 5.5617 9.0339 9.0339 9.0815 9.0815 9.4807 9.4807 9.7624 9.7624 k = 0.1234-0.2458 0.0000 ( 5299 PWs) bands (ev): -21.1685 -21.1685 -21.1577 -21.1577 -8.4695 -8.4695 -8.2605 -8.2605 -7.7106 -7.7106 -7.4934 -7.4934 -5.9462 -5.9462 -5.8356 -5.8356 -5.7382 -5.7382 -5.5953 -5.5953 -4.5815 -4.5815 -4.4933 -4.4933 1.3241 1.3241 1.3798 1.3798 2.5942 2.5942 2.9390 2.9390 3.2241 3.2241 3.4839 3.4839 4.7438 4.7438 4.9628 4.9628 5.3389 5.3389 5.5527 5.5527 8.9637 8.9637 9.0555 9.0555 9.4961 9.4961 9.7482 9.7482 k = 0.1156-0.2304-0.0000 ( 5299 PWs) bands (ev): -21.1689 -21.1689 -21.1579 -21.1579 -8.4817 -8.4817 -8.2500 -8.2500 -7.7111 -7.7111 -7.4960 -7.4960 -5.9331 -5.9331 -5.8313 -5.8313 -5.7408 -5.7408 -5.5889 -5.5889 -4.5756 -4.5756 -4.4886 -4.4886 1.3030 1.3030 1.3529 1.3529 2.5514 2.5514 2.9853 2.9853 3.2218 3.2218 3.5101 3.5101 4.7363 4.7363 4.9584 4.9584 5.3588 5.3588 5.5450 5.5450 8.8927 8.8927 9.0264 9.0264 9.5046 9.5046 9.7357 9.7357 k = 0.1079-0.2150 0.0000 ( 5291 PWs) bands (ev): -21.1693 -21.1693 -21.1581 -21.1581 -8.4939 -8.4939 -8.2381 -8.2381 -7.7136 -7.7136 -7.4976 -7.4976 -5.9207 -5.9207 -5.8275 -5.8275 -5.7446 -5.7446 -5.5806 -5.5806 -4.5703 -4.5703 -4.4839 -4.4839 1.2827 1.2827 1.3280 1.3280 2.5098 2.5098 3.0317 3.0317 3.2197 3.2197 3.5367 3.5367 4.7274 4.7274 4.9557 4.9557 5.3756 5.3756 5.5396 5.5396 8.8247 8.8247 8.9929 8.9929 9.5076 9.5076 9.7244 9.7244 k = 0.1002-0.1997 0.0000 ( 5287 PWs) bands (ev): -21.1697 -21.1697 -21.1583 -21.1583 -8.5060 -8.5060 -8.2253 -8.2253 -7.7177 -7.7177 -7.4982 -7.4982 -5.9092 -5.9092 -5.8243 -5.8243 -5.7494 -5.7494 -5.5706 -5.5706 -4.5657 -4.5657 -4.4794 -4.4794 1.2633 1.2633 1.3053 1.3053 2.4699 2.4699 3.0774 3.0774 3.2185 3.2185 3.5636 3.5636 4.7174 4.7174 4.9544 4.9544 5.3875 5.3875 5.5382 5.5382 8.7606 8.7606 8.9567 8.9567 9.5067 9.5067 9.7136 9.7136 k = 0.0925-0.1843-0.0000 ( 5283 PWs) bands (ev): -21.1701 -21.1701 -21.1584 -21.1584 -8.5176 -8.5176 -8.2117 -8.2117 -7.7236 -7.7236 -7.4981 -7.4981 -5.8984 -5.8984 -5.8216 -5.8216 -5.7548 -5.7548 -5.5595 -5.5595 -4.5618 -4.5618 -4.4749 -4.4749 1.2446 1.2446 1.2848 1.2848 2.4320 2.4320 3.1206 3.1206 3.2193 3.2193 3.5905 3.5905 4.7065 4.7065 4.9540 4.9540 5.3934 5.3934 5.5418 5.5418 8.7008 8.7008 8.9201 8.9201 9.5036 9.5036 9.7033 9.7033 k = 0.0848-0.1690-0.0000 ( 5295 PWs) bands (ev): -21.1704 -21.1704 -21.1586 -21.1586 -8.5287 -8.5287 -8.1976 -8.1976 -7.7308 -7.7308 -7.4972 -7.4972 -5.8884 -5.8884 -5.8195 -5.8195 -5.7603 -5.7603 -5.5476 -5.5476 -4.5586 -4.5586 -4.4707 -4.4707 1.2267 1.2267 1.2666 1.2666 2.3962 2.3962 3.1571 3.1571 3.2261 3.2261 3.6172 3.6172 4.6950 4.6950 4.9543 4.9543 5.3931 5.3931 5.5504 5.5504 8.6455 8.6455 8.8847 8.8847 9.5000 9.5000 9.6931 9.6931 k = 0.0771-0.1536 0.0000 ( 5295 PWs) bands (ev): -21.1708 -21.1708 -21.1588 -21.1588 -8.5392 -8.5392 -8.1831 -8.1831 -7.7393 -7.7393 -7.4958 -7.4958 -5.8792 -5.8792 -5.8181 -5.8181 -5.7657 -5.7657 -5.5354 -5.5354 -4.5559 -4.5559 -4.4666 -4.4666 1.2097 1.2097 1.2504 1.2504 2.3630 2.3630 3.1785 3.1785 3.2467 3.2467 3.6433 3.6433 4.6832 4.6832 4.9547 4.9547 5.3880 5.3880 5.5628 5.5628 8.5948 8.5948 8.8524 8.8524 9.4969 9.4969 9.6686 9.6686 k = 0.0694-0.1382-0.0000 ( 5301 PWs) bands (ev): -21.1711 -21.1711 -21.1589 -21.1589 -8.5488 -8.5488 -8.1686 -8.1686 -7.7487 -7.7487 -7.4941 -7.4941 -5.8708 -5.8708 -5.8173 -5.8173 -5.7707 -5.7707 -5.5232 -5.5232 -4.5538 -4.5538 -4.4628 -4.4628 1.1937 1.1937 1.2363 1.2363 2.3323 2.3323 3.1856 3.1856 3.2799 3.2799 3.6686 3.6686 4.6716 4.6716 4.9550 4.9550 5.3796 5.3796 5.5774 5.5774 8.5490 8.5490 8.8244 8.8244 9.4949 9.4949 9.6202 9.6202 k = 0.0617-0.1229 0.0000 ( 5295 PWs) bands (ev): -21.1714 -21.1714 -21.1591 -21.1591 -8.5576 -8.5576 -8.1541 -8.1541 -7.7587 -7.7587 -7.4921 -7.4921 -5.8633 -5.8633 -5.8172 -5.8172 -5.7751 -5.7751 -5.5114 -5.5114 -4.5522 -4.5522 -4.4593 -4.4593 1.1791 1.1791 1.2240 1.2240 2.3044 2.3044 3.1871 3.1871 3.3165 3.3165 3.6928 3.6928 4.6603 4.6603 4.9550 4.9550 5.3694 5.3694 5.5926 5.5926 8.5080 8.5080 8.8019 8.8019 9.4920 9.4920 9.5570 9.5570 k = 0.0540-0.1075-0.0000 ( 5295 PWs) bands (ev): -21.1716 -21.1716 -21.1592 -21.1592 -8.5655 -8.5655 -8.1400 -8.1400 -7.7691 -7.7691 -7.4901 -7.4901 -5.8565 -5.8565 -5.8178 -5.8178 -5.7788 -5.7788 -5.5003 -5.5003 -4.5510 -4.5510 -4.4561 -4.4561 1.1659 1.1659 1.2133 1.2133 2.2794 2.2794 3.1868 3.1868 3.3521 3.3521 3.7156 3.7156 4.6496 4.6496 4.9546 4.9546 5.3587 5.3587 5.6074 5.6074 8.4720 8.4720 8.7856 8.7856 9.4605 9.4605 9.5162 9.5162 k = 0.0463-0.0922-0.0000 ( 5297 PWs) bands (ev): -21.1719 -21.1719 -21.1593 -21.1593 -8.5724 -8.5724 -8.1265 -8.1265 -7.7794 -7.7794 -7.4881 -7.4881 -5.8505 -5.8505 -5.8189 -5.8189 -5.7817 -5.7817 -5.4901 -5.4901 -4.5502 -4.5502 -4.4532 -4.4532 1.1543 1.1543 1.2043 1.2043 2.2576 2.2576 3.1859 3.1859 3.3849 3.3849 3.7366 3.7366 4.6398 4.6398 4.9537 4.9537 5.3480 5.3480 5.6212 5.6212 8.4408 8.4408 8.7759 8.7759 9.3889 9.3889 9.5172 9.5172 k = 0.0385-0.0768 0.0000 ( 5307 PWs) bands (ev): -21.1721 -21.1721 -21.1594 -21.1594 -8.5784 -8.5784 -8.1140 -8.1140 -7.7893 -7.7893 -7.4862 -7.4862 -5.8454 -5.8454 -5.8204 -5.8204 -5.7839 -5.7839 -5.4810 -5.4810 -4.5497 -4.5497 -4.4507 -4.4507 1.1443 1.1443 1.1967 1.1967 2.2389 2.2389 3.1848 3.1848 3.4140 3.4140 3.7554 3.7554 4.6310 4.6310 4.9525 4.9525 5.3381 5.3381 5.6335 5.6335 8.4145 8.4145 8.7730 8.7730 9.3147 9.3147 9.5266 9.5266 k = 0.0308-0.0614-0.0000 ( 5307 PWs) bands (ev): -21.1722 -21.1722 -21.1595 -21.1595 -8.5833 -8.5833 -8.1029 -8.1029 -7.7983 -7.7983 -7.4846 -7.4846 -5.8410 -5.8410 -5.8221 -5.8221 -5.7854 -5.7854 -5.4734 -5.4734 -4.5494 -4.5494 -4.4486 -4.4486 1.1361 1.1361 1.1905 1.1905 2.2234 2.2234 3.1838 3.1838 3.4388 3.4388 3.7716 3.7716 4.6236 4.6236 4.9510 4.9510 5.3294 5.3294 5.6440 5.6440 8.3930 8.3930 8.7764 8.7764 9.2453 9.2453 9.5399 9.5399 k = 0.0231-0.0461-0.0000 ( 5317 PWs) bands (ev): -21.1724 -21.1724 -21.1596 -21.1596 -8.5871 -8.5871 -8.0935 -8.0935 -7.8061 -7.8061 -7.4833 -7.4833 -5.8374 -5.8374 -5.8239 -5.8239 -5.7865 -5.7865 -5.4672 -5.4672 -4.5492 -4.5492 -4.4470 -4.4470 1.1296 1.1296 1.1858 1.1858 2.2113 2.2113 3.1829 3.1829 3.4585 3.4585 3.7847 3.7847 4.6175 4.6175 4.9496 4.9496 5.3222 5.3222 5.6524 5.6524 8.3763 8.3763 8.7851 8.7851 9.1839 9.1839 9.5559 9.5559 k = 0.0154-0.0307-0.0000 ( 5319 PWs) bands (ev): -21.1725 -21.1725 -21.1596 -21.1596 -8.5899 -8.5899 -8.0864 -8.0864 -7.8121 -7.8121 -7.4823 -7.4823 -5.8345 -5.8345 -5.8256 -5.8256 -5.7872 -5.7872 -5.4628 -5.4628 -4.5491 -4.5491 -4.4458 -4.4458 1.1250 1.1250 1.1824 1.1824 2.2027 2.2027 3.1823 3.1823 3.4730 3.4730 3.7945 3.7945 4.6131 4.6131 4.9483 4.9483 5.3169 5.3169 5.6584 5.6584 8.3645 8.3645 8.7967 8.7967 9.1341 9.1341 9.5733 9.5733 k = 0.0077-0.0154-0.0000 ( 5321 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5915 -8.5915 -8.0819 -8.0819 -7.8159 -7.8159 -7.4817 -7.4817 -5.8323 -5.8323 -5.8271 -5.8271 -5.7876 -5.7876 -5.4600 -5.4600 -4.5491 -4.5491 -4.4451 -4.4451 1.1222 1.1222 1.1804 1.1804 2.1974 2.1974 3.1819 3.1819 3.4817 3.4817 3.8005 3.8005 4.6104 4.6104 4.9475 4.9475 5.3136 5.3136 5.6621 5.6621 8.3574 8.3574 8.8071 8.8071 9.1004 9.1004 9.5903 9.5903 k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5921 -8.5921 -8.0804 -8.0804 -7.8172 -7.8172 -7.4815 -7.4815 -5.8313 -5.8313 -5.8278 -5.8278 -5.7877 -5.7877 -5.4591 -5.4591 -4.5491 -4.5491 -4.4449 -4.4449 1.1213 1.1213 1.1797 1.1797 2.1957 2.1957 3.1818 3.1818 3.4847 3.4847 3.8025 3.8025 4.6094 4.6094 4.9472 4.9472 5.3125 5.3125 5.6634 5.6634 8.3550 8.3550 8.8115 8.8115 9.0882 9.0882 9.6001 9.6001 k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5921 -8.5921 -8.0804 -8.0804 -7.8172 -7.8172 -7.4815 -7.4815 -5.8313 -5.8313 -5.8278 -5.8278 -5.7877 -5.7877 -5.4591 -5.4591 -4.5491 -4.5491 -4.4449 -4.4449 1.1213 1.1213 1.1797 1.1797 2.1957 2.1957 3.1818 3.1818 3.4847 3.4847 3.8025 3.8025 4.6094 4.6094 4.9472 4.9472 5.3125 5.3125 5.6634 5.6634 8.3550 8.3550 8.8115 8.8115 9.0882 9.0882 9.6001 9.6001 k = 0.0135-0.0101-0.0041 ( 5321 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5915 -8.5915 -8.0820 -8.0820 -7.8158 -7.8158 -7.4818 -7.4818 -5.8326 -5.8326 -5.8268 -5.8268 -5.7876 -5.7876 -5.4600 -5.4600 -4.5491 -4.5491 -4.4454 -4.4454 1.1226 1.1226 1.1809 1.1809 2.1975 2.1975 3.1819 3.1819 3.4823 3.4823 3.8006 3.8006 4.6103 4.6103 4.9475 4.9475 5.3130 5.3130 5.6621 5.6621 8.3571 8.3571 8.8088 8.8088 9.0964 9.0964 9.5843 9.5843 k = 0.0270-0.0201-0.0082 ( 5314 PWs) bands (ev): -21.1725 -21.1725 -21.1596 -21.1596 -8.5897 -8.5897 -8.0867 -8.0867 -7.8115 -7.8115 -7.4825 -7.4825 -5.8354 -5.8354 -5.8249 -5.8249 -5.7872 -5.7872 -5.4627 -5.4627 -4.5492 -4.5492 -4.4468 -4.4468 1.1264 1.1264 1.1848 1.1848 2.2028 2.2028 3.1823 3.1823 3.4753 3.4753 3.7951 3.7951 4.6128 4.6128 4.9485 4.9485 5.3147 5.3147 5.6585 5.6585 8.3635 8.3635 8.8020 8.8020 9.1188 9.1188 9.5575 9.5575 k = 0.0405-0.0302-0.0123 ( 5308 PWs) bands (ev): -21.1724 -21.1724 -21.1596 -21.1596 -8.5867 -8.5867 -8.0941 -8.0941 -7.8049 -7.8049 -7.4837 -7.4837 -5.8389 -5.8389 -5.8228 -5.8228 -5.7866 -5.7866 -5.4671 -5.4671 -4.5497 -4.5497 -4.4489 -4.4489 1.1313 1.1313 1.1924 1.1924 2.2117 2.2117 3.1830 3.1830 3.4637 3.4637 3.7863 3.7863 4.6169 4.6169 4.9501 4.9501 5.3173 5.3173 5.6525 5.6525 8.3741 8.3741 8.7941 8.7941 9.1507 9.1507 9.5321 9.5321 k = 0.0541-0.0403-0.0164 ( 5304 PWs) bands (ev): -21.1722 -21.1722 -21.1596 -21.1596 -8.5825 -8.5825 -8.1038 -8.1038 -7.7962 -7.7962 -7.4853 -7.4853 -5.8433 -5.8433 -5.8207 -5.8207 -5.7854 -5.7854 -5.4731 -5.4731 -4.5507 -4.5507 -4.4516 -4.4516 1.1361 1.1361 1.2052 1.2052 2.2241 2.2241 3.1837 3.1837 3.4477 3.4477 3.7745 3.7745 4.6225 4.6225 4.9519 4.9519 5.3208 5.3208 5.6443 5.6443 8.3891 8.3891 8.7877 8.7877 9.1858 9.1858 9.5143 9.5143 k = 0.0676-0.0503-0.0205 ( 5307 PWs) bands (ev): -21.1721 -21.1721 -21.1595 -21.1595 -8.5773 -8.5773 -8.1153 -8.1153 -7.7861 -7.7861 -7.4873 -7.4873 -5.8486 -5.8486 -5.8187 -5.8187 -5.7837 -5.7837 -5.4805 -5.4805 -4.5526 -4.5526 -4.4543 -4.4543 1.1398 1.1398 1.2239 1.2239 2.2399 2.2399 3.1844 3.1844 3.4277 3.4277 3.7605 3.7605 4.6292 4.6292 4.9539 4.9539 5.3249 5.3249 5.6342 5.6342 8.4083 8.4083 8.7843 8.7843 9.2169 9.2169 9.5099 9.5099 k = 0.0811-0.0604-0.0246 ( 5293 PWs) bands (ev): -21.1719 -21.1719 -21.1594 -21.1594 -8.5709 -8.5709 -8.1280 -8.1280 -7.7751 -7.7751 -7.4897 -7.4897 -5.8549 -5.8549 -5.8171 -5.8171 -5.7812 -5.7812 -5.4891 -5.4891 -4.5560 -4.5560 -4.4565 -4.4565 1.1420 1.1420 1.2487 1.2487 2.2590 2.2590 3.1848 3.1848 3.4042 3.4042 3.7447 3.7447 4.6370 4.6370 4.9559 4.9559 5.3294 5.3294 5.6226 5.6226 8.4318 8.4318 8.7843 8.7843 9.2370 9.2370 9.5237 9.5237 k = 0.0946-0.0705-0.0287 ( 5292 PWs) bands (ev): -21.1717 -21.1717 -21.1594 -21.1594 -8.5635 -8.5635 -8.1416 -8.1416 -7.7634 -7.7634 -7.4924 -7.4924 -5.8621 -5.8621 -5.8160 -5.8160 -5.7779 -5.7779 -5.4988 -5.4988 -4.5614 -4.5614 -4.4579 -4.4579 1.1431 1.1431 1.2792 1.2792 2.2812 2.2812 3.1843 3.1843 3.3781 3.3781 3.7277 3.7277 4.6454 4.6454 4.9575 4.9575 5.3342 5.3342 5.6098 5.6098 8.4597 8.4597 8.7874 8.7874 9.2440 9.2440 9.5547 9.5547 k = 0.1081-0.0806-0.0328 ( 5290 PWs) bands (ev): -21.1714 -21.1714 -21.1593 -21.1593 -8.5552 -8.5552 -8.1557 -8.1557 -7.7516 -7.7516 -7.4954 -7.4954 -5.8703 -5.8703 -5.8155 -5.8155 -5.7738 -5.7738 -5.5092 -5.5092 -4.5690 -4.5690 -4.4579 -4.4579 1.1435 1.1435 1.3147 1.3147 2.3065 2.3065 3.1823 3.1823 3.3504 3.3504 3.7098 3.7098 4.6542 4.6542 4.9587 4.9587 5.3390 5.3390 5.5964 5.5964 8.4919 8.4919 8.7927 8.7927 9.2416 9.2416 9.5942 9.5942 k = 0.1216-0.0906-0.0369 ( 5288 PWs) bands (ev): -21.1711 -21.1711 -21.1592 -21.1592 -8.5460 -8.5460 -8.1699 -8.1699 -7.7398 -7.7398 -7.4986 -7.4986 -5.8795 -5.8795 -5.8157 -5.8157 -5.7690 -5.7690 -5.5201 -5.5201 -4.5789 -4.5789 -4.4565 -4.4565 1.1432 1.1432 1.3550 1.3550 2.3347 2.3347 3.1775 3.1775 3.3228 3.3228 3.6915 3.6915 4.6630 4.6630 4.9595 4.9595 5.3435 5.3435 5.5829 5.5829 8.5283 8.5283 8.7988 8.7988 9.2350 9.2350 9.6301 9.6301 k = 0.1351-0.1007-0.0410 ( 5290 PWs) bands (ev): -21.1708 -21.1708 -21.1591 -21.1591 -8.5360 -8.5360 -8.1841 -8.1841 -7.7283 -7.7283 -7.5019 -7.5019 -5.8896 -5.8896 -5.8165 -5.8165 -5.7639 -5.7639 -5.5311 -5.5311 -4.5911 -4.5911 -4.4536 -4.4536 1.1426 1.1426 1.3995 1.3995 2.3656 2.3656 3.1680 3.1680 3.2978 3.2978 3.6729 3.6729 4.6713 4.6713 4.9598 4.9598 5.3475 5.3475 5.5700 5.5700 8.5688 8.5688 8.8040 8.8040 9.2280 9.2280 9.6441 9.6441 k = 0.1486-0.1108-0.0451 ( 5284 PWs) bands (ev): -21.1705 -21.1705 -21.1590 -21.1590 -8.5253 -8.5253 -8.1980 -8.1980 -7.7174 -7.7174 -7.5053 -7.5053 -5.9004 -5.9004 -5.8178 -5.8178 -5.7587 -5.7587 -5.5420 -5.5420 -4.6052 -4.6052 -4.4496 -4.4496 1.1416 1.1416 1.4479 1.4479 2.3990 2.3990 3.1519 3.1519 3.2778 3.2778 3.6544 3.6544 4.6787 4.6787 4.9599 4.9599 5.3506 5.3506 5.5586 5.5586 8.6129 8.6129 8.8063 8.8063 9.2229 9.2229 9.6126 9.6126 k = 0.1622-0.1208-0.0492 ( 5283 PWs) bands (ev): -21.1701 -21.1701 -21.1589 -21.1589 -8.5141 -8.5141 -8.2114 -8.2114 -7.7071 -7.7071 -7.5086 -7.5086 -5.9121 -5.9121 -5.8195 -5.8195 -5.7540 -5.7540 -5.5524 -5.5524 -4.6210 -4.6210 -4.4445 -4.4445 1.1403 1.1403 1.4999 1.4999 2.4347 2.4347 3.1285 3.1285 3.2640 3.2640 3.6360 3.6360 4.6847 4.6847 4.9600 4.9600 5.3525 5.3525 5.5495 5.5495 8.6599 8.6599 8.8042 8.8042 9.2209 9.2209 9.5589 9.5589 k = 0.1757-0.1309-0.0533 ( 5286 PWs) bands (ev): -21.1698 -21.1698 -21.1588 -21.1588 -8.5026 -8.5026 -8.2241 -8.2241 -7.6977 -7.6977 -7.5117 -7.5117 -5.9244 -5.9244 -5.8216 -5.8216 -5.7499 -5.7499 -5.5621 -5.5621 -4.6380 -4.6380 -4.4386 -4.4386 1.1388 1.1388 1.5552 1.5552 2.4724 2.4724 3.0992 3.0992 3.2553 3.2553 3.6179 3.6179 4.6890 4.6890 4.9604 4.9604 5.3530 5.3530 5.5435 5.5435 8.7071 8.7071 8.7977 8.7977 9.2223 9.2223 9.4969 9.4969 k = 0.1892-0.1410-0.0574 ( 5287 PWs) bands (ev): -21.1694 -21.1694 -21.1586 -21.1586 -8.4910 -8.4910 -8.2359 -8.2359 -7.6892 -7.6892 -7.5145 -7.5145 -5.9373 -5.9373 -5.8241 -5.8241 -5.7468 -5.7468 -5.5708 -5.5708 -4.6560 -4.6560 -4.4322 -4.4322 1.1371 1.1371 1.6133 1.6133 2.5119 2.5119 3.0664 3.0664 3.2496 3.2496 3.6002 3.6002 4.6913 4.6913 4.9613 4.9613 5.3518 5.3518 5.5409 5.5409 8.7377 8.7377 8.8010 8.8010 9.2259 9.2259 9.4335 9.4335 k = 0.2027-0.1510-0.0615 ( 5295 PWs) bands (ev): -21.1690 -21.1690 -21.1585 -21.1585 -8.4794 -8.4794 -8.2465 -8.2465 -7.6818 -7.6818 -7.5171 -7.5171 -5.9506 -5.9506 -5.8269 -5.8269 -5.7449 -5.7449 -5.5784 -5.5784 -4.6745 -4.6745 -4.4253 -4.4253 1.1352 1.1352 1.6739 1.6739 2.5529 2.5529 3.0321 3.0321 3.2454 3.2454 3.5829 3.5829 4.6913 4.6913 4.9629 4.9629 5.3495 5.3495 5.5421 5.5421 8.7211 8.7211 8.8418 8.8418 9.2270 9.2270 9.3779 9.3779 k = 0.2162-0.1611-0.0656 ( 5290 PWs) bands (ev): -21.1685 -21.1685 -21.1584 -21.1584 -8.4682 -8.4682 -8.2558 -8.2558 -7.6754 -7.6754 -7.5192 -7.5192 -5.9641 -5.9641 -5.8301 -5.8301 -5.7444 -5.7444 -5.5848 -5.5848 -4.6933 -4.6933 -4.4180 -4.4180 1.1331 1.1331 1.7366 1.7366 2.5949 2.5949 2.9977 2.9977 3.2417 3.2417 3.5661 3.5661 4.6890 4.6890 4.9653 4.9653 5.3465 5.3465 5.5466 5.5466 8.6773 8.6773 8.8978 8.8978 9.2143 9.2143 9.3451 9.3451 k = 0.2297-0.1712-0.0697 ( 5285 PWs) bands (ev): -21.1681 -21.1681 -21.1582 -21.1582 -8.4577 -8.4577 -8.2634 -8.2634 -7.6701 -7.6701 -7.5208 -7.5208 -5.9777 -5.9777 -5.8337 -5.8337 -5.7454 -5.7454 -5.5901 -5.5901 -4.7119 -4.7119 -4.4106 -4.4106 1.1309 1.1309 1.8009 1.8009 2.6377 2.6377 2.9642 2.9642 3.2379 3.2379 3.5498 3.5498 4.6847 4.6847 4.9685 4.9685 5.3437 5.3437 5.5541 5.5541 8.6159 8.6159 8.9573 8.9573 9.1816 9.1816 9.3443 9.3443 k = 0.2432-0.1813-0.0738 ( 5283 PWs) bands (ev): -21.1677 -21.1677 -21.1581 -21.1581 -8.4482 -8.4482 -8.2692 -8.2692 -7.6658 -7.6658 -7.5220 -7.5220 -5.9912 -5.9912 -5.8376 -5.8376 -5.7475 -5.7475 -5.5947 -5.5947 -4.7302 -4.7302 -4.4031 -4.4031 1.1286 1.1286 1.8666 1.8666 2.6805 2.6805 2.9325 2.9325 3.2336 3.2336 3.5338 3.5338 4.6787 4.6787 4.9723 4.9723 5.3419 5.3419 5.5640 5.5640 8.5391 8.5391 9.0177 9.0177 9.1417 9.1417 9.3644 9.3644 k = 0.2568-0.1913-0.0779 ( 5293 PWs) bands (ev): -21.1672 -21.1672 -21.1580 -21.1580 -8.4401 -8.4401 -8.2729 -8.2729 -7.6623 -7.6623 -7.5227 -7.5227 -6.0044 -6.0044 -5.8420 -5.8420 -5.7507 -5.7507 -5.5990 -5.5990 -4.7477 -4.7477 -4.3956 -4.3956 1.1261 1.1261 1.9331 1.9331 2.7222 2.7222 2.9036 2.9036 3.2286 3.2286 3.5182 3.5182 4.6715 4.6715 4.9768 4.9768 5.3416 5.3416 5.5756 5.5756 8.4492 8.4492 9.0741 9.0741 9.1070 9.1070 9.3961 9.3961 k = 0.2703-0.2014-0.0820 ( 5297 PWs) bands (ev): -21.1668 -21.1668 -21.1579 -21.1579 -8.4336 -8.4336 -8.2744 -8.2744 -7.6596 -7.6596 -7.5232 -7.5232 -6.0172 -6.0172 -5.8469 -5.8469 -5.7546 -5.7546 -5.6033 -5.6033 -4.7642 -4.7642 -4.3881 -4.3881 1.1236 1.1236 2.0000 2.0000 2.7604 2.7604 2.8802 2.8802 3.2231 3.2231 3.5027 3.5027 4.6634 4.6634 4.9819 4.9819 5.3432 5.3432 5.5885 5.5885 8.3490 8.3490 9.0640 9.0640 9.1412 9.1412 9.4361 9.4361 k = 0.2838-0.2115-0.0861 ( 5302 PWs) bands (ev): -21.1664 -21.1664 -21.1577 -21.1577 -8.4290 -8.4290 -8.2736 -8.2736 -7.6573 -7.6573 -7.5234 -7.5234 -6.0292 -6.0292 -5.8522 -5.8522 -5.7589 -5.7589 -5.6081 -5.6081 -4.7794 -4.7794 -4.3808 -4.3808 1.1211 1.1211 2.0668 2.0668 2.7867 2.7867 2.8703 2.8703 3.2172 3.2172 3.4873 3.4873 4.6550 4.6550 4.9878 4.9878 5.3469 5.3469 5.6023 5.6023 8.2416 8.2416 9.0331 9.0331 9.1974 9.1974 9.4831 9.4831 k = 0.2973-0.2215-0.0902 ( 5301 PWs) bands (ev): -21.1659 -21.1659 -21.1576 -21.1576 -8.4261 -8.4261 -8.2707 -8.2707 -7.6554 -7.6554 -7.5236 -7.5236 -6.0404 -6.0404 -5.8581 -5.8581 -5.7634 -5.7634 -5.6136 -5.6136 -4.7932 -4.7932 -4.3737 -4.3737 1.1186 1.1186 2.1329 2.1329 2.7887 2.7887 2.8860 2.8860 3.2111 3.2111 3.4718 3.4718 4.6466 4.6466 4.9947 4.9947 5.3525 5.3525 5.6166 5.6166 8.1295 8.1295 9.0040 9.0040 9.2520 9.2520 9.5363 9.5363 k = 0.3108-0.2316-0.0943 ( 5305 PWs) bands (ev): -21.1655 -21.1655 -21.1575 -21.1575 -8.4247 -8.4247 -8.2662 -8.2662 -7.6535 -7.6535 -7.5238 -7.5238 -6.0505 -6.0505 -5.8646 -5.8646 -5.7678 -5.7678 -5.6202 -5.6202 -4.8053 -4.8053 -4.3668 -4.3668 1.1160 1.1160 2.1977 2.1977 2.7759 2.7759 2.9175 2.9175 3.2052 3.2052 3.4560 3.4560 4.6387 4.6387 5.0028 5.0028 5.3599 5.3599 5.6311 5.6311 8.0147 8.0147 8.9766 8.9766 9.3043 9.3043 9.5945 9.5945 k = 0.3243-0.2417-0.0984 ( 5308 PWs) bands (ev): -21.1651 -21.1651 -21.1574 -21.1574 -8.4245 -8.4245 -8.2605 -8.2605 -7.6514 -7.6514 -7.5242 -7.5242 -6.0594 -6.0594 -5.8717 -5.8717 -5.7719 -5.7719 -5.6279 -5.6279 -4.8158 -4.8158 -4.3602 -4.3602 1.1135 1.1135 2.2606 2.2606 2.7606 2.7606 2.9520 2.9520 3.2001 3.2001 3.4398 3.4398 4.6316 4.6316 5.0125 5.0125 5.3686 5.3686 5.6455 5.6455 7.8991 7.8991 8.9505 8.9505 9.3548 9.3548 9.6562 9.6562 k = 0.3378-0.2517-0.1025 ( 5306 PWs) bands (ev): -21.1647 -21.1647 -21.1573 -21.1573 -8.4251 -8.4251 -8.2541 -8.2541 -7.6491 -7.6491 -7.5249 -7.5249 -6.0669 -6.0669 -5.8794 -5.8794 -5.7757 -5.7757 -5.6367 -5.6367 -4.8246 -4.8246 -4.3539 -4.3539 1.1111 1.1111 2.3206 2.3206 2.7471 2.7471 2.9848 2.9848 3.1965 3.1965 3.4230 3.4230 4.6256 4.6256 5.0239 5.0239 5.3782 5.3782 5.6596 5.6596 7.7841 7.7841 8.9256 8.9256 9.4039 9.4039 9.7196 9.7196 k = 0.3514-0.2618-0.1066 ( 5308 PWs) bands (ev): -21.1643 -21.1643 -21.1572 -21.1572 -8.4262 -8.4262 -8.2474 -8.2474 -7.6462 -7.6462 -7.5261 -7.5261 -6.0729 -6.0729 -5.8878 -5.8878 -5.7791 -5.7791 -5.6465 -5.6465 -4.8317 -4.8317 -4.3480 -4.3480 1.1087 1.1087 2.3766 2.3766 2.7373 2.7373 3.0135 3.0135 3.1954 3.1954 3.4056 3.4056 4.6209 4.6209 5.0373 5.0373 5.3883 5.3883 5.6732 5.6732 7.6712 7.6712 8.9019 8.9019 9.4521 9.4521 9.7829 9.7829 k = 0.3649-0.2719-0.1107 ( 5301 PWs) bands (ev): -21.1640 -21.1640 -21.1571 -21.1571 -8.4277 -8.4277 -8.2408 -8.2408 -7.6427 -7.6427 -7.5277 -7.5277 -6.0774 -6.0774 -5.8969 -5.8969 -5.7820 -5.7820 -5.6570 -5.6570 -4.8373 -4.8373 -4.3425 -4.3425 1.1065 1.1065 2.4270 2.4270 2.7326 2.7326 3.0365 3.0365 3.1978 3.1978 3.3877 3.3877 4.6177 4.6177 5.0528 5.0528 5.3984 5.3984 5.6861 5.6861 7.5615 7.5615 8.8795 8.8795 9.4997 9.4997 9.8437 9.8437 k = 0.3784-0.2820-0.1148 ( 5300 PWs) bands (ev): -21.1636 -21.1636 -21.1571 -21.1571 -8.4292 -8.4292 -8.2345 -8.2345 -7.6386 -7.6386 -7.5299 -7.5299 -6.0802 -6.0802 -5.9067 -5.9067 -5.7844 -5.7844 -5.6680 -5.6680 -4.8415 -4.8415 -4.3374 -4.3374 1.1044 1.1044 2.4698 2.4698 2.7350 2.7350 3.0527 3.0527 3.2043 3.2043 3.3692 3.3692 4.6161 4.6161 5.0701 5.0701 5.4083 5.4083 5.6981 5.6981 7.4562 7.4562 8.8586 8.8586 9.5468 9.5468 9.8996 9.8996 k = 0.3919-0.2920-0.1189 ( 5297 PWs) bands (ev): -21.1633 -21.1633 -21.1570 -21.1570 -8.4307 -8.4307 -8.2288 -8.2288 -7.6338 -7.6338 -7.5327 -7.5327 -6.0813 -6.0813 -5.9171 -5.9171 -5.7863 -5.7863 -5.6791 -5.6791 -4.8446 -4.8446 -4.3328 -4.3328 1.1025 1.1025 2.5030 2.5030 2.7462 2.7462 3.0622 3.0622 3.2143 3.2143 3.3505 3.3505 4.6160 4.6160 5.0891 5.0891 5.4174 5.4174 5.7091 5.7091 7.3566 7.3566 8.8394 8.8394 9.5934 9.5934 9.9476 9.9476 k = 0.4054-0.3021-0.1230 ( 5296 PWs) bands (ev): -21.1630 -21.1630 -21.1569 -21.1569 -8.4321 -8.4321 -8.2237 -8.2237 -7.6283 -7.6283 -7.5361 -7.5361 -6.0807 -6.0807 -5.9281 -5.9281 -5.7877 -5.7877 -5.6900 -5.6900 -4.8466 -4.8466 -4.3287 -4.3287 1.1008 1.1008 2.5257 2.5257 2.7667 2.7667 3.0662 3.0662 3.2258 3.2258 3.3320 3.3320 4.6173 4.6173 5.1094 5.1094 5.4255 5.4255 5.7188 5.7188 7.2639 7.2639 8.8219 8.8219 9.6392 9.6392 9.9853 9.9853 k = 0.4189-0.3122-0.1271 ( 5296 PWs) bands (ev): -21.1628 -21.1628 -21.1569 -21.1569 -8.4334 -8.4334 -8.2193 -8.2193 -7.6223 -7.6223 -7.5401 -7.5401 -6.0786 -6.0786 -5.9395 -5.9395 -5.7887 -5.7887 -5.7004 -5.7004 -4.8479 -4.8479 -4.3251 -4.3251 1.0993 1.0993 2.5393 2.5393 2.7947 2.7947 3.0663 3.0663 3.2362 3.2362 3.3151 3.3151 4.6197 4.6197 5.1305 5.1305 5.4323 5.4323 5.7273 5.7273 7.1794 7.1794 8.8065 8.8065 9.6839 9.6839 10.0112 10.0112 k = 0.4324-0.3222-0.1312 ( 5299 PWs) bands (ev): -21.1626 -21.1626 -21.1569 -21.1569 -8.4344 -8.4344 -8.2157 -8.2157 -7.6158 -7.6158 -7.5447 -7.5447 -6.0749 -6.0749 -5.9513 -5.9513 -5.7893 -5.7893 -5.7098 -5.7098 -4.8487 -4.8487 -4.3220 -4.3220 1.0980 1.0980 2.5465 2.5465 2.8272 2.8272 3.0638 3.0638 3.2420 3.2420 3.3021 3.3021 4.6228 4.6228 5.1514 5.1514 5.4377 5.4377 5.7343 5.7343 7.1045 7.1045 8.7933 8.7933 9.7268 9.7268 10.0256 10.0256 k = 0.4459-0.3323-0.1353 ( 5303 PWs) bands (ev): -21.1624 -21.1624 -21.1568 -21.1568 -8.4353 -8.4353 -8.2128 -8.2128 -7.6089 -7.6089 -7.5499 -7.5499 -6.0699 -6.0699 -5.9630 -5.9630 -5.7895 -5.7895 -5.7181 -5.7181 -4.8490 -4.8490 -4.3195 -4.3195 1.0969 1.0969 2.5499 2.5499 2.8609 2.8609 3.0594 3.0594 3.2398 3.2398 3.2963 3.2963 4.6263 4.6263 5.1712 5.1712 5.4415 5.4415 5.7400 5.7400 7.0406 7.0406 8.7824 8.7824 9.7671 9.7671 10.0300 10.0300 k = 0.4595-0.3424-0.1394 ( 5296 PWs) bands (ev): -21.1622 -21.1622 -21.1568 -21.1568 -8.4359 -8.4359 -8.2106 -8.2106 -7.6019 -7.6019 -7.5555 -7.5555 -6.0641 -6.0641 -5.9742 -5.9742 -5.7894 -5.7894 -5.7249 -5.7249 -4.8491 -4.8491 -4.3175 -4.3175 1.0960 1.0960 2.5513 2.5513 2.8932 2.8932 3.0532 3.0532 3.2307 3.2307 3.2969 3.2969 4.6295 4.6295 5.1888 5.1888 5.4440 5.4440 5.7443 5.7443 6.9892 6.9892 8.7738 8.7738 9.8036 9.8036 10.0271 10.0271 k = 0.4730-0.3524-0.1435 ( 5291 PWs) bands (ev): -21.1621 -21.1621 -21.1568 -21.1568 -8.4364 -8.4364 -8.2090 -8.2090 -7.5951 -7.5951 -7.5612 -7.5612 -6.0581 -6.0581 -5.9841 -5.9841 -5.7892 -5.7892 -5.7300 -5.7300 -4.8490 -4.8490 -4.3161 -4.3161 1.0954 1.0954 2.5517 2.5517 2.9216 2.9216 3.0456 3.0456 3.2203 3.2203 3.2996 3.2996 4.6322 4.6322 5.2027 5.2027 5.4454 5.4454 5.7473 5.7473 6.9513 6.9513 8.7676 8.7676 9.8342 9.8342 10.0198 10.0198 k = 0.4865-0.3625-0.1477 ( 5295 PWs) bands (ev): -21.1621 -21.1621 -21.1568 -21.1568 -8.4367 -8.4367 -8.2081 -8.2081 -7.5891 -7.5891 -7.5665 -7.5665 -6.0533 -6.0533 -5.9913 -5.9913 -5.7890 -5.7890 -5.7332 -5.7332 -4.8490 -4.8490 -4.3152 -4.3152 1.0951 1.0951 2.5517 2.5517 2.9427 2.9427 3.0382 3.0382 3.2126 3.2126 3.3019 3.3019 4.6340 4.6340 5.2117 5.2117 5.4460 5.4460 5.7490 5.7490 6.9282 6.9282 8.7639 8.7639 9.8558 9.8558 10.0120 10.0120 k = 0.5000-0.3726-0.1518 ( 5298 PWs) bands (ev): -21.1620 -21.1620 -21.1568 -21.1568 -8.4368 -8.4368 -8.2078 -8.2078 -7.5863 -7.5863 -7.5691 -7.5691 -6.0513 -6.0513 -5.9941 -5.9941 -5.7889 -5.7889 -5.7343 -5.7343 -4.8490 -4.8490 -4.3149 -4.3149 1.0950 1.0950 2.5517 2.5517 2.9509 2.9509 3.0346 3.0346 3.2097 3.2097 3.3028 3.3028 4.6346 4.6346 5.2148 5.2148 5.4461 5.4461 5.7496 5.7496 6.9204 6.9204 8.7626 8.7626 9.8638 9.8638 10.0086 10.0086 k = 0.5000-0.3726 0.1830 ( 5302 PWs) bands (ev): -21.1610 -21.1610 -21.1578 -21.1578 -8.4796 -8.4796 -7.9960 -7.9960 -7.9355 -7.9355 -7.3696 -7.3696 -6.2308 -6.2308 -5.9821 -5.9821 -5.7536 -5.7536 -5.5261 -5.5261 -4.9426 -4.9426 -4.3194 -4.3194 1.0997 1.0997 2.4461 2.4461 2.9894 2.9894 3.0465 3.0465 3.1828 3.1828 3.4412 3.4412 4.6352 4.6352 5.0571 5.0571 5.4840 5.4840 5.8044 5.8044 6.8804 6.8804 9.1511 9.1511 9.7538 9.7538 9.9382 9.9382 k = 0.4868-0.3628 0.1782 ( 5303 PWs) bands (ev): -21.1610 -21.1610 -21.1578 -21.1578 -8.4794 -8.4794 -8.0014 -8.0014 -7.9304 -7.9304 -7.3700 -7.3700 -6.2298 -6.2298 -5.9817 -5.9817 -5.7535 -5.7535 -5.5266 -5.5266 -4.9419 -4.9419 -4.3196 -4.3196 1.0998 1.0998 2.4474 2.4474 2.9785 2.9785 3.0516 3.0516 3.1829 3.1829 3.4426 3.4426 4.6344 4.6344 5.0560 5.0560 5.4832 5.4832 5.8033 5.8033 6.8880 6.8880 9.1515 9.1515 9.7520 9.7520 9.9407 9.9407 k = 0.4737-0.3530 0.1734 ( 5309 PWs) bands (ev): -21.1611 -21.1611 -21.1578 -21.1578 -8.4785 -8.4785 -8.0142 -8.0142 -7.9186 -7.9186 -7.3714 -7.3714 -6.2266 -6.2266 -5.9805 -5.9805 -5.7533 -5.7533 -5.5280 -5.5280 -4.9397 -4.9397 -4.3204 -4.3204 1.1001 1.1001 2.4512 2.4512 2.9522 2.9522 3.0608 3.0608 3.1832 3.1832 3.4464 3.4464 4.6320 4.6320 5.0528 5.0528 5.4809 5.4809 5.7998 5.7998 6.9105 6.9105 9.1523 9.1523 9.7466 9.7466 9.9480 9.9480 k = 0.4605-0.3432 0.1686 ( 5311 PWs) bands (ev): -21.1612 -21.1612 -21.1578 -21.1578 -8.4772 -8.4772 -8.0303 -8.0303 -7.9041 -7.9041 -7.3736 -7.3736 -6.2214 -6.2214 -5.9786 -5.9786 -5.7530 -5.7530 -5.5304 -5.5304 -4.9360 -4.9360 -4.3216 -4.3216 1.1007 1.1007 2.4576 2.4576 2.9167 2.9167 3.0689 3.0689 3.1836 3.1836 3.4517 3.4517 4.6281 4.6281 5.0481 5.0481 5.4770 5.4770 5.7941 5.7941 6.9473 6.9473 9.1535 9.1535 9.7380 9.7380 9.9595 9.9595 k = 0.4474-0.3334 0.1638 ( 5310 PWs) bands (ev): -21.1614 -21.1614 -21.1578 -21.1578 -8.4753 -8.4753 -8.0479 -8.0479 -7.8887 -7.8887 -7.3767 -7.3767 -6.2143 -6.2143 -5.9758 -5.9758 -5.7525 -5.7525 -5.5336 -5.5336 -4.9310 -4.9310 -4.3234 -4.3234 1.1015 1.1015 2.4665 2.4665 2.8743 2.8743 3.0748 3.0748 3.1843 3.1843 3.4574 3.4574 4.6228 4.6228 5.0428 5.0428 5.4717 5.4717 5.7863 5.7863 6.9973 6.9973 9.1547 9.1547 9.7265 9.7265 9.9748 9.9748 k = 0.4342-0.3236 0.1589 ( 5313 PWs) bands (ev): -21.1616 -21.1616 -21.1577 -21.1577 -8.4730 -8.4730 -8.0662 -8.0662 -7.8732 -7.8732 -7.3805 -7.3805 -6.2053 -6.2053 -5.9723 -5.9723 -5.7519 -5.7519 -5.5376 -5.5376 -4.9246 -4.9246 -4.3256 -4.3256 1.1025 1.1025 2.4778 2.4778 2.8263 2.8263 3.0783 3.0783 3.1854 3.1854 3.4622 3.4622 4.6165 4.6165 5.0378 5.0378 5.4651 5.4651 5.7765 5.7765 7.0592 7.0592 9.1553 9.1553 9.7122 9.7122 9.9928 9.9928 k = 0.4211-0.3138 0.1541 ( 5314 PWs) bands (ev): -21.1619 -21.1619 -21.1577 -21.1577 -8.4702 -8.4702 -8.0848 -8.0848 -7.8579 -7.8579 -7.3852 -7.3852 -6.1946 -6.1946 -5.9681 -5.9681 -5.7511 -5.7511 -5.5423 -5.5423 -4.9168 -4.9168 -4.3283 -4.3283 1.1036 1.1036 2.4914 2.4914 2.7737 2.7737 3.0792 3.0792 3.1872 3.1872 3.4652 3.4652 4.6095 4.6095 5.0338 5.0338 5.4573 5.4573 5.7647 5.7647 7.1317 7.1317 9.1548 9.1548 9.6952 9.6952 10.0126 10.0126 k = 0.4079-0.3040 0.1493 ( 5310 PWs) bands (ev): -21.1622 -21.1622 -21.1577 -21.1577 -8.4670 -8.4670 -8.1035 -8.1035 -7.8429 -7.8429 -7.3904 -7.3904 -6.1823 -6.1823 -5.9631 -5.9631 -5.7501 -5.7501 -5.5478 -5.5478 -4.9078 -4.9078 -4.3315 -4.3315 1.1050 1.1050 2.5071 2.5071 2.7172 2.7172 3.0773 3.0773 3.1901 3.1901 3.4659 3.4659 4.6024 4.6024 5.0314 5.0314 5.4485 5.4485 5.7513 5.7513 7.2132 7.2132 9.1526 9.1526 9.6755 9.6755 10.0327 10.0327 k = 0.3947-0.2941 0.1445 ( 5301 PWs) bands (ev): -21.1625 -21.1625 -21.1577 -21.1577 -8.4636 -8.4636 -8.1221 -8.1221 -7.8284 -7.8284 -7.3963 -7.3963 -6.1687 -6.1687 -5.9574 -5.9574 -5.7490 -5.7490 -5.5537 -5.5537 -4.8976 -4.8976 -4.3352 -4.3352 1.1064 1.1064 2.5243 2.5243 2.6581 2.6581 3.0724 3.0724 3.1942 3.1942 3.4640 3.4640 4.5958 4.5958 5.0308 5.0308 5.4390 5.4390 5.7363 5.7363 7.3026 7.3026 9.1481 9.1481 9.6530 9.6530 10.0510 10.0510 k = 0.3816-0.2843 0.1397 ( 5305 PWs) bands (ev): -21.1629 -21.1629 -21.1577 -21.1577 -8.4599 -8.4599 -8.1404 -8.1404 -7.8144 -7.8144 -7.4028 -7.4028 -6.1539 -6.1539 -5.9510 -5.9510 -5.7477 -5.7477 -5.5602 -5.5602 -4.8863 -4.8863 -4.3393 -4.3393 1.1080 1.1080 2.5396 2.5396 2.6002 2.6002 3.0642 3.0642 3.1996 3.1996 3.4597 3.4597 4.5903 4.5903 5.0319 5.0319 5.4290 5.4290 5.7200 5.7200 7.3984 7.3984 9.1407 9.1407 9.6277 9.6277 10.0645 10.0645 k = 0.3684-0.2745 0.1349 ( 5302 PWs) bands (ev): -21.1632 -21.1632 -21.1577 -21.1577 -8.4561 -8.4561 -8.1581 -8.1581 -7.8009 -7.8009 -7.4097 -7.4097 -6.1382 -6.1382 -5.9439 -5.9439 -5.7463 -5.7463 -5.5669 -5.5669 -4.8740 -4.8740 -4.3439 -4.3439 1.1097 1.1097 2.5176 2.5176 2.5792 2.5792 3.0527 3.0527 3.2060 3.2060 3.4535 3.4535 4.5865 4.5865 5.0345 5.0345 5.4187 5.4187 5.7026 5.7026 7.4997 7.4997 9.1299 9.1299 9.6000 9.6000 10.0690 10.0690 k = 0.3553-0.2647 0.1300 ( 5300 PWs) bands (ev): -21.1636 -21.1636 -21.1578 -21.1578 -8.4524 -8.4524 -8.1751 -8.1751 -7.7882 -7.7882 -7.4169 -7.4169 -6.1218 -6.1218 -5.9363 -5.9363 -5.7446 -5.7446 -5.5738 -5.5738 -4.8607 -4.8607 -4.3488 -4.3488 1.1115 1.1115 2.4557 2.4557 2.5980 2.5980 3.0378 3.0378 3.2131 3.2131 3.4463 3.4463 4.5847 4.5847 5.0381 5.0381 5.4084 5.4084 5.6844 5.6844 7.6052 7.6052 9.1154 9.1154 9.5703 9.5703 10.0581 10.0581 k = 0.3421-0.2549 0.1252 ( 5300 PWs) bands (ev): -21.1640 -21.1640 -21.1578 -21.1578 -8.4489 -8.4489 -8.1911 -8.1911 -7.7761 -7.7761 -7.4244 -7.4244 -6.1048 -6.1048 -5.9281 -5.9281 -5.7428 -5.7428 -5.5808 -5.5808 -4.8465 -4.8465 -4.3542 -4.3542 1.1134 1.1134 2.3884 2.3884 2.6220 2.6220 3.0199 3.0199 3.2205 3.2205 3.4391 3.4391 4.5851 4.5851 5.0423 5.0423 5.3987 5.3987 5.6655 5.6655 7.7138 7.7138 9.0969 9.0969 9.5392 9.5392 10.0253 10.0253 k = 0.3289-0.2451 0.1204 ( 5301 PWs) bands (ev): -21.1645 -21.1645 -21.1579 -21.1579 -8.4460 -8.4460 -8.2058 -8.2058 -7.7649 -7.7649 -7.4321 -7.4321 -6.0876 -6.0876 -5.9194 -5.9194 -5.7409 -5.7409 -5.5876 -5.5876 -4.8315 -4.8315 -4.3600 -4.3600 1.1152 1.1152 2.3195 2.3195 2.6474 2.6474 2.9992 2.9992 3.2275 3.2275 3.4332 3.4332 4.5876 4.5876 5.0465 5.0465 5.3897 5.3897 5.6463 5.6463 7.8247 7.8247 9.0744 9.0744 9.5079 9.5079 9.9752 9.9752 k = 0.3158-0.2353 0.1156 ( 5298 PWs) bands (ev): -21.1649 -21.1649 -21.1579 -21.1579 -8.4440 -8.4440 -8.2187 -8.2187 -7.7545 -7.7545 -7.4399 -7.4399 -6.0702 -6.0702 -5.9104 -5.9104 -5.7389 -5.7389 -5.5939 -5.5939 -4.8158 -4.8158 -4.3661 -4.3661 1.1171 1.1171 2.2497 2.2497 2.6726 2.6726 2.9769 2.9769 3.2336 3.2336 3.4297 3.4297 4.5922 4.5922 5.0501 5.0501 5.3818 5.3818 5.6271 5.6271 7.9366 7.9366 9.0480 9.0480 9.4772 9.4772 9.9168 9.9168 k = 0.3026-0.2255 0.1108 ( 5296 PWs) bands (ev): -21.1654 -21.1654 -21.1580 -21.1580 -8.4431 -8.4431 -8.2296 -8.2296 -7.7450 -7.7450 -7.4476 -7.4476 -6.0530 -6.0530 -5.9012 -5.9012 -5.7370 -5.7370 -5.5996 -5.5996 -4.7994 -4.7994 -4.3725 -4.3725 1.1190 1.1190 2.1796 2.1796 2.6958 2.6958 2.9548 2.9548 3.2382 3.2382 3.4296 3.4296 4.5984 4.5984 5.0527 5.0527 5.3755 5.3755 5.6082 5.6082 8.0485 8.0485 9.0180 9.0180 9.4480 9.4480 9.8546 9.8546 k = 0.2895-0.2157 0.1060 ( 5291 PWs) bands (ev): -21.1658 -21.1658 -21.1581 -21.1581 -8.4437 -8.4437 -8.2381 -8.2381 -7.7366 -7.7366 -7.4551 -7.4551 -6.0361 -6.0361 -5.8919 -5.8919 -5.7352 -5.7352 -5.6043 -5.6043 -4.7825 -4.7825 -4.3792 -4.3792 1.1209 1.1209 2.1096 2.1096 2.7137 2.7137 2.9363 2.9363 3.2411 3.2411 3.4333 3.4333 4.6060 4.6060 5.0539 5.0539 5.3709 5.3709 5.5900 5.5900 8.1592 8.1592 8.9849 8.9849 9.4210 9.4210 9.7914 9.7914 k = 0.2763-0.2059 0.1011 ( 5289 PWs) bands (ev): -21.1663 -21.1663 -21.1581 -21.1581 -8.4461 -8.4461 -8.2437 -8.2437 -7.7294 -7.7294 -7.4624 -7.4624 -6.0196 -6.0196 -5.8827 -5.8827 -5.7339 -5.7339 -5.6076 -5.6076 -4.7652 -4.7652 -4.3861 -4.3861 1.1227 1.1227 2.0399 2.0399 2.7214 2.7214 2.9266 2.9266 3.2423 3.2423 3.4411 3.4411 4.6146 4.6146 5.0533 5.0533 5.3680 5.3680 5.5728 5.5728 8.2671 8.2671 8.9493 8.9493 9.3964 9.3964 9.7297 9.7297 k = 0.2632-0.1961 0.0963 ( 5289 PWs) bands (ev): -21.1667 -21.1667 -21.1582 -21.1582 -8.4504 -8.4504 -8.2465 -8.2465 -7.7234 -7.7234 -7.4691 -7.4691 -6.0036 -6.0036 -5.8739 -5.8739 -5.7333 -5.7333 -5.6092 -5.6092 -4.7475 -4.7475 -4.3932 -4.3932 1.1245 1.1245 1.9710 1.9710 2.7148 2.7148 2.9302 2.9302 3.2421 3.2421 3.4526 3.4526 4.6236 4.6236 5.0511 5.0511 5.3668 5.3668 5.5571 5.5571 8.3706 8.3706 8.9120 8.9120 9.3736 9.3736 9.6719 9.6719 k = 0.2500-0.1863 0.0915 ( 5286 PWs) bands (ev): -21.1672 -21.1672 -21.1583 -21.1583 -8.4565 -8.4565 -8.2465 -8.2465 -7.7188 -7.7188 -7.4753 -7.4753 -5.9882 -5.9882 -5.8655 -5.8655 -5.7336 -5.7336 -5.6086 -5.6086 -4.7296 -4.7296 -4.4004 -4.4004 1.1263 1.1263 1.9031 1.9031 2.6943 2.6943 2.9468 2.9468 3.2411 3.2411 3.4672 3.4672 4.6326 4.6326 5.0472 5.0472 5.3668 5.3668 5.5435 5.5435 8.4674 8.4674 8.8743 8.8743 9.3517 9.3517 9.6213 9.6213 k = 0.2368-0.1765 0.0867 ( 5286 PWs) bands (ev): -21.1676 -21.1676 -21.1584 -21.1584 -8.4643 -8.4643 -8.2437 -8.2437 -7.7158 -7.7158 -7.4807 -7.4807 -5.9734 -5.9734 -5.8578 -5.8578 -5.7350 -5.7350 -5.6057 -5.6057 -4.7116 -4.7116 -4.4077 -4.4077 1.1280 1.1280 1.8365 1.8365 2.6643 2.6643 2.9725 2.9725 3.2397 3.2397 3.4844 3.4844 4.6411 4.6411 5.0420 5.0420 5.3672 5.3672 5.5327 5.5327 8.5542 8.5542 8.8380 8.8380 9.3290 9.3290 9.5816 9.5816 k = 0.2237-0.1667 0.0819 ( 5288 PWs) bands (ev): -21.1681 -21.1681 -21.1585 -21.1585 -8.4732 -8.4732 -8.2387 -8.2387 -7.7143 -7.7143 -7.4853 -7.4853 -5.9593 -5.9593 -5.8508 -5.8508 -5.7375 -5.7375 -5.6005 -5.6005 -4.6936 -4.6936 -4.4149 -4.4149 1.1296 1.1296 1.7716 1.7716 2.6289 2.6289 3.0033 3.0033 3.2384 3.2384 3.5037 3.5037 4.6487 4.6487 5.0358 5.0358 5.3675 5.3675 5.5252 5.5252 8.6248 8.6248 8.8076 8.8076 9.3042 9.3042 9.5561 9.5561 k = 0.2105-0.1569 0.0771 ( 5280 PWs) bands (ev): -21.1685 -21.1685 -21.1586 -21.1586 -8.4830 -8.4830 -8.2318 -8.2318 -7.7145 -7.7145 -7.4890 -7.4890 -5.9459 -5.9459 -5.8445 -5.8445 -5.7410 -5.7410 -5.5932 -5.5932 -4.6758 -4.6758 -4.4221 -4.4221 1.1312 1.1312 1.7086 1.7086 2.5909 2.5909 3.0363 3.0363 3.2378 3.2378 3.5245 3.5245 4.6550 4.6550 5.0289 5.0289 5.3668 5.3668 5.5216 5.5216 8.6651 8.6651 8.7949 8.7949 9.2782 9.2782 9.5461 9.5461 k = 0.1974-0.1471 0.0722 ( 5285 PWs) bands (ev): -21.1690 -21.1690 -21.1587 -21.1587 -8.4934 -8.4934 -8.2232 -8.2232 -7.7164 -7.7164 -7.4916 -7.4916 -5.9332 -5.9332 -5.8391 -5.8391 -5.7453 -5.7453 -5.5841 -5.5841 -4.6583 -4.6583 -4.4291 -4.4291 1.1327 1.1327 1.6478 1.6478 2.5517 2.5517 3.0698 3.0698 3.2386 3.2386 3.5465 3.5465 4.6596 4.6596 5.0218 5.0218 5.3646 5.3646 5.5222 5.5222 8.6628 8.6628 8.8100 8.8100 9.2547 9.2547 9.5500 9.5500 k = 0.1842-0.1373 0.0674 ( 5287 PWs) bands (ev): -21.1694 -21.1694 -21.1588 -21.1588 -8.5040 -8.5040 -8.2134 -8.2134 -7.7199 -7.7199 -7.4934 -7.4934 -5.9211 -5.9211 -5.8345 -5.8345 -5.7500 -5.7500 -5.5737 -5.5737 -4.6414 -4.6414 -4.4357 -4.4357 1.1342 1.1342 1.5895 1.5895 2.5125 2.5125 3.1017 3.1017 3.2418 3.2418 3.5693 3.5693 4.6624 4.6624 5.0147 5.0147 5.3610 5.3610 5.5267 5.5267 8.6373 8.6373 8.8317 8.8317 9.2381 9.2381 9.5648 9.5648 k = 0.1711-0.1275 0.0626 ( 5284 PWs) bands (ev): -21.1698 -21.1698 -21.1589 -21.1589 -8.5145 -8.5145 -8.2027 -8.2027 -7.7248 -7.7248 -7.4942 -7.4942 -5.9098 -5.9098 -5.8307 -5.8307 -5.7551 -5.7551 -5.5624 -5.5624 -4.6252 -4.6252 -4.4419 -4.4419 1.1355 1.1355 1.5340 1.5340 2.4740 2.4740 3.1299 3.1299 3.2491 3.2491 3.5925 3.5925 4.6633 4.6633 5.0077 5.0077 5.3562 5.3562 5.5347 5.5347 8.6055 8.6055 8.8434 8.8434 9.2314 9.2314 9.5862 9.5862 k = 0.1579-0.1177 0.0578 ( 5289 PWs) bands (ev): -21.1701 -21.1701 -21.1590 -21.1590 -8.5248 -8.5248 -8.1912 -8.1912 -7.7312 -7.7312 -7.4943 -7.4943 -5.8991 -5.8991 -5.8276 -5.8276 -5.7601 -5.7601 -5.5505 -5.5505 -4.6100 -4.6100 -4.4475 -4.4475 1.1367 1.1367 1.4814 1.4814 2.4367 2.4367 3.1516 3.1516 3.2626 3.2626 3.6160 3.6160 4.6623 4.6623 5.0010 5.0010 5.3508 5.3508 5.5452 5.5452 8.5727 8.5727 8.8427 8.8427 9.2349 9.2349 9.6100 9.6100 k = 0.1447-0.1079 0.0530 ( 5289 PWs) bands (ev): -21.1705 -21.1705 -21.1591 -21.1591 -8.5346 -8.5346 -8.1791 -8.1791 -7.7386 -7.7386 -7.4938 -7.4938 -5.8892 -5.8892 -5.8252 -5.8252 -5.7650 -5.7650 -5.5385 -5.5385 -4.5961 -4.5961 -4.4522 -4.4522 1.1378 1.1378 1.4322 1.4322 2.4012 2.4012 3.1659 3.1659 3.2828 3.2828 3.6394 3.6394 4.6596 4.6596 4.9945 4.9945 5.3452 5.3452 5.5575 5.5575 8.5408 8.5408 8.8330 8.8330 9.2462 9.2462 9.6310 9.6310 k = 0.1316-0.0980 0.0482 ( 5292 PWs) bands (ev): -21.1708 -21.1708 -21.1592 -21.1592 -8.5440 -8.5440 -8.1668 -8.1668 -7.7470 -7.7470 -7.4928 -7.4928 -5.8800 -5.8800 -5.8235 -5.8235 -5.7696 -5.7696 -5.5267 -5.5267 -4.5837 -4.5837 -4.4559 -4.4559 1.1387 1.1387 1.3865 1.3865 2.3678 2.3678 3.1740 3.1740 3.3080 3.3080 3.6625 3.6625 4.6555 4.6555 4.9882 4.9882 5.3396 5.3396 5.5710 5.5710 8.5105 8.5105 8.8189 8.8189 9.2620 9.2620 9.6377 9.6377 k = 0.1184-0.0882 0.0433 ( 5303 PWs) bands (ev): -21.1711 -21.1711 -21.1593 -21.1593 -8.5527 -8.5527 -8.1544 -8.1544 -7.7560 -7.7560 -7.4915 -7.4915 -5.8715 -5.8715 -5.8224 -5.8224 -5.7737 -5.7737 -5.5152 -5.5152 -4.5731 -4.5731 -4.4584 -4.4584 1.1393 1.1393 1.3447 1.3447 2.3367 2.3367 3.1783 3.1783 3.3354 3.3354 3.6848 3.6848 4.6503 4.6503 4.9820 4.9820 5.3344 5.3344 5.5849 5.5849 8.4823 8.4823 8.8042 8.8042 9.2791 9.2791 9.6024 9.6024 k = 0.1053-0.0784 0.0385 ( 5304 PWs) bands (ev): -21.1714 -21.1714 -21.1594 -21.1594 -8.5606 -8.5606 -8.1420 -8.1420 -7.7654 -7.7654 -7.4899 -7.4899 -5.8638 -5.8638 -5.8219 -5.8219 -5.7772 -5.7772 -5.5044 -5.5044 -4.5646 -4.5646 -4.4594 -4.4594 1.1396 1.1396 1.3070 1.3070 2.3082 2.3082 3.1805 3.1805 3.3629 3.3629 3.7063 3.7063 4.6443 4.6443 4.9761 4.9761 5.3297 5.3297 5.5989 5.5989 8.4565 8.4565 8.7914 8.7914 9.2929 9.2929 9.5484 9.5484 k = 0.0921-0.0686 0.0337 ( 5301 PWs) bands (ev): -21.1717 -21.1717 -21.1594 -21.1594 -8.5678 -8.5678 -8.1301 -8.1301 -7.7749 -7.7749 -7.4883 -7.4883 -5.8569 -5.8569 -5.8219 -5.8219 -5.7802 -5.7802 -5.4944 -5.4944 -4.5583 -4.5583 -4.4589 -4.4589 1.1394 1.1394 1.2738 1.2738 2.2826 2.2826 3.1815 3.1815 3.3890 3.3890 3.7264 3.7264 4.6380 4.6380 4.9704 4.9704 5.3256 5.3256 5.6123 5.6123 8.4333 8.4333 8.7823 8.7823 9.2960 9.2960 9.5053 9.5053 k = 0.0789-0.0588 0.0289 ( 5302 PWs) bands (ev): -21.1719 -21.1719 -21.1595 -21.1595 -8.5741 -8.5741 -8.1187 -8.1187 -7.7842 -7.7842 -7.4868 -7.4868 -5.8508 -5.8508 -5.8223 -5.8223 -5.7826 -5.7826 -5.4855 -5.4855 -4.5540 -4.5540 -4.4572 -4.4572 1.1385 1.1385 1.2454 1.2454 2.2600 2.2600 3.1820 3.1820 3.4130 3.4130 3.7449 3.7449 4.6316 4.6316 4.9650 4.9650 5.3220 5.3220 5.6247 5.6247 8.4129 8.4129 8.7777 8.7777 9.2794 9.2794 9.4860 9.4860 k = 0.0658-0.0490 0.0241 ( 5307 PWs) bands (ev): -21.1721 -21.1721 -21.1595 -21.1595 -8.5795 -8.5795 -8.1082 -8.1082 -7.7930 -7.7930 -7.4853 -7.4853 -5.8454 -5.8454 -5.8231 -5.8231 -5.7844 -5.7844 -5.4777 -5.4777 -4.5514 -4.5514 -4.4547 -4.4547 1.1366 1.1366 1.2222 1.2222 2.2407 2.2407 3.1821 3.1821 3.4341 3.4341 3.7615 3.7615 4.6256 4.6256 4.9600 4.9600 5.3191 5.3191 5.6359 5.6359 8.3954 8.3954 8.7778 8.7778 9.2439 9.2439 9.4909 9.4909 k = 0.0526-0.0392 0.0193 ( 5309 PWs) bands (ev): -21.1722 -21.1722 -21.1596 -21.1596 -8.5840 -8.5840 -8.0989 -8.0989 -7.8010 -7.8010 -7.4840 -7.4840 -5.8409 -5.8409 -5.8240 -5.8240 -5.7857 -5.7857 -5.4711 -5.4711 -4.5499 -4.5499 -4.4518 -4.4518 1.1336 1.1336 1.2046 1.2046 2.2246 2.2246 3.1821 3.1821 3.4519 3.4519 3.7756 3.7756 4.6202 4.6202 4.9557 4.9557 5.3167 5.3167 5.6455 5.6455 8.3810 8.3810 8.7825 8.7825 9.2003 9.2003 9.5103 9.5103 k = 0.0395-0.0294 0.0144 ( 5315 PWs) bands (ev): -21.1724 -21.1724 -21.1596 -21.1596 -8.5875 -8.5875 -8.0911 -8.0911 -7.8077 -7.8077 -7.4829 -7.4829 -5.8372 -5.8372 -5.8251 -5.8251 -5.7866 -5.7866 -5.4659 -5.4659 -4.5493 -4.5493 -4.4491 -4.4491 1.1296 1.1296 1.1924 1.1924 2.2120 2.2120 3.1820 3.1820 3.4661 3.4661 3.7871 3.7871 4.6157 4.6157 4.9521 4.9521 5.3148 5.3148 5.6531 5.6531 8.3696 8.3696 8.7906 8.7906 9.1575 9.1575 9.5361 9.5361 k = 0.0263-0.0196 0.0096 ( 5319 PWs) bands (ev): -21.1725 -21.1725 -21.1596 -21.1596 -8.5900 -8.5900 -8.0853 -8.0853 -7.8129 -7.8129 -7.4822 -7.4822 -5.8343 -5.8343 -5.8262 -5.8262 -5.7872 -5.7872 -5.4622 -5.4622 -4.5491 -4.5491 -4.4468 -4.4468 1.1255 1.1255 1.1848 1.1848 2.2030 2.2030 3.1819 3.1819 3.4764 3.4764 3.7956 3.7956 4.6123 4.6123 4.9494 4.9494 5.3135 5.3135 5.6588 5.6588 8.3615 8.3615 8.8002 8.8002 9.1215 9.1215 9.5634 9.5634 k = 0.0132-0.0098 0.0048 ( 5323 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5916 -8.5916 -8.0816 -8.0816 -7.8161 -7.8161 -7.4817 -7.4817 -5.8322 -5.8322 -5.8273 -5.8273 -5.7876 -5.7876 -5.4599 -5.4599 -4.5491 -4.5491 -4.4454 -4.4454 1.1224 1.1224 1.1809 1.1809 2.1975 2.1975 3.1818 3.1818 3.4826 3.4826 3.8007 3.8007 4.6102 4.6102 4.9478 4.9478 5.3127 5.3127 5.6622 5.6622 8.3566 8.3566 8.8083 8.8083 9.0970 9.0970 9.5876 9.5876 k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -21.1725 -21.1725 -21.1597 -21.1597 -8.5921 -8.5921 -8.0804 -8.0804 -7.8172 -7.8172 -7.4815 -7.4815 -5.8313 -5.8313 -5.8278 -5.8278 -5.7877 -5.7877 -5.4591 -5.4591 -4.5491 -4.5491 -4.4449 -4.4449 1.1213 1.1213 1.1797 1.1797 2.1957 2.1957 3.1818 3.1818 3.4847 3.4847 3.8025 3.8025 4.6094 4.6094 4.9472 4.9472 5.3125 5.3125 5.6634 5.6634 8.3550 8.3550 8.8115 8.8115 9.0882 9.0882 9.6001 9.6001 Writing output data file BaSe2.save init_run : 0.23s CPU 0.33s WALL ( 1 calls) electrons : 160.53s CPU 162.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 160.53s CPU 162.97s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 305 calls) cegterg : 149.88s CPU 151.84s WALL ( 367 calls) Called by sum_band: Called by *egterg: h_psi : 83.90s CPU 84.98s WALL ( 6595 calls) s_psi : 3.74s CPU 4.01s WALL ( 6595 calls) g_psi : 0.25s CPU 0.27s WALL ( 5923 calls) cdiaghg : 52.35s CPU 53.16s WALL ( 6228 calls) cegterg:over : 6.73s CPU 6.72s WALL ( 5923 calls) cegterg:upda : 6.12s CPU 6.09s WALL ( 5923 calls) cegterg:last : 2.86s CPU 2.84s WALL ( 987 calls) cdiaghg:chol : 2.81s CPU 3.04s WALL ( 6228 calls) cdiaghg:inve : 2.16s CPU 2.08s WALL ( 6228 calls) cdiaghg:para : 3.43s CPU 3.36s WALL ( 12456 calls) Called by h_psi: h_psi:vloc : 74.30s CPU 75.62s WALL ( 6595 calls) h_psi:vnl : 9.33s CPU 9.12s WALL ( 6595 calls) add_vuspsi : 4.61s CPU 4.56s WALL ( 6595 calls) General routines calbec : 4.72s CPU 4.54s WALL ( 6595 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 69.76s CPU 71.05s WALL ( 705864 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.22s WALL ( 610 calls) Parallel routines fft_scatter : 21.99s CPU 22.36s WALL ( 705887 calls) PWSCF : 2m57.54s CPU 3m11.09s WALL This run was terminated on: 14: 6:26 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=