Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:36: 6 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2O3.save/ 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 54 31 9 1549 675 107 Max 55 32 10 1554 693 110 Sum 1973 1147 339 55871 24689 3871 bravais-lattice index = 14 lattice parameter (alat) = 9.6569 a.u. unit-cell volume = 567.3816 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.656919 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.569151 celldm(5)= 0.569151 celldm(6)= 0.569151 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.569151 0.822233 0.000000 ) a(3) = ( 0.569151 0.298234 0.766240 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.692202 -0.473367 ) b(2) = ( 0.000000 1.216200 -0.473367 ) b(3) = ( 0.000000 0.000000 1.305075 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 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= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0121951 -0.0084415 -0.0057728), wk = 0.0034130 k( 3) = ( 0.0243902 -0.0168830 -0.0115455), wk = 0.0034130 k( 4) = ( 0.0365854 -0.0253245 -0.0173183), wk = 0.0034130 k( 5) = ( 0.0487805 -0.0337659 -0.0230911), wk = 0.0034130 k( 6) = ( 0.0609756 -0.0422074 -0.0288639), wk = 0.0034130 k( 7) = ( 0.0731707 -0.0506489 -0.0346366), wk = 0.0034130 k( 8) = ( 0.0853658 -0.0590904 -0.0404094), wk = 0.0034130 k( 9) = ( 0.0975610 -0.0675319 -0.0461822), wk = 0.0034130 k( 10) = ( 0.1097561 -0.0759734 -0.0519549), wk = 0.0034130 k( 11) = ( 0.1219512 -0.0844149 -0.0577277), wk = 0.0034130 k( 12) = ( 0.1341463 -0.0928564 -0.0635005), wk = 0.0034130 k( 13) = ( 0.1463415 -0.1012978 -0.0692733), wk = 0.0034130 k( 14) = ( 0.1585366 -0.1097393 -0.0750460), wk = 0.0034130 k( 15) = ( 0.1707317 -0.1181808 -0.0808188), wk = 0.0034130 k( 16) = ( 0.1829268 -0.1266223 -0.0865916), wk = 0.0034130 k( 17) = ( 0.1951219 -0.1350638 -0.0923643), wk = 0.0034130 k( 18) = ( 0.2073171 -0.1435053 -0.0981371), wk = 0.0034130 k( 19) = ( 0.2195122 -0.1519468 -0.1039099), wk = 0.0034130 k( 20) = ( 0.2317073 -0.1603883 -0.1096827), wk = 0.0034130 k( 21) = ( 0.2439024 -0.1688297 -0.1154554), wk = 0.0034130 k( 22) = ( 0.2560976 -0.1772712 -0.1212282), wk = 0.0034130 k( 23) = ( 0.2682927 -0.1857127 -0.1270010), wk = 0.0034130 k( 24) = ( 0.2804878 -0.1941542 -0.1327737), wk = 0.0034130 k( 25) = ( 0.2926829 -0.2025957 -0.1385465), wk = 0.0034130 k( 26) = ( 0.3048781 -0.2110372 -0.1443193), wk = 0.0034130 k( 27) = ( 0.3170732 -0.2194787 -0.1500921), wk = 0.0034130 k( 28) = ( 0.3292683 -0.2279201 -0.1558648), wk = 0.0034130 k( 29) = ( 0.3414634 -0.2363616 -0.1616376), wk = 0.0034130 k( 30) = ( 0.3536585 -0.2448031 -0.1674104), wk = 0.0034130 k( 31) = ( 0.3658537 -0.2532446 -0.1731832), wk = 0.0034130 k( 32) = ( 0.3780488 -0.2616861 -0.1789559), wk = 0.0034130 k( 33) = ( 0.3902439 -0.2701276 -0.1847287), wk = 0.0034130 k( 34) = ( 0.4024390 -0.2785691 -0.1905015), wk = 0.0034130 k( 35) = ( 0.4146341 -0.2870106 -0.1962742), wk = 0.0034130 k( 36) = ( 0.4268293 -0.2954520 -0.2020470), wk = 0.0034130 k( 37) = ( 0.4390244 -0.3038935 -0.2078198), wk = 0.0034130 k( 38) = ( 0.4512195 -0.3123350 -0.2135926), wk = 0.0034130 k( 39) = ( 0.4634146 -0.3207765 -0.2193653), wk = 0.0034130 k( 40) = ( 0.4756098 -0.3292180 -0.2251381), wk = 0.0034130 k( 41) = ( 0.4878049 -0.3376595 -0.2309109), wk = 0.0034130 k( 42) = ( 0.5000000 -0.3461010 -0.2366836), wk = 0.0034130 k( 43) = ( 0.5000000 -0.3461010 -0.2366836), wk = 0.0034130 k( 44) = ( 0.5000000 -0.3369273 -0.2500983), wk = 0.0034130 k( 45) = ( 0.5000000 -0.3277536 -0.2635129), wk = 0.0034130 k( 46) = ( 0.5000000 -0.3185799 -0.2769275), wk = 0.0034130 k( 47) = ( 0.5000000 -0.3094062 -0.2903422), wk = 0.0034130 k( 48) = ( 0.5000000 -0.3002325 -0.3037568), wk = 0.0034130 k( 49) = ( 0.5000000 -0.2910588 -0.3171715), wk = 0.0034130 k( 50) = ( 0.5000000 -0.2818851 -0.3305861), wk = 0.0034130 k( 51) = ( 0.5000000 -0.2727114 -0.3440007), wk = 0.0034130 k( 52) = ( 0.5000000 -0.2635377 -0.3574154), wk = 0.0034130 k( 53) = ( 0.5000000 -0.2543640 -0.3708300), wk = 0.0034130 k( 54) = ( 0.5000000 -0.2451903 -0.3842446), wk = 0.0034130 k( 55) = ( 0.5000000 -0.2360166 -0.3976593), wk = 0.0034130 k( 56) = ( 0.5000000 -0.2268429 -0.4110739), wk = 0.0034130 k( 57) = ( 0.5000000 -0.2176692 -0.4244886), wk = 0.0034130 k( 58) = ( 0.5000000 -0.2084955 -0.4379032), wk = 0.0034130 k( 59) = ( 0.5000000 -0.1993218 -0.4513178), wk = 0.0034130 k( 60) = ( 0.5000000 -0.1901481 -0.4647325), wk = 0.0034130 k( 61) = ( 0.5000000 -0.1809744 -0.4781471), wk = 0.0034130 k( 62) = ( 0.5000000 -0.1718007 -0.4915617), wk = 0.0034130 k( 63) = ( 0.5000000 -0.1626270 -0.5049764), wk = 0.0034130 k( 64) = ( 0.5000000 -0.1534533 -0.5183910), wk = 0.0034130 k( 65) = ( 0.5000000 -0.1442796 -0.5318056), wk = 0.0034130 k( 66) = ( 0.5000000 -0.1351059 -0.5452203), wk = 0.0034130 k( 67) = ( 0.5000000 -0.1259323 -0.5586349), wk = 0.0034130 k( 68) = ( 0.5000000 -0.1167586 -0.5720496), wk = 0.0034130 k( 69) = ( 0.5000000 -0.1075849 -0.5854642), wk = 0.0034130 k( 70) = ( 0.5000000 -0.0984112 -0.5988788), wk = 0.0034130 k( 71) = ( 0.5000000 -0.0892375 -0.6122935), wk = 0.0034130 k( 72) = ( 0.5000000 -0.0800638 -0.6257081), wk = 0.0034130 k( 73) = ( 0.5000000 -0.0708901 -0.6391227), wk = 0.0034130 k( 74) = ( 0.5000000 -0.0617164 -0.6525374), wk = 0.0034130 k( 75) = ( 0.7661697 0.0777561 -0.2941972), wk = 0.0034130 k( 76) = ( 0.7587760 0.0828740 -0.2810481), wk = 0.0034130 k( 77) = ( 0.7513824 0.0879919 -0.2678990), wk = 0.0034130 k( 78) = ( 0.7439888 0.0931097 -0.2547499), wk = 0.0034130 k( 79) = ( 0.7365952 0.0982276 -0.2416008), wk = 0.0034130 k( 80) = ( 0.7292016 0.1033454 -0.2284517), wk = 0.0034130 k( 81) = ( 0.7218080 0.1084633 -0.2153027), wk = 0.0034130 k( 82) = ( 0.7144144 0.1135812 -0.2021536), wk = 0.0034130 k( 83) = ( 0.7070208 0.1186990 -0.1890045), wk = 0.0034130 k( 84) = ( 0.6996272 0.1238169 -0.1758554), wk = 0.0034130 k( 85) = ( 0.6922336 0.1289348 -0.1627063), wk = 0.0034130 k( 86) = ( 0.6848400 0.1340526 -0.1495572), wk = 0.0034130 k( 87) = ( 0.6774464 0.1391705 -0.1364081), wk = 0.0034130 k( 88) = ( 0.6700528 0.1442884 -0.1232590), wk = 0.0034130 k( 89) = ( 0.6626592 0.1494062 -0.1101099), wk = 0.0034130 k( 90) = ( 0.6552656 0.1545241 -0.0969608), wk = 0.0034130 k( 91) = ( 0.6478720 0.1596420 -0.0838117), wk = 0.0034130 k( 92) = ( 0.6404784 0.1647598 -0.0706626), wk = 0.0034130 k( 93) = ( 0.6330848 0.1698777 -0.0575135), wk = 0.0034130 k( 94) = ( 0.6256912 0.1749956 -0.0443645), wk = 0.0034130 k( 95) = ( 0.6182976 0.1801134 -0.0312154), wk = 0.0034130 k( 96) = ( 0.6109040 0.1852313 -0.0180663), wk = 0.0034130 k( 97) = ( 0.6035104 0.1903491 -0.0049172), wk = 0.0034130 k( 98) = ( 0.5961168 0.1954670 0.0082319), wk = 0.0034130 k( 99) = ( 0.5887232 0.2005849 0.0213810), wk = 0.0034130 k( 100) = ( 0.5813296 0.2057027 0.0345301), wk = 0.0034130 k( 101) = ( 0.5739360 0.2108206 0.0476792), wk = 0.0034130 k( 102) = ( 0.5665424 0.2159385 0.0608283), wk = 0.0034130 k( 103) = ( 0.5591488 0.2210563 0.0739774), wk = 0.0034130 k( 104) = ( 0.5517552 0.2261742 0.0871264), wk = 0.0034130 k( 105) = ( 0.5443616 0.2312921 0.1002755), wk = 0.0034130 k( 106) = ( 0.5369680 0.2364099 0.1134246), wk = 0.0034130 k( 107) = ( 0.5295744 0.2415278 0.1265737), wk = 0.0034130 k( 108) = ( 0.5221808 0.2466457 0.1397228), wk = 0.0034130 k( 109) = ( 0.5147872 0.2517635 0.1528719), wk = 0.0034130 k( 110) = ( 0.5073936 0.2568814 0.1660210), wk = 0.0034130 k( 111) = ( 0.5000000 0.2619993 0.1791701), wk = 0.0034130 k( 112) = ( 0.5000000 0.2619993 0.1791701), wk = 0.0034130 k( 113) = ( 0.4864865 0.2549182 0.1743277), wk = 0.0034130 k( 114) = ( 0.4729730 0.2478371 0.1694852), wk = 0.0034130 k( 115) = ( 0.4594595 0.2407561 0.1646428), wk = 0.0034130 k( 116) = ( 0.4459459 0.2336750 0.1598003), wk = 0.0034130 k( 117) = ( 0.4324324 0.2265940 0.1549579), wk = 0.0034130 k( 118) = ( 0.4189189 0.2195129 0.1501155), wk = 0.0034130 k( 119) = ( 0.4054054 0.2124318 0.1452730), wk = 0.0034130 k( 120) = ( 0.3918919 0.2053508 0.1404306), wk = 0.0034130 k( 121) = ( 0.3783784 0.1982697 0.1355882), wk = 0.0034130 k( 122) = ( 0.3648649 0.1911886 0.1307457), wk = 0.0034130 k( 123) = ( 0.3513514 0.1841076 0.1259033), wk = 0.0034130 k( 124) = ( 0.3378378 0.1770265 0.1210609), wk = 0.0034130 k( 125) = ( 0.3243243 0.1699455 0.1162184), wk = 0.0034130 k( 126) = ( 0.3108108 0.1628644 0.1113760), wk = 0.0034130 k( 127) = ( 0.2972973 0.1557833 0.1065336), wk = 0.0034130 k( 128) = ( 0.2837838 0.1487023 0.1016911), wk = 0.0034130 k( 129) = ( 0.2702703 0.1416212 0.0968487), wk = 0.0034130 k( 130) = ( 0.2567568 0.1345402 0.0920063), wk = 0.0034130 k( 131) = ( 0.2432432 0.1274591 0.0871638), wk = 0.0034130 k( 132) = ( 0.2297297 0.1203780 0.0823214), wk = 0.0034130 k( 133) = ( 0.2162162 0.1132970 0.0774790), wk = 0.0034130 k( 134) = ( 0.2027027 0.1062159 0.0726365), wk = 0.0034130 k( 135) = ( 0.1891892 0.0991349 0.0677941), wk = 0.0034130 k( 136) = ( 0.1756757 0.0920538 0.0629517), wk = 0.0034130 k( 137) = ( 0.1621622 0.0849727 0.0581092), wk = 0.0034130 k( 138) = ( 0.1486486 0.0778917 0.0532668), wk = 0.0034130 k( 139) = ( 0.1351351 0.0708106 0.0484243), wk = 0.0034130 k( 140) = ( 0.1216216 0.0637295 0.0435819), wk = 0.0034130 k( 141) = ( 0.1081081 0.0566485 0.0387395), wk = 0.0034130 k( 142) = ( 0.0945946 0.0495674 0.0338970), wk = 0.0034130 k( 143) = ( 0.0810811 0.0424864 0.0290546), wk = 0.0034130 k( 144) = ( 0.0675676 0.0354053 0.0242122), wk = 0.0034130 k( 145) = ( 0.0540540 0.0283242 0.0193697), wk = 0.0034130 k( 146) = ( 0.0405405 0.0212432 0.0145273), wk = 0.0034130 k( 147) = ( 0.0270270 0.0141621 0.0096849), wk = 0.0034130 k( 148) = ( 0.0135135 0.0070811 0.0048424), wk = 0.0034130 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 151) = ( 0.0074881 -0.0051832 -0.0133171), wk = 0.0034130 k( 152) = ( 0.0149761 -0.0103665 -0.0266342), wk = 0.0034130 k( 153) = ( 0.0224642 -0.0155498 -0.0399513), wk = 0.0034130 k( 154) = ( 0.0299523 -0.0207330 -0.0532684), wk = 0.0034130 k( 155) = ( 0.0374403 -0.0259163 -0.0665854), wk = 0.0034130 k( 156) = ( 0.0449284 -0.0310995 -0.0799025), wk = 0.0034130 k( 157) = ( 0.0524165 -0.0362828 -0.0932196), wk = 0.0034130 k( 158) = ( 0.0599045 -0.0414660 -0.1065367), wk = 0.0034130 k( 159) = ( 0.0673926 -0.0466493 -0.1198538), wk = 0.0034130 k( 160) = ( 0.0748807 -0.0518325 -0.1331709), wk = 0.0034130 k( 161) = ( 0.0823687 -0.0570158 -0.1464880), wk = 0.0034130 k( 162) = ( 0.0898568 -0.0621990 -0.1598051), wk = 0.0034130 k( 163) = ( 0.0973448 -0.0673823 -0.1731222), wk = 0.0034130 k( 164) = ( 0.1048329 -0.0725655 -0.1864393), wk = 0.0034130 k( 165) = ( 0.1123210 -0.0777488 -0.1997563), wk = 0.0034130 k( 166) = ( 0.1198090 -0.0829320 -0.2130734), wk = 0.0034130 k( 167) = ( 0.1272971 -0.0881153 -0.2263905), wk = 0.0034130 k( 168) = ( 0.1347852 -0.0932986 -0.2397076), wk = 0.0034130 k( 169) = ( 0.1422732 -0.0984818 -0.2530247), wk = 0.0034130 k( 170) = ( 0.1497613 -0.1036651 -0.2663418), wk = 0.0034130 k( 171) = ( 0.1572494 -0.1088483 -0.2796589), wk = 0.0034130 k( 172) = ( 0.1647374 -0.1140316 -0.2929760), wk = 0.0034130 k( 173) = ( 0.1722255 -0.1192148 -0.3062930), wk = 0.0034130 k( 174) = ( 0.1797136 -0.1243981 -0.3196101), wk = 0.0034130 k( 175) = ( 0.1872016 -0.1295813 -0.3329272), wk = 0.0034130 k( 176) = ( 0.1946897 -0.1347646 -0.3462443), wk = 0.0034130 k( 177) = ( 0.2021777 -0.1399478 -0.3595614), wk = 0.0034130 k( 178) = ( 0.2096658 -0.1451311 -0.3728785), wk = 0.0034130 k( 179) = ( 0.2171539 -0.1503143 -0.3861956), wk = 0.0034130 k( 180) = ( 0.2246420 -0.1554976 -0.3995127), wk = 0.0034130 k( 181) = ( 0.2321300 -0.1606808 -0.4128298), wk = 0.0034130 k( 182) = ( 0.2396181 -0.1658641 -0.4261468), wk = 0.0034130 k( 183) = ( 0.2471061 -0.1710473 -0.4394639), wk = 0.0034130 k( 184) = ( 0.2545942 -0.1762306 -0.4527810), wk = 0.0034130 k( 185) = ( 0.2620823 -0.1814138 -0.4660981), wk = 0.0034130 k( 186) = ( 0.2695703 -0.1865971 -0.4794152), wk = 0.0034130 k( 187) = ( 0.2770584 -0.1917804 -0.4927323), wk = 0.0034130 k( 188) = ( 0.2845465 -0.1969636 -0.5060494), wk = 0.0034130 k( 189) = ( 0.2920345 -0.2021469 -0.5193665), wk = 0.0034130 k( 190) = ( 0.2995226 -0.2073301 -0.5326836), wk = 0.0034130 k( 191) = ( 0.3070107 -0.2125134 -0.5460007), wk = 0.0034130 k( 192) = ( 0.3144987 -0.2176966 -0.5593177), wk = 0.0034130 k( 193) = ( 0.3219868 -0.2228799 -0.5726348), wk = 0.0034130 k( 194) = ( 0.3294748 -0.2280631 -0.5859519), wk = 0.0034130 k( 195) = ( 0.3369629 -0.2332464 -0.5992690), wk = 0.0034130 k( 196) = ( 0.3444510 -0.2384296 -0.6125861), wk = 0.0034130 k( 197) = ( 0.3519390 -0.2436129 -0.6259032), wk = 0.0034130 k( 198) = ( 0.3594271 -0.2487961 -0.6392203), wk = 0.0034130 k( 199) = ( 0.3669152 -0.2539794 -0.6525374), wk = 0.0034130 k( 200) = ( 0.6330848 0.0080199 -0.4733673), wk = 0.0034130 k( 201) = ( 0.6256912 0.0221298 -0.4733673), wk = 0.0034130 k( 202) = ( 0.6182976 0.0362398 -0.4733673), wk = 0.0034130 k( 203) = ( 0.6109040 0.0503498 -0.4733673), wk = 0.0034130 k( 204) = ( 0.6035104 0.0644597 -0.4733673), wk = 0.0034130 k( 205) = ( 0.5961168 0.0785697 -0.4733673), wk = 0.0034130 k( 206) = ( 0.5887232 0.0926797 -0.4733673), wk = 0.0034130 k( 207) = ( 0.5813296 0.1067896 -0.4733673), wk = 0.0034130 k( 208) = ( 0.5739360 0.1208996 -0.4733673), wk = 0.0034130 k( 209) = ( 0.5665424 0.1350096 -0.4733673), wk = 0.0034130 k( 210) = ( 0.5591488 0.1491195 -0.4733673), wk = 0.0034130 k( 211) = ( 0.5517552 0.1632295 -0.4733673), wk = 0.0034130 k( 212) = ( 0.5443616 0.1773395 -0.4733673), wk = 0.0034130 k( 213) = ( 0.5369680 0.1914494 -0.4733673), wk = 0.0034130 k( 214) = ( 0.5295744 0.2055594 -0.4733673), wk = 0.0034130 k( 215) = ( 0.5221808 0.2196694 -0.4733673), wk = 0.0034130 k( 216) = ( 0.5147872 0.2337793 -0.4733673), wk = 0.0034130 k( 217) = ( 0.5073936 0.2478893 -0.4733673), wk = 0.0034130 k( 218) = ( 0.5000000 0.2619993 -0.4733673), wk = 0.0034130 k( 219) = ( 0.5000000 0.2619993 -0.4733673), wk = 0.0034130 k( 220) = ( 0.5088723 0.2666483 -0.4614226), wk = 0.0034130 k( 221) = ( 0.5177446 0.2712974 -0.4494779), wk = 0.0034130 k( 222) = ( 0.5266170 0.2759465 -0.4375333), wk = 0.0034130 k( 223) = ( 0.5354893 0.2805956 -0.4255886), wk = 0.0034130 k( 224) = ( 0.5443616 0.2852447 -0.4136439), wk = 0.0034130 k( 225) = ( 0.5532339 0.2898938 -0.4016993), wk = 0.0034130 k( 226) = ( 0.5621063 0.2945428 -0.3897546), wk = 0.0034130 k( 227) = ( 0.5709786 0.2991919 -0.3778099), wk = 0.0034130 k( 228) = ( 0.5798509 0.3038410 -0.3658652), wk = 0.0034130 k( 229) = ( 0.5887232 0.3084901 -0.3539206), wk = 0.0034130 k( 230) = ( 0.5975955 0.3131392 -0.3419759), wk = 0.0034130 k( 231) = ( 0.6064679 0.3177883 -0.3300312), wk = 0.0034130 k( 232) = ( 0.6153402 0.3224373 -0.3180865), wk = 0.0034130 k( 233) = ( 0.6242125 0.3270864 -0.3061419), wk = 0.0034130 k( 234) = ( 0.6330848 0.3317355 -0.2941972), wk = 0.0034130 k( 235) = ( 0.6330848 0.3317355 -0.2941972), wk = 0.0034130 k( 236) = ( 0.6287918 0.3294859 -0.2789273), wk = 0.0034130 k( 237) = ( 0.6244987 0.3272364 -0.2636574), wk = 0.0034130 k( 238) = ( 0.6202057 0.3249868 -0.2483875), wk = 0.0034130 k( 239) = ( 0.6159126 0.3227373 -0.2331176), wk = 0.0034130 k( 240) = ( 0.6116195 0.3204877 -0.2178476), wk = 0.0034130 k( 241) = ( 0.6073265 0.3182382 -0.2025777), wk = 0.0034130 k( 242) = ( 0.6030334 0.3159886 -0.1873078), wk = 0.0034130 k( 243) = ( 0.5987404 0.3137391 -0.1720379), wk = 0.0034130 k( 244) = ( 0.5944473 0.3114895 -0.1567680), wk = 0.0034130 k( 245) = ( 0.5901542 0.3092399 -0.1414981), wk = 0.0034130 k( 246) = ( 0.5858612 0.3069904 -0.1262282), wk = 0.0034130 k( 247) = ( 0.5815681 0.3047408 -0.1109582), wk = 0.0034130 k( 248) = ( 0.5772751 0.3024913 -0.0956883), wk = 0.0034130 k( 249) = ( 0.5729820 0.3002417 -0.0804184), wk = 0.0034130 k( 250) = ( 0.5686889 0.2979922 -0.0651485), wk = 0.0034130 k( 251) = ( 0.5643959 0.2957426 -0.0498786), wk = 0.0034130 k( 252) = ( 0.5601028 0.2934930 -0.0346087), wk = 0.0034130 k( 253) = ( 0.5558098 0.2912435 -0.0193388), wk = 0.0034130 k( 254) = ( 0.5515167 0.2889939 -0.0040689), wk = 0.0034130 k( 255) = ( 0.5472236 0.2867444 0.0112011), wk = 0.0034130 k( 256) = ( 0.5429306 0.2844948 0.0264710), wk = 0.0034130 k( 257) = ( 0.5386375 0.2822453 0.0417409), wk = 0.0034130 k( 258) = ( 0.5343445 0.2799957 0.0570108), wk = 0.0034130 k( 259) = ( 0.5300514 0.2777462 0.0722807), wk = 0.0034130 k( 260) = ( 0.5257584 0.2754966 0.0875506), wk = 0.0034130 k( 261) = ( 0.5214653 0.2732470 0.1028205), wk = 0.0034130 k( 262) = ( 0.5171722 0.2709975 0.1180904), wk = 0.0034130 k( 263) = ( 0.5128792 0.2687479 0.1333603), wk = 0.0034130 k( 264) = ( 0.5085861 0.2664984 0.1486303), wk = 0.0034130 k( 265) = ( 0.5042931 0.2642488 0.1639002), wk = 0.0034130 k( 266) = ( 0.5000000 0.2619993 0.1791701), wk = 0.0034130 k( 267) = ( 0.5000000 -0.3461010 -0.2366836), wk = 0.0034130 k( 268) = ( 0.5102373 -0.3360241 -0.2297925), wk = 0.0034130 k( 269) = ( 0.5204746 -0.3259472 -0.2229013), wk = 0.0034130 k( 270) = ( 0.5307119 -0.3158703 -0.2160102), wk = 0.0034130 k( 271) = ( 0.5409492 -0.3057934 -0.2091190), wk = 0.0034130 k( 272) = ( 0.5511865 -0.2957165 -0.2022279), wk = 0.0034130 k( 273) = ( 0.5614238 -0.2856396 -0.1953367), wk = 0.0034130 k( 274) = ( 0.5716611 -0.2755627 -0.1884455), wk = 0.0034130 k( 275) = ( 0.5818984 -0.2654858 -0.1815544), wk = 0.0034130 k( 276) = ( 0.5921357 -0.2554089 -0.1746632), wk = 0.0034130 k( 277) = ( 0.6023729 -0.2453320 -0.1677721), wk = 0.0034130 k( 278) = ( 0.6126102 -0.2352551 -0.1608809), wk = 0.0034130 k( 279) = ( 0.6228475 -0.2251782 -0.1539898), wk = 0.0034130 k( 280) = ( 0.6330848 -0.2151013 -0.1470986), wk = 0.0034130 k( 281) = ( 0.6433221 -0.2050244 -0.1402074), wk = 0.0034130 k( 282) = ( 0.6535594 -0.1949475 -0.1333163), wk = 0.0034130 k( 283) = ( 0.6637967 -0.1848706 -0.1264251), wk = 0.0034130 k( 284) = ( 0.6740340 -0.1747937 -0.1195340), wk = 0.0034130 k( 285) = ( 0.6842713 -0.1647169 -0.1126428), wk = 0.0034130 k( 286) = ( 0.6945086 -0.1546400 -0.1057517), wk = 0.0034130 k( 287) = ( 0.7047459 -0.1445631 -0.0988605), wk = 0.0034130 k( 288) = ( 0.7149832 -0.1344862 -0.0919693), wk = 0.0034130 k( 289) = ( 0.7252205 -0.1244093 -0.0850782), wk = 0.0034130 k( 290) = ( 0.7354578 -0.1143324 -0.0781870), wk = 0.0034130 k( 291) = ( 0.7456951 -0.1042555 -0.0712959), wk = 0.0034130 k( 292) = ( 0.7559324 -0.0941786 -0.0644047), wk = 0.0034130 k( 293) = ( 0.7661697 -0.0841017 -0.0575136), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0034130 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0034130 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0034130 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0034130 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0034130 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0034130 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0034130 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0034130 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0034130 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0034130 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0034130 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0034130 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0034130 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0034130 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0034130 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0034130 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0034130 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0034130 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0034130 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0034130 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0034130 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0034130 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0034130 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0034130 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0034130 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0034130 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0034130 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0034130 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0034130 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0034130 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0034130 k( 38) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0034130 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0034130 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0034130 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0034130 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 44) = ( 0.5000000 0.0075429 -0.0075429), wk = 0.0034130 k( 45) = ( 0.5000000 0.0150858 -0.0150858), wk = 0.0034130 k( 46) = ( 0.5000000 0.0226287 -0.0226287), wk = 0.0034130 k( 47) = ( 0.5000000 0.0301717 -0.0301717), wk = 0.0034130 k( 48) = ( 0.5000000 0.0377146 -0.0377146), wk = 0.0034130 k( 49) = ( 0.5000000 0.0452575 -0.0452575), wk = 0.0034130 k( 50) = ( 0.5000000 0.0528004 -0.0528004), wk = 0.0034130 k( 51) = ( 0.5000000 0.0603433 -0.0603433), wk = 0.0034130 k( 52) = ( 0.5000000 0.0678862 -0.0678862), wk = 0.0034130 k( 53) = ( 0.5000000 0.0754291 -0.0754292), wk = 0.0034130 k( 54) = ( 0.5000000 0.0829721 -0.0829721), wk = 0.0034130 k( 55) = ( 0.5000000 0.0905150 -0.0905150), wk = 0.0034130 k( 56) = ( 0.5000000 0.0980579 -0.0980579), wk = 0.0034130 k( 57) = ( 0.5000000 0.1056008 -0.1056008), wk = 0.0034130 k( 58) = ( 0.5000000 0.1131437 -0.1131437), wk = 0.0034130 k( 59) = ( 0.5000000 0.1206866 -0.1206866), wk = 0.0034130 k( 60) = ( 0.5000000 0.1282295 -0.1282296), wk = 0.0034130 k( 61) = ( 0.5000000 0.1357725 -0.1357725), wk = 0.0034130 k( 62) = ( 0.5000000 0.1433154 -0.1433154), wk = 0.0034130 k( 63) = ( 0.5000000 0.1508583 -0.1508583), wk = 0.0034130 k( 64) = ( 0.5000000 0.1584012 -0.1584012), wk = 0.0034130 k( 65) = ( 0.5000000 0.1659441 -0.1659441), wk = 0.0034130 k( 66) = ( 0.5000000 0.1734870 -0.1734870), wk = 0.0034130 k( 67) = ( 0.5000000 0.1810299 -0.1810300), wk = 0.0034130 k( 68) = ( 0.5000000 0.1885729 -0.1885729), wk = 0.0034130 k( 69) = ( 0.5000000 0.1961158 -0.1961158), wk = 0.0034130 k( 70) = ( 0.5000000 0.2036587 -0.2036587), wk = 0.0034130 k( 71) = ( 0.5000000 0.2112016 -0.2112016), wk = 0.0034130 k( 72) = ( 0.5000000 0.2187445 -0.2187445), wk = 0.0034130 k( 73) = ( 0.5000000 0.2262874 -0.2262874), wk = 0.0034130 k( 74) = ( 0.5000000 0.2338303 -0.2338304), wk = 0.0034130 k( 75) = ( 0.7661697 0.5000000 0.2338303), wk = 0.0034130 k( 76) = ( 0.7587760 0.5000000 0.2412240), wk = 0.0034130 k( 77) = ( 0.7513824 0.5000000 0.2486176), wk = 0.0034130 k( 78) = ( 0.7439888 0.5000000 0.2560112), wk = 0.0034130 k( 79) = ( 0.7365952 0.5000000 0.2634048), wk = 0.0034130 k( 80) = ( 0.7292016 0.5000000 0.2707984), wk = 0.0034130 k( 81) = ( 0.7218080 0.5000000 0.2781920), wk = 0.0034130 k( 82) = ( 0.7144144 0.5000000 0.2855856), wk = 0.0034130 k( 83) = ( 0.7070208 0.5000000 0.2929792), wk = 0.0034130 k( 84) = ( 0.6996272 0.5000000 0.3003728), wk = 0.0034130 k( 85) = ( 0.6922336 0.5000000 0.3077664), wk = 0.0034130 k( 86) = ( 0.6848400 0.5000000 0.3151600), wk = 0.0034130 k( 87) = ( 0.6774464 0.5000000 0.3225536), wk = 0.0034130 k( 88) = ( 0.6700528 0.5000000 0.3299472), wk = 0.0034130 k( 89) = ( 0.6626592 0.5000000 0.3373408), wk = 0.0034130 k( 90) = ( 0.6552656 0.5000000 0.3447344), wk = 0.0034130 k( 91) = ( 0.6478720 0.5000000 0.3521280), wk = 0.0034130 k( 92) = ( 0.6404784 0.5000000 0.3595216), wk = 0.0034130 k( 93) = ( 0.6330848 0.5000000 0.3669152), wk = 0.0034130 k( 94) = ( 0.6256912 0.5000000 0.3743088), wk = 0.0034130 k( 95) = ( 0.6182976 0.5000000 0.3817024), wk = 0.0034130 k( 96) = ( 0.6109040 0.5000000 0.3890960), wk = 0.0034130 k( 97) = ( 0.6035104 0.5000000 0.3964896), wk = 0.0034130 k( 98) = ( 0.5961168 0.5000000 0.4038832), wk = 0.0034130 k( 99) = ( 0.5887232 0.5000000 0.4112768), wk = 0.0034130 k( 100) = ( 0.5813296 0.5000000 0.4186704), wk = 0.0034130 k( 101) = ( 0.5739360 0.5000000 0.4260640), wk = 0.0034130 k( 102) = ( 0.5665424 0.5000000 0.4334576), wk = 0.0034130 k( 103) = ( 0.5591488 0.5000000 0.4408512), wk = 0.0034130 k( 104) = ( 0.5517552 0.5000000 0.4482448), wk = 0.0034130 k( 105) = ( 0.5443616 0.5000000 0.4556384), wk = 0.0034130 k( 106) = ( 0.5369680 0.5000000 0.4630320), wk = 0.0034130 k( 107) = ( 0.5295744 0.5000000 0.4704256), wk = 0.0034130 k( 108) = ( 0.5221808 0.5000000 0.4778192), wk = 0.0034130 k( 109) = ( 0.5147872 0.5000000 0.4852128), wk = 0.0034130 k( 110) = ( 0.5073936 0.5000000 0.4926064), wk = 0.0034130 k( 111) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 112) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 113) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0034130 k( 114) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0034130 k( 115) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0034130 k( 116) = ( 0.4459459 0.4459460 0.4459459), wk = 0.0034130 k( 117) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0034130 k( 118) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0034130 k( 119) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0034130 k( 120) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0034130 k( 121) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0034130 k( 122) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0034130 k( 123) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0034130 k( 124) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0034130 k( 125) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0034130 k( 126) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0034130 k( 127) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0034130 k( 128) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0034130 k( 129) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0034130 k( 130) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0034130 k( 131) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0034130 k( 132) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0034130 k( 133) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0034130 k( 134) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0034130 k( 135) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0034130 k( 136) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0034130 k( 137) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0034130 k( 138) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0034130 k( 139) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0034130 k( 140) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0034130 k( 141) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0034130 k( 142) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0034130 k( 143) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0034130 k( 144) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0034130 k( 145) = ( 0.0540540 0.0540540 0.0540541), wk = 0.0034130 k( 146) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0034130 k( 147) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0034130 k( 148) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0034130 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 151) = ( 0.0074881 -0.0000000 -0.0074881), wk = 0.0034130 k( 152) = ( 0.0149761 -0.0000000 -0.0149761), wk = 0.0034130 k( 153) = ( 0.0224642 -0.0000000 -0.0224642), wk = 0.0034130 k( 154) = ( 0.0299523 -0.0000000 -0.0299523), wk = 0.0034130 k( 155) = ( 0.0374403 -0.0000000 -0.0374403), wk = 0.0034130 k( 156) = ( 0.0449284 -0.0000000 -0.0449284), wk = 0.0034130 k( 157) = ( 0.0524165 -0.0000000 -0.0524165), wk = 0.0034130 k( 158) = ( 0.0599045 -0.0000000 -0.0599045), wk = 0.0034130 k( 159) = ( 0.0673926 -0.0000000 -0.0673926), wk = 0.0034130 k( 160) = ( 0.0748807 -0.0000000 -0.0748807), wk = 0.0034130 k( 161) = ( 0.0823687 -0.0000000 -0.0823687), wk = 0.0034130 k( 162) = ( 0.0898568 -0.0000000 -0.0898568), wk = 0.0034130 k( 163) = ( 0.0973448 -0.0000000 -0.0973448), wk = 0.0034130 k( 164) = ( 0.1048329 -0.0000000 -0.1048329), wk = 0.0034130 k( 165) = ( 0.1123210 -0.0000000 -0.1123210), wk = 0.0034130 k( 166) = ( 0.1198090 -0.0000000 -0.1198090), wk = 0.0034130 k( 167) = ( 0.1272971 -0.0000000 -0.1272971), wk = 0.0034130 k( 168) = ( 0.1347852 -0.0000000 -0.1347852), wk = 0.0034130 k( 169) = ( 0.1422732 -0.0000000 -0.1422732), wk = 0.0034130 k( 170) = ( 0.1497613 -0.0000000 -0.1497613), wk = 0.0034130 k( 171) = ( 0.1572494 -0.0000000 -0.1572494), wk = 0.0034130 k( 172) = ( 0.1647374 -0.0000000 -0.1647374), wk = 0.0034130 k( 173) = ( 0.1722255 -0.0000000 -0.1722255), wk = 0.0034130 k( 174) = ( 0.1797136 -0.0000000 -0.1797136), wk = 0.0034130 k( 175) = ( 0.1872016 -0.0000000 -0.1872016), wk = 0.0034130 k( 176) = ( 0.1946897 -0.0000000 -0.1946897), wk = 0.0034130 k( 177) = ( 0.2021777 -0.0000000 -0.2021778), wk = 0.0034130 k( 178) = ( 0.2096658 -0.0000000 -0.2096658), wk = 0.0034130 k( 179) = ( 0.2171539 -0.0000000 -0.2171539), wk = 0.0034130 k( 180) = ( 0.2246420 -0.0000000 -0.2246420), wk = 0.0034130 k( 181) = ( 0.2321300 -0.0000000 -0.2321300), wk = 0.0034130 k( 182) = ( 0.2396181 -0.0000000 -0.2396181), wk = 0.0034130 k( 183) = ( 0.2471061 -0.0000000 -0.2471061), wk = 0.0034130 k( 184) = ( 0.2545942 -0.0000000 -0.2545942), wk = 0.0034130 k( 185) = ( 0.2620823 -0.0000000 -0.2620823), wk = 0.0034130 k( 186) = ( 0.2695703 -0.0000000 -0.2695703), wk = 0.0034130 k( 187) = ( 0.2770584 -0.0000000 -0.2770584), wk = 0.0034130 k( 188) = ( 0.2845465 -0.0000000 -0.2845465), wk = 0.0034130 k( 189) = ( 0.2920345 -0.0000000 -0.2920345), wk = 0.0034130 k( 190) = ( 0.2995226 -0.0000000 -0.2995226), wk = 0.0034130 k( 191) = ( 0.3070107 -0.0000000 -0.3070107), wk = 0.0034130 k( 192) = ( 0.3144987 -0.0000000 -0.3144987), wk = 0.0034130 k( 193) = ( 0.3219868 -0.0000000 -0.3219868), wk = 0.0034130 k( 194) = ( 0.3294748 -0.0000000 -0.3294749), wk = 0.0034130 k( 195) = ( 0.3369629 -0.0000000 -0.3369629), wk = 0.0034130 k( 196) = ( 0.3444510 -0.0000000 -0.3444510), wk = 0.0034130 k( 197) = ( 0.3519390 -0.0000000 -0.3519391), wk = 0.0034130 k( 198) = ( 0.3594271 -0.0000000 -0.3594271), wk = 0.0034130 k( 199) = ( 0.3669152 -0.0000000 -0.3669152), wk = 0.0034130 k( 200) = ( 0.6330848 0.3669152 -0.0000000), wk = 0.0034130 k( 201) = ( 0.6256912 0.3743088 -0.0000000), wk = 0.0034130 k( 202) = ( 0.6182976 0.3817024 -0.0000000), wk = 0.0034130 k( 203) = ( 0.6109040 0.3890960 -0.0000000), wk = 0.0034130 k( 204) = ( 0.6035104 0.3964896 -0.0000000), wk = 0.0034130 k( 205) = ( 0.5961168 0.4038832 -0.0000000), wk = 0.0034130 k( 206) = ( 0.5887232 0.4112768 -0.0000000), wk = 0.0034130 k( 207) = ( 0.5813296 0.4186704 -0.0000000), wk = 0.0034130 k( 208) = ( 0.5739360 0.4260640 -0.0000000), wk = 0.0034130 k( 209) = ( 0.5665424 0.4334576 -0.0000000), wk = 0.0034130 k( 210) = ( 0.5591488 0.4408512 -0.0000000), wk = 0.0034130 k( 211) = ( 0.5517552 0.4482448 -0.0000000), wk = 0.0034130 k( 212) = ( 0.5443616 0.4556384 -0.0000000), wk = 0.0034130 k( 213) = ( 0.5369680 0.4630320 -0.0000000), wk = 0.0034130 k( 214) = ( 0.5295744 0.4704256 -0.0000000), wk = 0.0034130 k( 215) = ( 0.5221808 0.4778192 -0.0000000), wk = 0.0034130 k( 216) = ( 0.5147872 0.4852128 -0.0000000), wk = 0.0034130 k( 217) = ( 0.5073936 0.4926064 -0.0000000), wk = 0.0034130 k( 218) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 219) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 220) = ( 0.5088723 0.5088723 0.0155887), wk = 0.0034130 k( 221) = ( 0.5177446 0.5177446 0.0311774), wk = 0.0034130 k( 222) = ( 0.5266170 0.5266170 0.0467661), wk = 0.0034130 k( 223) = ( 0.5354893 0.5354893 0.0623548), wk = 0.0034130 k( 224) = ( 0.5443616 0.5443616 0.0779434), wk = 0.0034130 k( 225) = ( 0.5532339 0.5532339 0.0935321), wk = 0.0034130 k( 226) = ( 0.5621063 0.5621063 0.1091208), wk = 0.0034130 k( 227) = ( 0.5709786 0.5709786 0.1247095), wk = 0.0034130 k( 228) = ( 0.5798509 0.5798509 0.1402982), wk = 0.0034130 k( 229) = ( 0.5887232 0.5887232 0.1558869), wk = 0.0034130 k( 230) = ( 0.5975955 0.5975955 0.1714756), wk = 0.0034130 k( 231) = ( 0.6064679 0.6064679 0.1870643), wk = 0.0034130 k( 232) = ( 0.6153402 0.6153402 0.2026530), wk = 0.0034130 k( 233) = ( 0.6242125 0.6242125 0.2182417), wk = 0.0034130 k( 234) = ( 0.6330848 0.6330848 0.2338303), wk = 0.0034130 k( 235) = ( 0.6330848 0.6330848 0.2338303), wk = 0.0034130 k( 236) = ( 0.6287918 0.6287918 0.2424165), wk = 0.0034130 k( 237) = ( 0.6244987 0.6244987 0.2510026), wk = 0.0034130 k( 238) = ( 0.6202057 0.6202057 0.2595887), wk = 0.0034130 k( 239) = ( 0.6159126 0.6159126 0.2681748), wk = 0.0034130 k( 240) = ( 0.6116195 0.6116195 0.2767609), wk = 0.0034130 k( 241) = ( 0.6073265 0.6073265 0.2853471), wk = 0.0034130 k( 242) = ( 0.6030334 0.6030334 0.2939332), wk = 0.0034130 k( 243) = ( 0.5987404 0.5987404 0.3025193), wk = 0.0034130 k( 244) = ( 0.5944473 0.5944473 0.3111054), wk = 0.0034130 k( 245) = ( 0.5901542 0.5901542 0.3196915), wk = 0.0034130 k( 246) = ( 0.5858612 0.5858612 0.3282776), wk = 0.0034130 k( 247) = ( 0.5815681 0.5815681 0.3368638), wk = 0.0034130 k( 248) = ( 0.5772751 0.5772751 0.3454499), wk = 0.0034130 k( 249) = ( 0.5729820 0.5729820 0.3540360), wk = 0.0034130 k( 250) = ( 0.5686889 0.5686889 0.3626221), wk = 0.0034130 k( 251) = ( 0.5643959 0.5643959 0.3712082), wk = 0.0034130 k( 252) = ( 0.5601028 0.5601028 0.3797944), wk = 0.0034130 k( 253) = ( 0.5558098 0.5558098 0.3883805), wk = 0.0034130 k( 254) = ( 0.5515167 0.5515167 0.3969666), wk = 0.0034130 k( 255) = ( 0.5472236 0.5472236 0.4055527), wk = 0.0034130 k( 256) = ( 0.5429306 0.5429306 0.4141388), wk = 0.0034130 k( 257) = ( 0.5386375 0.5386375 0.4227249), wk = 0.0034130 k( 258) = ( 0.5343445 0.5343445 0.4313111), wk = 0.0034130 k( 259) = ( 0.5300514 0.5300514 0.4398972), wk = 0.0034130 k( 260) = ( 0.5257584 0.5257584 0.4484833), wk = 0.0034130 k( 261) = ( 0.5214653 0.5214653 0.4570694), wk = 0.0034130 k( 262) = ( 0.5171722 0.5171722 0.4656555), wk = 0.0034130 k( 263) = ( 0.5128792 0.5128792 0.4742417), wk = 0.0034130 k( 264) = ( 0.5085861 0.5085861 0.4828278), wk = 0.0034130 k( 265) = ( 0.5042931 0.5042931 0.4914139), wk = 0.0034130 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 267) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 268) = ( 0.5102373 0.0141121 0.0141121), wk = 0.0034130 k( 269) = ( 0.5204746 0.0282242 0.0282242), wk = 0.0034130 k( 270) = ( 0.5307119 0.0423364 0.0423364), wk = 0.0034130 k( 271) = ( 0.5409492 0.0564485 0.0564485), wk = 0.0034130 k( 272) = ( 0.5511865 0.0705606 0.0705606), wk = 0.0034130 k( 273) = ( 0.5614238 0.0846727 0.0846727), wk = 0.0034130 k( 274) = ( 0.5716611 0.0987849 0.0987849), wk = 0.0034130 k( 275) = ( 0.5818984 0.1128970 0.1128970), wk = 0.0034130 k( 276) = ( 0.5921357 0.1270091 0.1270091), wk = 0.0034130 k( 277) = ( 0.6023729 0.1411212 0.1411212), wk = 0.0034130 k( 278) = ( 0.6126102 0.1552333 0.1552333), wk = 0.0034130 k( 279) = ( 0.6228475 0.1693455 0.1693455), wk = 0.0034130 k( 280) = ( 0.6330848 0.1834576 0.1834576), wk = 0.0034130 k( 281) = ( 0.6433221 0.1975697 0.1975697), wk = 0.0034130 k( 282) = ( 0.6535594 0.2116818 0.2116818), wk = 0.0034130 k( 283) = ( 0.6637967 0.2257940 0.2257940), wk = 0.0034130 k( 284) = ( 0.6740340 0.2399061 0.2399061), wk = 0.0034130 k( 285) = ( 0.6842713 0.2540182 0.2540182), wk = 0.0034130 k( 286) = ( 0.6945086 0.2681303 0.2681303), wk = 0.0034130 k( 287) = ( 0.7047459 0.2822424 0.2822424), wk = 0.0034130 k( 288) = ( 0.7149832 0.2963546 0.2963546), wk = 0.0034130 k( 289) = ( 0.7252205 0.3104667 0.3104667), wk = 0.0034130 k( 290) = ( 0.7354578 0.3245788 0.3245788), wk = 0.0034130 k( 291) = ( 0.7456951 0.3386909 0.3386909), wk = 0.0034130 k( 292) = ( 0.7559324 0.3528030 0.3528030), wk = 0.0034130 k( 293) = ( 0.7661697 0.3669152 0.3669152), wk = 0.0034130 Dense grid: 55871 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 24689 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 178, 58) NL pseudopotentials 0.30 Mb ( 89, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1552) G-vector shells 0.01 Mb ( 1276) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 178, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Al2O3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.1 secs Computing kpt #: 16 total cpu time spent up to now is 13.7 secs Computing kpt #: 17 total cpu time spent up to now is 14.3 secs Computing kpt #: 18 total cpu time spent up to now is 14.9 secs Computing kpt #: 19 total cpu time spent up to now is 15.5 secs Computing kpt #: 20 total cpu time spent up to now is 16.1 secs Computing kpt #: 21 total cpu time spent up to now is 16.7 secs Computing kpt #: 22 total cpu time spent up to now is 17.3 secs Computing kpt #: 23 total cpu time spent up to now is 17.9 secs Computing kpt #: 24 total cpu time spent up to now is 18.5 secs Computing kpt #: 25 total cpu time spent up to now is 19.1 secs Computing kpt #: 26 total cpu time spent up to now is 19.8 secs Computing kpt #: 27 total cpu time spent up to now is 20.4 secs Computing kpt #: 28 total cpu time spent up to now is 21.0 secs Computing kpt #: 29 total cpu time spent up to now is 21.6 secs Computing kpt #: 30 total cpu time spent up to now is 22.2 secs Computing kpt #: 31 total cpu time spent up to now is 22.9 secs Computing kpt #: 32 total cpu time spent up to now is 23.6 secs Computing kpt #: 33 total cpu time spent up to now is 24.3 secs Computing kpt #: 34 total cpu time spent up to now is 25.0 secs Computing kpt #: 35 total cpu time spent up to now is 25.7 secs Computing kpt #: 36 total cpu time spent up to now is 26.4 secs Computing kpt #: 37 total cpu time spent up to now is 27.1 secs Computing kpt #: 38 total cpu time spent up to now is 27.8 secs Computing kpt #: 39 total cpu time spent up to now is 28.5 secs Computing kpt #: 40 total cpu time spent up to now is 29.2 secs Computing kpt #: 41 total cpu time spent up to now is 30.0 secs Computing kpt #: 42 total cpu time spent up to now is 30.7 secs Computing kpt #: 43 total cpu time spent up to now is 31.4 secs Computing kpt #: 44 total cpu time spent up to now is 32.1 secs Computing kpt #: 45 total cpu time spent up to now is 32.9 secs Computing kpt #: 46 total cpu time spent up to now is 33.7 secs Computing kpt #: 47 total cpu time spent up to now is 34.4 secs Computing kpt #: 48 total cpu time spent up to now is 35.2 secs Computing kpt #: 49 total cpu time spent up to now is 35.9 secs Computing kpt #: 50 total cpu time spent up to now is 36.6 secs Computing kpt #: 51 total cpu time spent up to now is 37.4 secs Computing kpt #: 52 total cpu time spent up to now is 38.2 secs Computing kpt #: 53 total cpu time spent up to now is 38.9 secs Computing kpt #: 54 total cpu time spent up to now is 39.7 secs Computing kpt #: 55 total cpu time spent up to now is 40.5 secs Computing kpt #: 56 total cpu time spent up to now is 41.2 secs Computing kpt #: 57 total cpu time spent up to now is 42.0 secs Computing kpt #: 58 total cpu time spent up to now is 42.7 secs Computing kpt #: 59 total cpu time spent up to now is 43.4 secs Computing kpt #: 60 total cpu time spent up to now is 44.1 secs Computing kpt #: 61 total cpu time spent up to now is 44.8 secs Computing kpt #: 62 total cpu time spent up to now is 45.5 secs Computing kpt #: 63 total cpu time spent up to now is 46.3 secs Computing kpt #: 64 total cpu time spent up to now is 47.0 secs Computing kpt #: 65 total cpu time spent up to now is 47.7 secs Computing kpt #: 66 total cpu time spent up to now is 48.4 secs Computing kpt #: 67 total cpu time spent up to now is 49.1 secs Computing kpt #: 68 total cpu time spent up to now is 49.9 secs Computing kpt #: 69 total cpu time spent up to now is 50.6 secs Computing kpt #: 70 total cpu time spent up to now is 51.3 secs Computing kpt #: 71 total cpu time spent up to now is 52.1 secs Computing kpt #: 72 total cpu time spent up to now is 52.8 secs Computing kpt #: 73 total cpu time spent up to now is 53.5 secs Computing kpt #: 74 total cpu time spent up to now is 54.2 secs Computing kpt #: 75 total cpu time spent up to now is 55.0 secs Computing kpt #: 76 total cpu time spent up to now is 55.7 secs Computing kpt #: 77 total cpu time spent up to now is 56.4 secs Computing kpt #: 78 total cpu time spent up to now is 57.1 secs Computing kpt #: 79 total cpu time spent up to now is 57.9 secs Computing kpt #: 80 total cpu time spent up to now is 58.6 secs Computing kpt #: 81 total cpu time spent up to now is 59.3 secs Computing kpt #: 82 total cpu time spent up to now is 60.0 secs Computing kpt #: 83 total cpu time spent up to now is 60.6 secs Computing kpt #: 84 total cpu time spent up to now is 61.3 secs Computing kpt #: 85 total cpu time spent up to now is 62.0 secs Computing kpt #: 86 total cpu time spent up to now is 62.7 secs Computing kpt #: 87 total cpu time spent up to now is 63.4 secs Computing kpt #: 88 total cpu time spent up to now is 64.1 secs Computing kpt #: 89 total cpu time spent up to now is 64.9 secs Computing kpt #: 90 total cpu time spent up to now is 65.6 secs Computing kpt #: 91 total cpu time spent up to now is 66.3 secs Computing kpt #: 92 total cpu time spent up to now is 67.1 secs Computing kpt #: 93 total cpu time spent up to now is 67.8 secs Computing kpt #: 94 total cpu time spent up to now is 68.7 secs Computing kpt #: 95 total cpu time spent up to now is 69.6 secs Computing kpt #: 96 total cpu time spent up to now is 70.4 secs Computing kpt #: 97 total cpu time spent up to now is 71.1 secs Computing kpt #: 98 total cpu time spent up to now is 71.9 secs Computing kpt #: 99 total cpu time spent up to now is 72.6 secs Computing kpt #: 100 total cpu time spent up to now is 73.5 secs Computing kpt #: 101 total cpu time spent up to now is 74.4 secs Computing kpt #: 102 total cpu time spent up to now is 75.3 secs Computing kpt #: 103 total cpu time spent up to now is 76.3 secs Computing kpt #: 104 total cpu time spent up to now is 77.0 secs Computing kpt #: 105 total cpu time spent up to now is 77.9 secs Computing kpt #: 106 total cpu time spent up to now is 78.8 secs Computing kpt #: 107 total cpu time spent up to now is 79.8 secs Computing kpt #: 108 total cpu time spent up to now is 80.8 secs Computing kpt #: 109 total cpu time spent up to now is 81.8 secs Computing kpt #: 110 total cpu time spent up to now is 82.7 secs Computing kpt #: 111 total cpu time spent up to now is 83.4 secs Computing kpt #: 112 total cpu time spent up to now is 84.1 secs Computing kpt #: 113 total cpu time spent up to now is 85.1 secs Computing kpt #: 114 total cpu time spent up to now is 86.0 secs Computing kpt #: 115 total cpu time spent up to now is 87.2 secs Computing kpt #: 116 total cpu time spent up to now is 88.4 secs Computing kpt #: 117 total cpu time spent up to now is 89.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.2 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.0 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.8 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.6 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.4 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.2 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.9 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.7 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.4 secs Computing kpt #: 127 total cpu time spent up to now is 107.0 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.7 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.4 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.1 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.8 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.5 secs Computing kpt #: 133 total cpu time spent up to now is 116.5 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.2 secs Computing kpt #: 136 total cpu time spent up to now is 121.5 secs Computing kpt #: 137 total cpu time spent up to now is 122.6 secs Computing kpt #: 138 total cpu time spent up to now is 123.6 secs Computing kpt #: 139 total cpu time spent up to now is 124.6 secs Computing kpt #: 140 total cpu time spent up to now is 125.8 secs Computing kpt #: 141 total cpu time spent up to now is 126.8 secs Computing kpt #: 142 total cpu time spent up to now is 127.8 secs Computing kpt #: 143 total cpu time spent up to now is 128.7 secs Computing kpt #: 144 total cpu time spent up to now is 129.7 secs Computing kpt #: 145 total cpu time spent up to now is 130.7 secs Computing kpt #: 146 total cpu time spent up to now is 131.7 secs Computing kpt #: 147 total cpu time spent up to now is 132.7 secs Computing kpt #: 148 total cpu time spent up to now is 133.7 secs Computing kpt #: 149 total cpu time spent up to now is 134.6 secs Computing kpt #: 150 total cpu time spent up to now is 135.6 secs Computing kpt #: 151 total cpu time spent up to now is 136.5 secs Computing kpt #: 152 total cpu time spent up to now is 137.3 secs Computing kpt #: 153 total cpu time spent up to now is 138.1 secs Computing kpt #: 154 total cpu time spent up to now is 139.0 secs Computing kpt #: 155 total cpu time spent up to now is 139.8 secs Computing kpt #: 156 total cpu time spent up to now is 140.4 secs Computing kpt #: 157 total cpu time spent up to now is 141.1 secs Computing kpt #: 158 total cpu time spent up to now is 141.8 secs Computing kpt #: 159 total cpu time spent up to now is 142.5 secs Computing kpt #: 160 total cpu time spent up to now is 143.1 secs Computing kpt #: 161 total cpu time spent up to now is 143.8 secs Computing kpt #: 162 total cpu time spent up to now is 144.4 secs Computing kpt #: 163 total cpu time spent up to now is 145.0 secs Computing kpt #: 164 total cpu time spent up to now is 145.6 secs Computing kpt #: 165 total cpu time spent up to now is 146.3 secs Computing kpt #: 166 total cpu time spent up to now is 146.9 secs Computing kpt #: 167 total cpu time spent up to now is 147.5 secs Computing kpt #: 168 total cpu time spent up to now is 148.1 secs Computing kpt #: 169 total cpu time spent up to now is 148.7 secs Computing kpt #: 170 total cpu time spent up to now is 149.3 secs Computing kpt #: 171 total cpu time spent up to now is 149.9 secs Computing kpt #: 172 total cpu time spent up to now is 150.5 secs Computing kpt #: 173 total cpu time spent up to now is 151.0 secs Computing kpt #: 174 total cpu time spent up to now is 151.6 secs Computing kpt #: 175 total cpu time spent up to now is 152.2 secs Computing kpt #: 176 total cpu time spent up to now is 152.9 secs Computing kpt #: 177 total cpu time spent up to now is 153.5 secs Computing kpt #: 178 total cpu time spent up to now is 154.1 secs Computing kpt #: 179 total cpu time spent up to now is 154.8 secs Computing kpt #: 180 total cpu time spent up to now is 155.5 secs Computing kpt #: 181 total cpu time spent up to now is 156.1 secs Computing kpt #: 182 total cpu time spent up to now is 156.8 secs Computing kpt #: 183 total cpu time spent up to now is 157.5 secs Computing kpt #: 184 total cpu time spent up to now is 158.2 secs Computing kpt #: 185 total cpu time spent up to now is 158.8 secs Computing kpt #: 186 total cpu time spent up to now is 159.5 secs Computing kpt #: 187 total cpu time spent up to now is 160.2 secs Computing kpt #: 188 total cpu time spent up to now is 160.9 secs Computing kpt #: 189 total cpu time spent up to now is 161.6 secs Computing kpt #: 190 total cpu time spent up to now is 162.3 secs Computing kpt #: 191 total cpu time spent up to now is 163.0 secs Computing kpt #: 192 total cpu time spent up to now is 163.7 secs Computing kpt #: 193 total cpu time spent up to now is 164.3 secs Computing kpt #: 194 total cpu time spent up to now is 165.0 secs Computing kpt #: 195 total cpu time spent up to now is 165.7 secs Computing kpt #: 196 total cpu time spent up to now is 166.4 secs Computing kpt #: 197 total cpu time spent up to now is 167.1 secs Computing kpt #: 198 total cpu time spent up to now is 167.8 secs Computing kpt #: 199 total cpu time spent up to now is 168.5 secs Computing kpt #: 200 total cpu time spent up to now is 169.2 secs Computing kpt #: 201 total cpu time spent up to now is 169.9 secs Computing kpt #: 202 total cpu time spent up to now is 170.6 secs Computing kpt #: 203 total cpu time spent up to now is 171.3 secs Computing kpt #: 204 total cpu time spent up to now is 172.0 secs Computing kpt #: 205 total cpu time spent up to now is 172.7 secs Computing kpt #: 206 total cpu time spent up to now is 173.4 secs Computing kpt #: 207 total cpu time spent up to now is 174.2 secs Computing kpt #: 208 total cpu time spent up to now is 175.0 secs Computing kpt #: 209 total cpu time spent up to now is 175.7 secs Computing kpt #: 210 total cpu time spent up to now is 176.5 secs Computing kpt #: 211 total cpu time spent up to now is 177.3 secs Computing kpt #: 212 total cpu time spent up to now is 178.1 secs Computing kpt #: 213 total cpu time spent up to now is 178.9 secs Computing kpt #: 214 total cpu time spent up to now is 179.6 secs Computing kpt #: 215 total cpu time spent up to now is 180.4 secs Computing kpt #: 216 total cpu time spent up to now is 181.2 secs Computing kpt #: 217 total cpu time spent up to now is 181.9 secs Computing kpt #: 218 total cpu time spent up to now is 182.6 secs Computing kpt #: 219 total cpu time spent up to now is 183.4 secs Computing kpt #: 220 total cpu time spent up to now is 184.1 secs Computing kpt #: 221 total cpu time spent up to now is 184.8 secs Computing kpt #: 222 total cpu time spent up to now is 185.5 secs Computing kpt #: 223 total cpu time spent up to now is 186.2 secs Computing kpt #: 224 total cpu time spent up to now is 186.9 secs Computing kpt #: 225 total cpu time spent up to now is 187.6 secs Computing kpt #: 226 total cpu time spent up to now is 188.3 secs Computing kpt #: 227 total cpu time spent up to now is 189.0 secs Computing kpt #: 228 total cpu time spent up to now is 189.6 secs Computing kpt #: 229 total cpu time spent up to now is 190.2 secs Computing kpt #: 230 total cpu time spent up to now is 190.8 secs Computing kpt #: 231 total cpu time spent up to now is 191.4 secs Computing kpt #: 232 total cpu time spent up to now is 192.0 secs Computing kpt #: 233 total cpu time spent up to now is 192.5 secs Computing kpt #: 234 total cpu time spent up to now is 193.1 secs Computing kpt #: 235 total cpu time spent up to now is 193.7 secs Computing kpt #: 236 total cpu time spent up to now is 194.3 secs Computing kpt #: 237 total cpu time spent up to now is 194.9 secs Computing kpt #: 238 total cpu time spent up to now is 195.4 secs Computing kpt #: 239 total cpu time spent up to now is 196.0 secs Computing kpt #: 240 total cpu time spent up to now is 196.6 secs Computing kpt #: 241 total cpu time spent up to now is 197.2 secs Computing kpt #: 242 total cpu time spent up to now is 197.9 secs Computing kpt #: 243 total cpu time spent up to now is 198.6 secs Computing kpt #: 244 total cpu time spent up to now is 199.3 secs Computing kpt #: 245 total cpu time spent up to now is 200.0 secs Computing kpt #: 246 total cpu time spent up to now is 200.7 secs Computing kpt #: 247 total cpu time spent up to now is 201.4 secs Computing kpt #: 248 total cpu time spent up to now is 202.1 secs Computing kpt #: 249 total cpu time spent up to now is 202.9 secs Computing kpt #: 250 total cpu time spent up to now is 203.6 secs Computing kpt #: 251 total cpu time spent up to now is 204.4 secs Computing kpt #: 252 total cpu time spent up to now is 205.2 secs Computing kpt #: 253 total cpu time spent up to now is 206.0 secs Computing kpt #: 254 total cpu time spent up to now is 206.7 secs Computing kpt #: 255 total cpu time spent up to now is 207.4 secs Computing kpt #: 256 total cpu time spent up to now is 208.1 secs Computing kpt #: 257 total cpu time spent up to now is 208.9 secs Computing kpt #: 258 total cpu time spent up to now is 209.7 secs Computing kpt #: 259 total cpu time spent up to now is 210.5 secs Computing kpt #: 260 total cpu time spent up to now is 211.7 secs Computing kpt #: 261 total cpu time spent up to now is 212.7 secs Computing kpt #: 262 total cpu time spent up to now is 214.1 secs Computing kpt #: 263 total cpu time spent up to now is 214.8 secs Computing kpt #: 264 total cpu time spent up to now is 216.0 secs Computing kpt #: 265 total cpu time spent up to now is 217.0 secs Computing kpt #: 266 total cpu time spent up to now is 217.7 secs Computing kpt #: 267 total cpu time spent up to now is 218.4 secs Computing kpt #: 268 total cpu time spent up to now is 219.1 secs Computing kpt #: 269 total cpu time spent up to now is 219.8 secs Computing kpt #: 270 total cpu time spent up to now is 220.6 secs Computing kpt #: 271 total cpu time spent up to now is 221.3 secs Computing kpt #: 272 total cpu time spent up to now is 222.1 secs Computing kpt #: 273 total cpu time spent up to now is 222.8 secs Computing kpt #: 274 total cpu time spent up to now is 223.6 secs Computing kpt #: 275 total cpu time spent up to now is 224.3 secs Computing kpt #: 276 total cpu time spent up to now is 225.0 secs Computing kpt #: 277 total cpu time spent up to now is 225.7 secs Computing kpt #: 278 total cpu time spent up to now is 226.4 secs Computing kpt #: 279 total cpu time spent up to now is 227.1 secs Computing kpt #: 280 total cpu time spent up to now is 227.8 secs Computing kpt #: 281 total cpu time spent up to now is 228.5 secs Computing kpt #: 282 total cpu time spent up to now is 229.1 secs Computing kpt #: 283 total cpu time spent up to now is 229.8 secs Computing kpt #: 284 total cpu time spent up to now is 230.4 secs Computing kpt #: 285 total cpu time spent up to now is 231.0 secs Computing kpt #: 286 total cpu time spent up to now is 231.6 secs Computing kpt #: 287 total cpu time spent up to now is 232.2 secs Computing kpt #: 288 total cpu time spent up to now is 232.7 secs Computing kpt #: 289 total cpu time spent up to now is 233.3 secs Computing kpt #: 290 total cpu time spent up to now is 233.9 secs Computing kpt #: 291 total cpu time spent up to now is 234.5 secs Computing kpt #: 292 total cpu time spent up to now is 235.1 secs Computing kpt #: 293 total cpu time spent up to now is 235.6 secs ethr = 2.08E-08, avg # of iterations = 32.8 total cpu time spent up to now is 235.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3131 PWs) bands (ev): -11.4738 -11.4738 -9.0902 -9.0902 -8.8118 -8.8118 -8.8092 -8.8092 -8.4939 -8.4939 -8.4931 -8.4931 0.8876 0.8876 1.8998 1.8998 2.2415 2.2415 2.2433 2.2433 3.3845 3.3845 3.4578 3.4578 3.4661 3.4661 4.4833 4.4833 4.8688 4.8688 6.4067 6.4067 6.4076 6.4076 6.5283 6.5283 6.5325 6.5325 7.3445 7.3445 7.3546 7.3546 7.7964 7.7964 7.8233 7.8233 7.8746 7.8746 14.2234 14.2234 17.1103 17.1103 18.7884 18.7884 19.5011 19.5011 19.5181 19.5181 k = 0.0122-0.0084-0.0058 ( 3121 PWs) bands (ev): -11.4730 -11.4730 -9.0903 -9.0903 -8.8123 -8.8123 -8.8097 -8.8097 -8.4942 -8.4942 -8.4932 -8.4932 0.8885 0.8885 1.8946 1.8946 2.2412 2.2412 2.2499 2.2499 3.3537 3.3537 3.4602 3.4602 3.4949 3.4949 4.4872 4.4872 4.8708 4.8708 6.4006 6.4006 6.4072 6.4072 6.5287 6.5287 6.5352 6.5352 7.3432 7.3432 7.3532 7.3532 7.7950 7.7950 7.8219 7.8219 7.8740 7.8740 14.2272 14.2272 17.1133 17.1133 18.7830 18.7830 19.5026 19.5026 19.5213 19.5213 k = 0.0244-0.0169-0.0115 ( 3113 PWs) bands (ev): -11.4706 -11.4706 -9.0907 -9.0907 -8.8141 -8.8141 -8.8107 -8.8107 -8.4952 -8.4952 -8.4935 -8.4935 0.8912 0.8912 1.8802 1.8802 2.2381 2.2381 2.2709 2.2709 3.3029 3.3029 3.4566 3.4566 3.5504 3.5504 4.4989 4.4989 4.8767 4.8767 6.3831 6.3831 6.4073 6.4073 6.5265 6.5265 6.5448 6.5448 7.3391 7.3391 7.3491 7.3491 7.7902 7.7902 7.8185 7.8185 7.8723 7.8723 14.2386 14.2386 17.1223 17.1223 18.7673 18.7673 19.5009 19.5009 19.5359 19.5359 k = 0.0366-0.0253-0.0173 ( 3111 PWs) bands (ev): -11.4667 -11.4667 -9.0914 -9.0914 -8.8175 -8.8175 -8.8120 -8.8120 -8.4972 -8.4972 -8.4936 -8.4936 0.8958 0.8958 1.8595 1.8595 2.2328 2.2328 2.3027 2.3027 3.2505 3.2505 3.4506 3.4506 3.6111 3.6111 4.5181 4.5181 4.8866 4.8866 6.3581 6.3581 6.4074 6.4074 6.5219 6.5219 6.5572 6.5572 7.3321 7.3321 7.3423 7.3423 7.7801 7.7801 7.8147 7.8147 7.8698 7.8698 14.2574 14.2574 17.1374 17.1374 18.7431 18.7431 19.4937 19.4937 19.5615 19.5615 k = 0.0488-0.0338-0.0231 ( 3104 PWs) bands (ev): -11.4612 -11.4612 -9.0924 -9.0924 -8.8225 -8.8225 -8.8134 -8.8134 -8.4999 -8.4999 -8.4938 -8.4938 0.9021 0.9021 1.8351 1.8351 2.2254 2.2254 2.3424 2.3424 3.1990 3.1990 3.4428 3.4428 3.6743 3.6743 4.5442 4.5442 4.9001 4.9001 6.3281 6.3281 6.4075 6.4075 6.5154 6.5154 6.5699 6.5699 7.3222 7.3222 7.3330 7.3330 7.7637 7.7637 7.8116 7.8116 7.8669 7.8669 14.2835 14.2835 17.1583 17.1583 18.7124 18.7124 19.4827 19.4827 19.5925 19.5925 k = 0.0610-0.0422-0.0289 ( 3100 PWs) bands (ev): -11.4541 -11.4541 -9.0940 -9.0940 -8.8288 -8.8288 -8.8152 -8.8152 -8.5035 -8.5035 -8.4940 -8.4940 0.9102 0.9102 1.8093 1.8093 2.2161 2.2161 2.3878 2.3878 3.1491 3.1491 3.4338 3.4338 3.7395 3.7395 4.5768 4.5768 4.9171 4.9171 6.2942 6.2942 6.4073 6.4073 6.5069 6.5069 6.5817 6.5817 7.3096 7.3096 7.3208 7.3208 7.7416 7.7416 7.8091 7.8091 7.8636 7.8636 14.3167 14.3167 17.1850 17.1850 18.6773 18.6773 19.4684 19.4684 19.6223 19.6224 k = 0.0732-0.0506-0.0346 ( 3090 PWs) bands (ev): -11.4454 -11.4454 -9.0963 -9.0963 -8.8362 -8.8362 -8.8173 -8.8173 -8.5078 -8.5078 -8.4943 -8.4943 0.9200 0.9200 1.7833 1.7833 2.2048 2.2048 2.4375 2.4375 3.1010 3.1010 3.4244 3.4244 3.8063 3.8063 4.6151 4.6151 4.9373 4.9373 6.2573 6.2573 6.4068 6.4068 6.4964 6.4964 6.5920 6.5920 7.2947 7.2947 7.3050 7.3050 7.7151 7.7151 7.8066 7.8066 7.8600 7.8600 14.3567 14.3567 17.2173 17.2173 18.6392 18.6392 19.4510 19.4510 19.5927 19.5927 k = 0.0854-0.0591-0.0404 ( 3091 PWs) bands (ev): -11.4352 -11.4352 -9.0994 -9.0994 -8.8444 -8.8444 -8.8196 -8.8196 -8.5129 -8.5129 -8.4948 -8.4948 0.9314 0.9314 1.7581 1.7581 2.1916 2.1916 2.4904 2.4904 3.0550 3.0550 3.4152 3.4152 3.8747 3.8747 4.6586 4.6586 4.9604 4.9604 6.2178 6.2178 6.4055 6.4055 6.4843 6.4843 6.6004 6.6004 7.2779 7.2779 7.2851 7.2851 7.6856 7.6856 7.8039 7.8039 7.8560 7.8560 14.4032 14.4032 17.2549 17.2549 18.5995 18.5995 19.4307 19.4307 19.5553 19.5553 k = 0.0976-0.0675-0.0462 ( 3095 PWs) bands (ev): -11.4234 -11.4234 -9.1037 -9.1037 -8.8532 -8.8532 -8.8222 -8.8222 -8.5186 -8.5186 -8.4954 -8.4954 0.9445 0.9445 1.7343 1.7343 2.1767 2.1767 2.5456 2.5456 3.0112 3.0112 3.4068 3.4068 3.9444 3.9444 4.7065 4.7065 4.9859 4.9859 6.1761 6.1761 6.4023 6.4023 6.4712 6.4712 6.6068 6.6068 7.2573 7.2573 7.2624 7.2624 7.6546 7.6546 7.8006 7.8006 7.8516 7.8516 14.4558 14.4558 17.2978 17.2978 18.5588 18.5588 19.4076 19.4076 19.5139 19.5139 k = 0.1098-0.0760-0.0520 ( 3099 PWs) bands (ev): -11.4101 -11.4101 -9.1094 -9.1094 -8.8622 -8.8622 -8.8250 -8.8250 -8.5250 -8.5250 -8.4961 -8.4961 0.9590 0.9590 1.7124 1.7124 2.1601 2.1601 2.6027 2.6027 2.9698 2.9698 3.4001 3.4001 4.0155 4.0155 4.7585 4.7585 5.0134 5.0134 6.1326 6.1326 6.3956 6.3956 6.4587 6.4587 6.6112 6.6112 7.2261 7.2261 7.2431 7.2431 7.6236 7.6236 7.7967 7.7967 7.8466 7.8466 14.5141 14.5141 17.3456 17.3456 18.5179 18.5179 19.3820 19.3820 19.4687 19.4687 k = 0.1220-0.0844-0.0577 ( 3099 PWs) bands (ev): -11.3952 -11.3952 -9.1170 -9.1170 -8.8710 -8.8710 -8.8280 -8.8280 -8.5321 -8.5321 -8.4971 -8.4971 0.9749 0.9749 1.6925 1.6925 2.1419 2.1419 2.6609 2.6609 2.9311 2.9311 3.3955 3.3955 4.0879 4.0879 4.8138 4.8138 5.0423 5.0423 6.0877 6.0877 6.3830 6.3830 6.4491 6.4491 6.6134 6.6134 7.1867 7.1867 7.2246 7.2246 7.5940 7.5940 7.7920 7.7920 7.8411 7.8411 14.5779 14.5779 17.3980 17.3980 18.4769 18.4769 19.3540 19.3540 19.4202 19.4202 k = 0.1341-0.0929-0.0635 ( 3099 PWs) bands (ev): -11.3788 -11.3788 -9.1267 -9.1267 -8.8792 -8.8792 -8.8312 -8.8312 -8.5397 -8.5397 -8.4982 -8.4982 0.9919 0.9919 1.6751 1.6751 2.1221 2.1221 2.7198 2.7198 2.8950 2.8950 3.3937 3.3937 4.1615 4.1615 4.8721 4.8721 5.0720 5.0720 6.0418 6.0418 6.3631 6.3631 6.4434 6.4434 6.6136 6.6136 7.1394 7.1394 7.2065 7.2065 7.5666 7.5666 7.7865 7.7865 7.8351 7.8351 14.6466 14.6466 17.4547 17.4547 18.4362 18.4362 19.3236 19.3236 19.3685 19.3685 k = 0.1463-0.1013-0.0693 ( 3099 PWs) bands (ev): -11.3610 -11.3610 -9.1389 -9.1389 -8.8865 -8.8865 -8.8345 -8.8345 -8.5478 -8.5478 -8.4997 -8.4997 1.0100 1.0100 1.6604 1.6604 2.1007 2.1007 2.7788 2.7788 2.8618 2.8618 3.3955 3.3955 4.2361 4.2361 4.9328 4.9328 5.1017 5.1017 5.9957 5.9957 6.3367 6.3367 6.4410 6.4410 6.6117 6.6117 7.0842 7.0842 7.1891 7.1891 7.5419 7.5419 7.7802 7.7802 7.8284 7.8284 14.7199 14.7199 17.5155 17.5155 18.3958 18.3958 19.2909 19.2909 19.3139 19.3139 k = 0.1585-0.1097-0.0750 ( 3097 PWs) bands (ev): -11.3416 -11.3416 -9.1540 -9.1540 -8.8924 -8.8924 -8.8378 -8.8378 -8.5565 -8.5565 -8.5014 -8.5014 1.0289 1.0289 1.6485 1.6485 2.0780 2.0780 2.8315 2.8315 2.8374 2.8374 3.4014 3.4014 4.3117 4.3117 4.9955 4.9955 5.1304 5.1304 5.9500 5.9500 6.3051 6.3051 6.4406 6.4406 6.6078 6.6078 7.0217 7.0217 7.1727 7.1727 7.5199 7.5199 7.7730 7.7730 7.8211 7.8211 14.7974 14.7974 17.5800 17.5800 18.3556 18.3556 19.2529 19.2529 19.2599 19.2599 k = 0.1707-0.1182-0.0808 ( 3100 PWs) bands (ev): -11.3208 -11.3208 -9.1720 -9.1720 -8.8969 -8.8969 -8.8411 -8.8411 -8.5656 -8.5656 -8.5034 -8.5034 1.0482 1.0482 1.6399 1.6399 2.0539 2.0539 2.8045 2.8045 2.8946 2.8946 3.4120 3.4120 4.3883 4.3883 5.0598 5.0598 5.1569 5.1569 5.9059 5.9059 6.2694 6.2694 6.4413 6.4413 6.6018 6.6018 6.9524 6.9524 7.1574 7.1574 7.5004 7.5004 7.7650 7.7650 7.8133 7.8133 14.8786 14.8786 17.6477 17.6477 18.3157 18.3157 19.1953 19.1953 19.2210 19.2210 k = 0.1829-0.1266-0.0866 ( 3101 PWs) bands (ev): -11.2985 -11.2985 -9.1931 -9.1931 -8.8997 -8.8997 -8.8444 -8.8444 -8.5751 -8.5751 -8.5057 -8.5057 1.0677 1.0677 1.6348 1.6348 2.0285 2.0285 2.7805 2.7805 2.9500 2.9500 3.4282 3.4282 4.4656 4.4656 5.1252 5.1252 5.1796 5.1796 5.8647 5.8647 6.2302 6.2302 6.4426 6.4426 6.5938 6.5938 6.8774 6.8774 7.1433 7.1433 7.4828 7.4828 7.7562 7.7562 7.8049 7.8049 14.9633 14.9633 17.7182 17.7182 18.2760 18.2760 19.1333 19.1333 19.1825 19.1825 k = 0.1951-0.1351-0.0924 ( 3100 PWs) bands (ev): -11.2747 -11.2747 -9.2171 -9.2171 -8.9010 -8.9010 -8.8477 -8.8477 -8.5850 -8.5850 -8.5084 -8.5084 1.0871 1.0871 1.6334 1.6334 2.0020 2.0020 2.7598 2.7598 3.0030 3.0030 3.4504 3.4504 4.5435 4.5435 5.1904 5.1904 5.1973 5.1973 5.8282 5.8282 6.1884 6.1884 6.4443 6.4443 6.5839 6.5839 6.7975 6.7975 7.1304 7.1304 7.4667 7.4667 7.7467 7.7467 7.7959 7.7959 15.0510 15.0510 17.7910 17.7910 18.2364 18.2364 19.0694 19.0694 19.1424 19.1424 k = 0.2073-0.1435-0.0981 ( 3097 PWs) bands (ev): -11.2496 -11.2496 -9.2439 -9.2439 -8.9007 -8.9007 -8.8509 -8.8509 -8.5952 -8.5952 -8.5114 -8.5114 1.1059 1.1059 1.6362 1.6362 1.9744 1.9744 2.7422 2.7422 3.0530 3.0530 3.4789 3.4789 4.6221 4.6221 5.2051 5.2051 5.2576 5.2576 5.7986 5.7986 6.1447 6.1447 6.4464 6.4464 6.5721 6.5721 6.7136 6.7136 7.1185 7.1185 7.4517 7.4517 7.7364 7.7364 7.7864 7.7864 15.1414 15.1414 17.8656 17.8656 18.1968 18.1968 19.0040 19.0040 19.1007 19.1007 k = 0.2195-0.1519-0.1039 ( 3099 PWs) bands (ev): -11.2230 -11.2230 -9.2733 -9.2733 -8.8990 -8.8990 -8.8539 -8.8539 -8.6057 -8.6057 -8.5149 -8.5149 1.1237 1.1237 1.6434 1.6434 1.9459 1.9459 2.7278 2.7278 3.1000 3.1000 3.5139 3.5139 4.7010 4.7010 5.2038 5.2038 5.3230 5.3230 5.7776 5.7776 6.0999 6.0999 6.4485 6.4485 6.5584 6.5584 6.6265 6.6265 7.1076 7.1076 7.4375 7.4375 7.7256 7.7256 7.7764 7.7764 15.2342 15.2342 17.9412 17.9412 18.1572 18.1572 18.9380 18.9380 19.0574 19.0574 k = 0.2317-0.1604-0.1097 ( 3103 PWs) bands (ev): -11.1951 -11.1951 -9.3052 -9.3052 -8.8962 -8.8962 -8.8568 -8.8568 -8.6164 -8.6164 -8.5187 -8.5187 1.1402 1.1402 1.6552 1.6552 1.9166 1.9166 2.7164 2.7164 3.1441 3.1441 3.5549 3.5549 4.7801 4.7801 5.1908 5.1908 5.3868 5.3868 5.7666 5.7666 6.0554 6.0554 6.4507 6.4507 6.5364 6.5364 6.5437 6.5437 7.0973 7.0973 7.4236 7.4236 7.7142 7.7142 7.7659 7.7659 15.3290 15.3290 18.0166 18.0166 18.1177 18.1177 18.8722 18.8722 19.0126 19.0126 k = 0.2439-0.1688-0.1155 ( 3105 PWs) bands (ev): -11.1658 -11.1658 -9.3392 -9.3392 -8.8922 -8.8922 -8.8595 -8.8595 -8.6272 -8.6272 -8.5229 -8.5229 1.1552 1.1552 1.6720 1.6720 1.8868 1.8868 2.7079 2.7079 3.1859 3.1859 3.6010 3.6010 4.8593 4.8593 5.1661 5.1661 5.4475 5.4475 5.7651 5.7651 6.0131 6.0131 6.4434 6.4434 6.4551 6.4551 6.5262 6.5262 7.0875 7.0875 7.4100 7.4100 7.7024 7.7024 7.7551 7.7551 15.4256 15.4256 18.0779 18.0779 18.0906 18.0906 18.8081 18.8081 18.9666 18.9666 k = 0.2561-0.1773-0.1212 ( 3106 PWs) bands (ev): -11.1352 -11.1352 -9.3753 -9.3753 -8.8873 -8.8873 -8.8619 -8.8619 -8.6383 -8.6383 -8.5276 -8.5276 1.1686 1.1686 1.6936 1.6936 1.8566 1.8566 2.7022 2.7022 3.2263 3.2263 3.6513 3.6513 4.9383 4.9383 5.1310 5.1310 5.5025 5.5025 5.7716 5.7716 5.9756 5.9756 6.3530 6.3530 6.4558 6.4558 6.5077 6.5077 7.0779 7.0779 7.3963 7.3963 7.6904 7.6904 7.7440 7.7440 15.5237 15.5237 18.0386 18.0386 18.1599 18.1599 18.7481 18.7481 18.9198 18.9198 k = 0.2683-0.1857-0.1270 ( 3099 PWs) bands (ev): -11.1033 -11.1033 -9.4132 -9.4132 -8.8816 -8.8816 -8.8641 -8.8641 -8.6494 -8.6494 -8.5327 -8.5327 1.1803 1.1803 1.7199 1.7199 1.8260 1.8260 2.6990 2.6990 3.2660 3.2660 3.7045 3.7045 5.0165 5.0165 5.0880 5.0880 5.5478 5.5478 5.7831 5.7831 5.9476 5.9476 6.2615 6.2615 6.4579 6.4579 6.4880 6.4880 7.0681 7.0681 7.3824 7.3824 7.6782 7.6782 7.7327 7.7327 15.6230 15.6230 17.9994 17.9994 18.2202 18.2202 18.6963 18.6963 18.8728 18.8728 k = 0.2805-0.1942-0.1328 ( 3101 PWs) bands (ev): -11.0702 -11.0702 -9.4527 -9.4527 -8.8751 -8.8751 -8.8659 -8.8659 -8.6605 -8.6605 -8.5382 -8.5382 1.1905 1.1905 1.7509 1.7509 1.7954 1.7954 2.6981 2.6981 3.3060 3.3060 3.7594 3.7594 5.0351 5.0351 5.0974 5.0974 5.5775 5.5775 5.7955 5.7955 5.9353 5.9353 6.1726 6.1726 6.4595 6.4595 6.4677 6.4677 7.0580 7.0580 7.3682 7.3682 7.6660 7.6660 7.7213 7.7213 15.7233 15.7233 17.9605 17.9605 18.2628 18.2628 18.6591 18.6591 18.8279 18.8279 k = 0.2927-0.2026-0.1385 ( 3099 PWs) bands (ev): -11.0358 -11.0358 -9.4936 -9.4936 -8.8683 -8.8683 -8.8671 -8.8671 -8.6717 -8.6717 -8.5441 -8.5441 1.1993 1.1993 1.7648 1.7648 1.7861 1.7861 2.6992 2.6992 3.3468 3.3468 3.8149 3.8149 4.9811 4.9811 5.1740 5.1740 5.5868 5.5868 5.8030 5.8030 5.9437 5.9437 6.0909 6.0909 6.4453 6.4453 6.4625 6.4625 7.0472 7.0472 7.3535 7.3535 7.6541 7.6541 7.7098 7.7098 15.8244 15.8244 17.9223 17.9223 18.2775 18.2775 18.6407 18.6407 18.7911 18.7911 k = 0.3049-0.2110-0.1443 ( 3096 PWs) bands (ev): -11.0002 -11.0002 -9.5360 -9.5360 -8.8688 -8.8688 -8.8602 -8.8602 -8.6828 -8.6828 -8.5504 -8.5504 1.2070 1.2070 1.7345 1.7345 1.8251 1.8251 2.7021 2.7021 3.3890 3.3890 3.8700 3.8700 4.9231 4.9231 5.2498 5.2498 5.5771 5.5771 5.7947 5.7947 5.9721 5.9721 6.0261 6.0261 6.4237 6.4237 6.4643 6.4643 7.0354 7.0354 7.3381 7.3381 7.6425 7.6425 7.6983 7.6983 15.9260 15.9260 17.8848 17.8848 18.2612 18.2612 18.6275 18.6275 18.7792 18.7792 k = 0.3171-0.2195-0.1501 ( 3092 PWs) bands (ev): -10.9635 -10.9635 -9.5795 -9.5795 -8.8697 -8.8697 -8.8520 -8.8520 -8.6939 -8.6939 -8.5572 -8.5572 1.2139 1.2139 1.7044 1.7044 1.8675 1.8675 2.7064 2.7064 3.4331 3.4331 3.9237 3.9237 4.8631 4.8631 5.3232 5.3232 5.5549 5.5549 5.7578 5.7578 5.9903 5.9903 6.0147 6.0147 6.4024 6.4024 6.4660 6.4660 7.0224 7.0224 7.3219 7.3219 7.6315 7.6315 7.6870 7.6870 16.0279 16.0279 17.8485 17.8485 18.2226 18.2226 18.5957 18.5957 18.8076 18.8076 k = 0.3293-0.2279-0.1559 ( 3094 PWs) bands (ev): -10.9256 -10.9256 -9.6241 -9.6241 -8.8701 -8.8701 -8.8433 -8.8433 -8.7048 -8.7048 -8.5643 -8.5643 1.2202 1.2202 1.6749 1.6749 1.9129 1.9129 2.7117 2.7117 3.4793 3.4793 3.9750 3.9750 4.8022 4.8022 5.3913 5.3913 5.5270 5.5270 5.6966 5.6966 5.9811 5.9811 6.0646 6.0646 6.3825 6.3825 6.4676 6.4676 7.0080 7.0080 7.3048 7.3048 7.6211 7.6211 7.6759 7.6759 16.1299 16.1299 17.8135 17.8135 18.1719 18.1719 18.5474 18.5474 18.8636 18.8636 k = 0.3415-0.2364-0.1616 ( 3092 PWs) bands (ev): -10.8866 -10.8866 -9.6697 -9.6697 -8.8702 -8.8702 -8.8342 -8.8342 -8.7156 -8.7156 -8.5718 -8.5718 1.2263 1.2263 1.6459 1.6459 1.9609 1.9609 2.7177 2.7177 3.5278 3.5278 4.0231 4.0231 4.7411 4.7411 5.4427 5.4427 5.4981 5.4981 5.6353 5.6353 5.9834 5.9834 6.1181 6.1181 6.3651 6.3651 6.4692 6.4692 6.9921 6.9921 7.2866 7.2866 7.6117 7.6117 7.6652 7.6652 16.2319 16.2319 17.7800 17.7800 18.1160 18.1160 18.4911 18.4911 18.9324 18.9324 k = 0.3537-0.2448-0.1674 ( 3090 PWs) bands (ev): -10.8466 -10.8466 -9.7161 -9.7161 -8.8699 -8.8699 -8.8248 -8.8248 -8.7262 -8.7262 -8.5797 -8.5797 1.2323 1.2323 1.6175 1.6175 2.0109 2.0109 2.7237 2.7237 3.5787 3.5787 4.0671 4.0671 4.6808 4.6808 5.4389 5.4389 5.4714 5.4714 5.6211 5.6211 5.9870 5.9870 6.1723 6.1723 6.3516 6.3516 6.4709 6.4709 6.9745 6.9745 7.2673 7.2673 7.6031 7.6031 7.6549 7.6549 16.3336 16.3336 17.7485 17.7485 18.0583 18.0583 18.4303 18.4303 19.0065 19.0065 k = 0.3659-0.2532-0.1732 ( 3091 PWs) bands (ev): -10.8056 -10.8056 -9.7633 -9.7633 -8.8691 -8.8691 -8.8151 -8.8151 -8.7366 -8.7366 -8.5880 -8.5880 1.2385 1.2385 1.5899 1.5899 2.0627 2.0627 2.7295 2.7295 3.6322 3.6322 4.1063 4.1063 4.6218 4.6218 5.3734 5.3734 5.4487 5.4487 5.6642 5.6642 5.9870 5.9870 6.2250 6.2250 6.3433 6.3433 6.4732 6.4732 6.9554 6.9554 7.2467 7.2467 7.5956 7.5956 7.6450 7.6450 16.4349 16.4349 17.7192 17.7192 18.0009 18.0009 18.3663 18.3663 19.0827 19.0827 k = 0.3780-0.2617-0.1790 ( 3085 PWs) bands (ev): -10.7636 -10.7636 -9.8110 -9.8110 -8.8679 -8.8679 -8.8051 -8.8051 -8.7468 -8.7468 -8.5966 -8.5966 1.2450 1.2450 1.5632 1.5632 2.1157 2.1157 2.7343 2.7343 3.6883 3.6883 4.1399 4.1399 4.5650 4.5650 5.2877 5.2877 5.4318 5.4318 5.7238 5.7238 5.9812 5.9812 6.2742 6.2742 6.3411 6.3411 6.4769 6.4769 6.9349 6.9349 7.2248 7.2248 7.5892 7.5892 7.6358 7.6358 16.5357 16.5357 17.6923 17.6923 17.9450 17.9450 18.2997 18.2997 19.1590 19.1590 k = 0.3902-0.2701-0.1847 ( 3087 PWs) bands (ev): -10.7207 -10.7207 -9.8593 -9.8593 -8.8662 -8.8662 -8.7949 -8.7949 -8.7566 -8.7566 -8.6056 -8.6056 1.2520 1.2520 1.5373 1.5373 2.1695 2.1695 2.7376 2.7376 3.7469 3.7469 4.1677 4.1677 4.5110 4.5110 5.1966 5.1966 5.4217 5.4217 5.7845 5.7845 5.9704 5.9704 6.3171 6.3171 6.3450 6.3450 6.4836 6.4836 6.9136 6.9136 7.2015 7.2015 7.5839 7.5839 7.6271 7.6271 16.6358 16.6358 17.6683 17.6683 17.8913 17.8913 18.2309 18.2309 19.2341 19.2341 k = 0.4024-0.2786-0.1905 ( 3085 PWs) bands (ev): -10.6770 -10.6770 -9.9080 -9.9080 -8.8641 -8.8641 -8.7846 -8.7846 -8.7661 -8.7661 -8.6149 -8.6149 1.2596 1.2596 1.5124 1.5124 2.2236 2.2236 2.7387 2.7387 3.8082 3.8082 4.1894 4.1894 4.4605 4.4605 5.1039 5.1039 5.4190 5.4190 5.8375 5.8375 5.9601 5.9601 6.3501 6.3501 6.3543 6.3543 6.4955 6.4955 6.8921 6.8921 7.1767 7.1767 7.5797 7.5797 7.6191 7.6191 16.7349 16.7349 17.6474 17.6474 17.8405 17.8405 18.1601 18.1601 19.3070 19.3070 k = 0.4146-0.2870-0.1963 ( 3089 PWs) bands (ev): -10.6324 -10.6324 -9.9571 -9.9571 -8.8614 -8.8614 -8.7772 -8.7772 -8.7721 -8.7721 -8.6244 -8.6244 1.2679 1.2679 1.4885 1.4885 2.2776 2.2776 2.7371 2.7371 3.8719 3.8719 4.2055 4.2055 4.4140 4.4140 5.0112 5.0112 5.4240 5.4240 5.8635 5.8635 5.9694 5.9694 6.3674 6.3674 6.3707 6.3707 6.5138 6.5138 6.8718 6.8718 7.1503 7.1503 7.5765 7.5765 7.6118 7.6118 16.8330 16.8330 17.6299 17.6299 17.7928 17.7928 18.0875 18.0875 19.3770 19.3770 k = 0.4268-0.2955-0.2020 ( 3094 PWs) bands (ev): -10.5871 -10.5871 -10.0064 -10.0064 -8.8584 -8.8584 -8.7848 -8.7848 -8.7626 -8.7626 -8.6342 -8.6342 1.2769 1.2769 1.4656 1.4656 2.3310 2.3310 2.7321 2.7321 3.9380 3.9380 4.2167 4.2167 4.3722 4.3722 4.9191 4.9191 5.4364 5.4364 5.8514 5.8514 6.0100 6.0100 6.3786 6.3786 6.3840 6.3840 6.5357 6.5357 6.8548 6.8548 7.1225 7.1225 7.5744 7.5744 7.6051 7.6051 16.9299 16.9299 17.6160 17.6160 17.7484 17.7484 18.0135 18.0135 19.4434 19.4434 k = 0.4390-0.3039-0.2078 ( 3095 PWs) bands (ev): -10.5411 -10.5411 -10.0558 -10.0558 -8.8548 -8.8548 -8.7932 -8.7932 -8.7519 -8.7519 -8.6443 -8.6443 1.2869 1.2869 1.4438 1.4438 2.3832 2.3832 2.7230 2.7230 4.0062 4.0062 4.2241 4.2241 4.3356 4.3356 4.8280 4.8280 5.4557 5.4557 5.8219 5.8219 6.0616 6.0616 6.3777 6.3777 6.4024 6.4024 6.5549 6.5549 6.8442 6.8442 7.0932 7.0932 7.5731 7.5731 7.5990 7.5990 17.0253 17.0253 17.6063 17.6063 17.7070 17.7070 17.9385 17.9385 19.5057 19.5057 k = 0.4512-0.3123-0.2136 ( 3094 PWs) bands (ev): -10.4944 -10.4944 -10.1053 -10.1053 -8.8507 -8.8507 -8.8013 -8.8013 -8.7410 -8.7410 -8.6545 -8.6545 1.2978 1.2978 1.4232 1.4232 2.4337 2.4337 2.7095 2.7095 4.0759 4.0759 4.2297 4.2297 4.3044 4.3044 4.7383 4.7383 5.4810 5.4810 5.7858 5.7858 6.1139 6.1139 6.3701 6.3701 6.4225 6.4225 6.5654 6.5654 6.8433 6.8433 7.0626 7.0626 7.5727 7.5727 7.5936 7.5936 17.1191 17.1191 17.6010 17.6010 17.6679 17.6679 17.8636 17.8636 19.5638 19.5638 k = 0.4634-0.3208-0.2194 ( 3093 PWs) bands (ev): -10.4471 -10.4471 -10.1548 -10.1548 -8.8462 -8.8462 -8.8091 -8.8091 -8.7300 -8.7300 -8.6650 -8.6650 1.3097 1.3097 1.4036 1.4036 2.4818 2.4818 2.6912 2.6912 4.1447 4.1447 4.2372 4.2372 4.2787 4.2787 4.6502 4.6502 5.5114 5.5114 5.7465 5.7465 6.1636 6.1636 6.3570 6.3570 6.4439 6.4439 6.5643 6.5643 6.8538 6.8538 7.0308 7.0308 7.5730 7.5730 7.5889 7.5889 17.2107 17.2107 17.6005 17.6005 17.6292 17.6292 17.7908 17.7908 19.6175 19.6175 k = 0.4756-0.3292-0.2251 ( 3092 PWs) bands (ev): -10.3993 -10.3993 -10.2042 -10.2042 -8.8411 -8.8411 -8.8164 -8.8164 -8.7190 -8.7190 -8.6756 -8.6756 1.3226 1.3226 1.3851 1.3851 2.5270 2.5270 2.6678 2.6678 4.1992 4.1992 4.2583 4.2583 4.2614 4.2614 4.5639 4.5639 5.5459 5.5459 5.7057 5.7057 6.2093 6.2093 6.3386 6.3386 6.4662 6.4662 6.5529 6.5529 6.8742 6.8742 6.9982 6.9982 7.5741 7.5741 7.5847 7.5847 17.2997 17.2997 17.5863 17.5863 17.6057 17.6057 17.7249 17.7249 19.6672 19.6672 k = 0.4878-0.3377-0.2309 ( 3090 PWs) bands (ev): -10.3511 -10.3511 -10.2534 -10.2534 -8.8356 -8.8356 -8.8233 -8.8233 -8.7081 -8.7081 -8.6863 -8.6863 1.3366 1.3366 1.3678 1.3678 2.5687 2.5687 2.6395 2.6395 4.2205 4.2205 4.2429 4.2429 4.3223 4.3223 4.4799 4.4799 5.5836 5.5836 5.6643 5.6643 6.2501 6.2501 6.3148 6.3148 6.4893 6.4893 6.5345 6.5345 6.9015 6.9015 6.9651 6.9651 7.5758 7.5758 7.5811 7.5811 17.3849 17.3849 17.5324 17.5324 17.6176 17.6176 17.6730 17.6730 19.7132 19.7132 k = 0.5000-0.3461-0.2367 ( 3086 PWs) bands (ev): -10.3024 -10.3024 -10.3024 -10.3024 -8.8297 -8.8297 -8.8297 -8.8297 -8.6972 -8.6972 -8.6971 -8.6971 1.3516 1.3516 1.3516 1.3516 2.6063 2.6063 2.6063 2.6063 4.2312 4.2312 4.2312 4.2312 4.3987 4.3987 4.3987 4.3987 5.6233 5.6233 5.6233 5.6233 6.2853 6.2853 6.2853 6.2853 6.5126 6.5126 6.5126 6.5126 6.9324 6.9324 6.9324 6.9324 7.5782 7.5782 7.5782 7.5782 17.4639 17.4639 17.4639 17.4639 17.6386 17.6386 17.6386 17.6386 19.7560 19.7560 k = 0.5000-0.3461-0.2367 ( 3086 PWs) bands (ev): -10.3024 -10.3024 -10.3024 -10.3024 -8.8297 -8.8297 -8.8297 -8.8297 -8.6972 -8.6972 -8.6971 -8.6971 1.3516 1.3516 1.3516 1.3516 2.6063 2.6063 2.6063 2.6063 4.2312 4.2312 4.2312 4.2312 4.3987 4.3987 4.3987 4.3987 5.6233 5.6233 5.6233 5.6233 6.2853 6.2853 6.2853 6.2853 6.5126 6.5126 6.5126 6.5126 6.9324 6.9324 6.9324 6.9324 7.5782 7.5782 7.5782 7.5782 17.4639 17.4639 17.4639 17.4639 17.6386 17.6386 17.6386 17.6386 19.7560 19.7560 k = 0.5000-0.3369-0.2501 ( 3090 PWs) bands (ev): -10.3019 -10.3019 -10.3018 -10.3018 -8.8310 -8.8310 -8.8310 -8.8310 -8.6967 -8.6967 -8.6967 -8.6967 1.3534 1.3534 1.3534 1.3534 2.6060 2.6060 2.6062 2.6062 4.2270 4.2270 4.2286 4.2286 4.3989 4.3989 4.4003 4.4003 5.6238 5.6238 5.6239 5.6239 6.2854 6.2854 6.2855 6.2855 6.5129 6.5129 6.5133 6.5133 6.9329 6.9329 6.9330 6.9330 7.5777 7.5777 7.5781 7.5781 17.4632 17.4632 17.4633 17.4633 17.6393 17.6393 17.6394 17.6394 19.7420 19.7423 k = 0.5000-0.3278-0.2635 ( 3092 PWs) bands (ev): -10.3002 -10.3002 -10.3002 -10.3002 -8.8347 -8.8347 -8.8347 -8.8347 -8.6954 -8.6954 -8.6953 -8.6953 1.3587 1.3587 1.3587 1.3587 2.6053 2.6053 2.6057 2.6057 4.2166 4.2166 4.2196 4.2196 4.4005 4.4005 4.4031 4.4031 5.6254 5.6254 5.6257 5.6257 6.2858 6.2858 6.2859 6.2859 6.5145 6.5145 6.5152 6.5152 6.9344 6.9344 6.9345 6.9345 7.5769 7.5769 7.5777 7.5777 17.4611 17.4611 17.4615 17.4615 17.6416 17.6416 17.6417 17.6417 19.7043 19.7047 k = 0.5000-0.3186-0.2769 ( 3094 PWs) bands (ev): -10.2974 -10.2974 -10.2974 -10.2974 -8.8409 -8.8409 -8.8409 -8.8409 -8.6933 -8.6933 -8.6932 -8.6932 1.3674 1.3674 1.3675 1.3675 2.6041 2.6041 2.6047 2.6047 4.2013 4.2013 4.2053 4.2053 4.4025 4.4025 4.4060 4.4060 5.6282 5.6282 5.6286 5.6286 6.2864 6.2864 6.2865 6.2865 6.5171 6.5171 6.5182 6.5182 6.9368 6.9368 6.9370 6.9370 7.5756 7.5756 7.5768 7.5768 17.4578 17.4578 17.4583 17.4583 17.6455 17.6455 17.6457 17.6457 19.6499 19.6503 k = 0.5000-0.3094-0.2903 ( 3098 PWs) bands (ev): -10.2935 -10.2935 -10.2935 -10.2935 -8.8493 -8.8493 -8.8493 -8.8493 -8.6906 -8.6906 -8.6905 -8.6905 1.3796 1.3796 1.3797 1.3797 2.6025 2.6025 2.6033 2.6033 4.1823 4.1823 4.1870 4.1870 4.4038 4.4038 4.4078 4.4078 5.6322 5.6322 5.6328 5.6328 6.2870 6.2870 6.2872 6.2872 6.5206 6.5206 6.5221 6.5221 6.9401 6.9401 6.9404 6.9404 7.5739 7.5739 7.5755 7.5755 17.4531 17.4531 17.4538 17.4538 17.6511 17.6511 17.6513 17.6513 19.5848 19.5851 k = 0.5000-0.3002-0.3038 ( 3098 PWs) bands (ev): -10.2885 -10.2885 -10.2885 -10.2885 -8.8598 -8.8598 -8.8598 -8.8598 -8.6873 -8.6873 -8.6872 -8.6872 1.3952 1.3952 1.3952 1.3952 2.6005 2.6005 2.6015 2.6015 4.1606 4.1606 4.1660 4.1660 4.4033 4.4033 4.4077 4.4077 5.6376 5.6376 5.6384 5.6384 6.2877 6.2877 6.2880 6.2880 6.5249 6.5249 6.5269 6.5269 6.9443 6.9443 6.9446 6.9446 7.5719 7.5719 7.5738 7.5738 17.4473 17.4473 17.4480 17.4480 17.6584 17.6584 17.6587 17.6587 19.5133 19.5134 k = 0.5000-0.2911-0.3172 ( 3094 PWs) bands (ev): -10.2824 -10.2824 -10.2824 -10.2824 -8.8722 -8.8722 -8.8722 -8.8722 -8.6837 -8.6837 -8.6835 -8.6835 1.4140 1.4140 1.4141 1.4141 2.5980 2.5980 2.5992 2.5992 4.1374 4.1374 4.1431 4.1431 4.4005 4.4005 4.4050 4.4050 5.6443 5.6443 5.6453 5.6453 6.2882 6.2882 6.2887 6.2887 6.5299 6.5299 6.5323 6.5323 6.9492 6.9492 6.9496 6.9496 7.5694 7.5694 7.5718 7.5718 17.4403 17.4403 17.4411 17.4411 17.6676 17.6676 17.6679 17.6679 19.4379 19.4380 k = 0.5000-0.2819-0.3306 ( 3094 PWs) bands (ev): -10.2753 -10.2753 -10.2753 -10.2753 -8.8863 -8.8863 -8.8863 -8.8863 -8.6798 -8.6798 -8.6796 -8.6796 1.4360 1.4360 1.4360 1.4360 2.5950 2.5950 2.5964 2.5964 4.1131 4.1131 4.1191 4.1191 4.3948 4.3948 4.3995 4.3995 5.6525 5.6525 5.6535 5.6535 6.2886 6.2886 6.2892 6.2892 6.5353 6.5353 6.5381 6.5381 6.9547 6.9547 6.9552 6.9552 7.5666 7.5666 7.5694 7.5694 17.4323 17.4323 17.4332 17.4332 17.6786 17.6786 17.6789 17.6789 19.3604 19.3605 k = 0.5000-0.2727-0.3440 ( 3098 PWs) bands (ev): -10.2671 -10.2671 -10.2671 -10.2671 -8.9021 -8.9021 -8.9021 -8.9021 -8.6756 -8.6756 -8.6754 -8.6754 1.4609 1.4609 1.4610 1.4610 2.5916 2.5916 2.5931 2.5931 4.0885 4.0885 4.0947 4.0947 4.3863 4.3863 4.3909 4.3909 5.6619 5.6619 5.6631 5.6631 6.2886 6.2886 6.2895 6.2895 6.5410 6.5410 6.5442 6.5442 6.9606 6.9606 6.9612 6.9612 7.5636 7.5636 7.5667 7.5667 17.4235 17.4235 17.4245 17.4245 17.6915 17.6915 17.6918 17.6918 19.2825 19.2825 k = 0.5000-0.2635-0.3574 ( 3086 PWs) bands (ev): -10.2579 -10.2579 -10.2579 -10.2579 -8.9195 -8.9195 -8.9195 -8.9195 -8.6712 -8.6712 -8.6710 -8.6710 1.4887 1.4887 1.4888 1.4888 2.5877 2.5877 2.5894 2.5894 4.0638 4.0638 4.0701 4.0701 4.3750 4.3750 4.3795 4.3795 5.6725 5.6725 5.6738 5.6738 6.2884 6.2884 6.2894 6.2894 6.5469 6.5469 6.5504 6.5504 6.9668 6.9668 6.9675 6.9675 7.5602 7.5602 7.5637 7.5637 17.4142 17.4142 17.4153 17.4153 17.7062 17.7062 17.7065 17.7065 19.2053 19.2053 k = 0.5000-0.2544-0.3708 ( 3088 PWs) bands (ev): -10.2477 -10.2477 -10.2477 -10.2477 -8.9383 -8.9383 -8.9383 -8.9383 -8.6667 -8.6667 -8.6664 -8.6664 1.5191 1.5191 1.5192 1.5192 2.5834 2.5834 2.5852 2.5852 4.0395 4.0395 4.0459 4.0459 4.3612 4.3612 4.3655 4.3655 5.6840 5.6840 5.6855 5.6855 6.2877 6.2877 6.2888 6.2888 6.5526 6.5526 6.5564 6.5564 6.9731 6.9731 6.9739 6.9739 7.5565 7.5565 7.5604 7.5604 17.4046 17.4046 17.4058 17.4058 17.7226 17.7226 17.7229 17.7229 19.1296 19.1296 k = 0.5000-0.2452-0.3842 ( 3092 PWs) bands (ev): -10.2366 -10.2366 -10.2365 -10.2365 -8.9585 -8.9585 -8.9585 -8.9585 -8.6620 -8.6620 -8.6618 -8.6618 1.5519 1.5519 1.5520 1.5520 2.5787 2.5787 2.5807 2.5807 4.0158 4.0158 4.0222 4.0222 4.3451 4.3451 4.3492 4.3492 5.6963 5.6963 5.6978 5.6978 6.2865 6.2865 6.2878 6.2878 6.5581 6.5581 6.5622 6.5622 6.9792 6.9792 6.9801 6.9801 7.5527 7.5527 7.5568 7.5568 17.3952 17.3952 17.3964 17.3964 17.7407 17.7407 17.7410 17.7410 19.0561 19.0561 k = 0.5000-0.2360-0.3977 ( 3090 PWs) bands (ev): -10.2245 -10.2245 -10.2244 -10.2244 -8.9799 -8.9799 -8.9799 -8.9799 -8.6572 -8.6572 -8.6569 -8.6569 1.5868 1.5868 1.5869 1.5869 2.5738 2.5738 2.5759 2.5759 3.9928 3.9928 3.9992 3.9992 4.3273 4.3273 4.3312 4.3312 5.7089 5.7089 5.7106 5.7106 6.2848 6.2848 6.2862 6.2862 6.5634 6.5634 6.5676 6.5676 6.9849 6.9849 6.9860 6.9860 7.5486 7.5486 7.5531 7.5531 17.3861 17.3861 17.3874 17.3874 17.7604 17.7604 17.7606 17.7606 18.9854 18.9854 k = 0.5000-0.2268-0.4111 ( 3092 PWs) bands (ev): -10.2116 -10.2116 -10.2115 -10.2115 -9.0025 -9.0025 -9.0025 -9.0025 -8.6523 -8.6523 -8.6520 -8.6520 1.6235 1.6235 1.6236 1.6236 2.5687 2.5687 2.5709 2.5709 3.9706 3.9706 3.9770 3.9770 4.3083 4.3083 4.3119 4.3119 5.7217 5.7217 5.7234 5.7234 6.2825 6.2825 6.2840 6.2840 6.5682 6.5682 6.5726 6.5726 6.9901 6.9901 6.9913 6.9913 7.5443 7.5443 7.5491 7.5491 17.3779 17.3779 17.3791 17.3791 17.7815 17.7815 17.7817 17.7817 18.9179 18.9179 k = 0.5000-0.2177-0.4245 ( 3088 PWs) bands (ev): -10.1978 -10.1978 -10.1977 -10.1977 -9.0261 -9.0261 -9.0261 -9.0261 -8.6473 -8.6473 -8.6469 -8.6469 1.6616 1.6616 1.6618 1.6618 2.5636 2.5636 2.5659 2.5659 3.9492 3.9492 3.9555 3.9555 4.2888 4.2888 4.2920 4.2920 5.7342 5.7342 5.7360 5.7360 6.2796 6.2796 6.2811 6.2811 6.5727 6.5727 6.5771 6.5771 6.9945 6.9945 6.9959 6.9959 7.5397 7.5397 7.5448 7.5448 17.3707 17.3707 17.3720 17.3720 17.8039 17.8039 17.8041 17.8041 18.8541 18.8541 k = 0.5000-0.2085-0.4379 ( 3090 PWs) bands (ev): -10.1833 -10.1833 -10.1832 -10.1832 -9.0506 -9.0506 -9.0506 -9.0506 -8.6421 -8.6421 -8.6418 -8.6418 1.7008 1.7008 1.7009 1.7009 2.5587 2.5587 2.5612 2.5612 3.9286 3.9286 3.9347 3.9347 4.2693 4.2693 4.2721 4.2721 5.7462 5.7462 5.7481 5.7481 6.2759 6.2759 6.2773 6.2773 6.5768 6.5768 6.5811 6.5811 6.9981 6.9981 6.9996 6.9996 7.5349 7.5349 7.5402 7.5402 17.3651 17.3651 17.3664 17.3664 17.8275 17.8275 17.8277 17.8277 18.7944 18.7944 k = 0.5000-0.1993-0.4513 ( 3090 PWs) bands (ev): -10.1680 -10.1680 -10.1680 -10.1680 -9.0759 -9.0759 -9.0759 -9.0759 -8.6369 -8.6369 -8.6365 -8.6365 1.7405 1.7405 1.7407 1.7407 2.5544 2.5544 2.5569 2.5569 3.9085 3.9085 3.9144 3.9144 4.2506 4.2506 4.2529 4.2529 5.7573 5.7573 5.7592 5.7592 6.2712 6.2712 6.2726 6.2726 6.5804 6.5804 6.5847 6.5847 7.0007 7.0007 7.0023 7.0023 7.5298 7.5298 7.5353 7.5353 17.3613 17.3613 17.3626 17.3626 17.8520 17.8520 17.8522 17.8522 18.7390 18.7390 k = 0.5000-0.1901-0.4647 ( 3090 PWs) bands (ev): -10.1522 -10.1522 -10.1521 -10.1521 -9.1019 -9.1019 -9.1019 -9.1019 -8.6315 -8.6315 -8.6312 -8.6312 1.7802 1.7802 1.7804 1.7804 2.5509 2.5509 2.5535 2.5535 3.8890 3.8890 3.8946 3.8946 4.2332 4.2332 4.2351 4.2351 5.7674 5.7674 5.7693 5.7693 6.2655 6.2655 6.2667 6.2667 6.5838 6.5838 6.5879 6.5879 7.0024 7.0024 7.0041 7.0041 7.5242 7.5242 7.5300 7.5300 17.3597 17.3597 17.3610 17.3610 17.8773 17.8773 17.8774 17.8774 18.6882 18.6882 k = 0.5000-0.1810-0.4781 ( 3076 PWs) bands (ev): -10.1358 -10.1358 -10.1358 -10.1358 -9.1284 -9.1284 -9.1284 -9.1284 -8.6261 -8.6261 -8.6257 -8.6257 1.8194 1.8194 1.8195 1.8195 2.5488 2.5488 2.5514 2.5514 3.8697 3.8697 3.8749 3.8749 4.2179 4.2179 4.2192 4.2192 5.7761 5.7761 5.7779 5.7779 6.2585 6.2585 6.2595 6.2595 6.5869 6.5869 6.5908 6.5908 7.0030 7.0030 7.0048 7.0048 7.5181 7.5181 7.5241 7.5241 17.3606 17.3606 17.3619 17.3619 17.9031 17.9031 17.9032 17.9032 18.6422 18.6422 k = 0.5000-0.1718-0.4916 ( 3080 PWs) bands (ev): -10.1191 -10.1191 -10.1190 -10.1190 -9.1552 -9.1552 -9.1552 -9.1552 -8.6206 -8.6206 -8.6202 -8.6202 1.8572 1.8572 1.8574 1.8574 2.5484 2.5484 2.5510 2.5510 3.8505 3.8505 3.8554 3.8554 4.2051 4.2051 4.2058 4.2058 5.7832 5.7832 5.7851 5.7851 6.2499 6.2499 6.2507 6.2507 6.5898 6.5898 6.5936 6.5936 7.0028 7.0028 7.0047 7.0047 7.5114 7.5114 7.5175 7.5175 17.3644 17.3644 17.3656 17.3656 17.9292 17.9292 17.9293 17.9293 18.6013 18.6013 k = 0.5000-0.1626-0.5050 ( 3080 PWs) bands (ev): -10.1020 -10.1020 -10.1020 -10.1020 -9.1822 -9.1822 -9.1821 -9.1821 -8.6151 -8.6151 -8.6146 -8.6146 1.8930 1.8930 1.8931 1.8931 2.5503 2.5503 2.5528 2.5528 3.8315 3.8315 3.8360 3.8360 4.1952 4.1952 4.1954 4.1954 5.7888 5.7888 5.7905 5.7905 6.2394 6.2394 6.2400 6.2400 6.5928 6.5928 6.5964 6.5964 7.0018 7.0018 7.0037 7.0037 7.5040 7.5040 7.5102 7.5102 17.3712 17.3712 17.3724 17.3724 17.9552 17.9552 17.9553 17.9553 18.5658 18.5658 k = 0.5000-0.1535-0.5184 ( 3074 PWs) bands (ev): -10.0848 -10.0848 -10.0848 -10.0848 -9.2091 -9.2091 -9.2091 -9.2091 -8.6095 -8.6095 -8.6090 -8.6090 1.9260 1.9260 1.9261 1.9261 2.5550 2.5550 2.5575 2.5575 3.8125 3.8125 3.8167 3.8167 4.1882 4.1882 4.1885 4.1885 5.7926 5.7926 5.7942 5.7942 6.2268 6.2268 6.2271 6.2271 6.5960 6.5960 6.5994 6.5994 7.0002 7.0002 7.0020 7.0020 7.4956 7.4956 7.5019 7.5019 17.3813 17.3813 17.3825 17.3825 17.9808 17.9808 17.9808 17.9808 18.5356 18.5356 k = 0.5000-0.1443-0.5318 ( 3074 PWs) bands (ev): -10.0677 -10.0677 -10.0676 -10.0676 -9.2358 -9.2358 -9.2357 -9.2357 -8.6039 -8.6039 -8.6034 -8.6034 1.9555 1.9555 1.9555 1.9555 2.5630 2.5630 2.5654 2.5654 3.7939 3.7939 3.7978 3.7978 4.1843 4.1843 4.1851 4.1851 5.7946 5.7946 5.7961 5.7961 6.2117 6.2117 6.2117 6.2117 6.5994 6.5994 6.6027 6.6027 6.9981 6.9981 6.9999 6.9999 7.4861 7.4861 7.4925 7.4925 17.3950 17.3950 17.3962 17.3962 18.0055 18.0055 18.0055 18.0055 18.5111 18.5111 k = 0.5000-0.1351-0.5452 ( 3076 PWs) bands (ev): -10.0508 -10.0508 -10.0508 -10.0508 -9.2618 -9.2618 -9.2617 -9.2617 -8.5982 -8.5982 -8.5978 -8.5978 1.9808 1.9808 1.9808 1.9808 2.5745 2.5745 2.5769 2.5769 3.7760 3.7760 3.7795 3.7795 4.1838 4.1838 4.1851 4.1851 5.7947 5.7947 5.7960 5.7960 6.1937 6.1937 6.1939 6.1939 6.6032 6.6032 6.6065 6.6065 6.9959 6.9959 6.9976 6.9976 7.4754 7.4754 7.4819 7.4819 17.4124 17.4124 17.4136 17.4136 18.0289 18.0289 18.0290 18.0290 18.4925 18.4925 k = 0.5000-0.1259-0.5586 ( 3076 PWs) bands (ev): -10.0344 -10.0344 -10.0344 -10.0344 -9.2870 -9.2870 -9.2869 -9.2869 -8.5926 -8.5926 -8.5921 -8.5921 2.0016 2.0016 2.0017 2.0017 2.5897 2.5897 2.5919 2.5919 3.7590 3.7590 3.7622 3.7622 4.1865 4.1865 4.1882 4.1882 5.7930 5.7930 5.7941 5.7941 6.1729 6.1729 6.1733 6.1733 6.6074 6.6074 6.6108 6.6108 6.9936 6.9936 6.9951 6.9951 7.4635 7.4635 7.4699 7.4699 17.4337 17.4337 17.4348 17.4348 18.0506 18.0506 18.0506 18.0506 18.4798 18.4798 k = 0.5000-0.1168-0.5720 ( 3078 PWs) bands (ev): -10.0189 -10.0189 -10.0188 -10.0188 -9.3110 -9.3110 -9.3109 -9.3109 -8.5870 -8.5870 -8.5865 -8.5865 2.0178 2.0178 2.0181 2.0181 2.6082 2.6082 2.6103 2.6103 3.7435 3.7435 3.7465 3.7465 4.1922 4.1922 4.1943 4.1943 5.7894 5.7894 5.7903 5.7903 6.1493 6.1493 6.1499 6.1499 6.6121 6.6121 6.6156 6.6156 6.9916 6.9916 6.9929 6.9929 7.4501 7.4501 7.4565 7.4565 17.4588 17.4588 17.4599 17.4599 18.0699 18.0699 18.0700 18.0700 18.4732 18.4732 k = 0.5000-0.1076-0.5855 ( 3086 PWs) bands (ev): -10.0045 -10.0045 -10.0045 -10.0045 -9.3334 -9.3334 -9.3332 -9.3332 -8.5814 -8.5814 -8.5809 -8.5809 2.0297 2.0297 2.0301 2.0301 2.6294 2.6294 2.6314 2.6314 3.7300 3.7300 3.7329 3.7329 4.2007 4.2007 4.2032 4.2032 5.7838 5.7838 5.7844 5.7844 6.1231 6.1231 6.1239 6.1239 6.6172 6.6172 6.6208 6.6208 6.9900 6.9900 6.9909 6.9909 7.4352 7.4352 7.4416 7.4416 17.4879 17.4879 17.4890 17.4890 18.0864 18.0864 18.0865 18.0865 18.4728 18.4728 k = 0.5000-0.0984-0.5989 ( 3088 PWs) bands (ev): -9.9917 -9.9917 -9.9916 -9.9916 -9.3537 -9.3537 -9.3535 -9.3535 -8.5759 -8.5759 -8.5754 -8.5754 2.0377 2.0377 2.0382 2.0382 2.6525 2.6525 2.6544 2.6544 3.7190 3.7190 3.7218 3.7218 4.2117 4.2117 4.2144 4.2144 5.7760 5.7760 5.7763 5.7763 6.0946 6.0946 6.0956 6.0956 6.6226 6.6226 6.6265 6.6265 6.9889 6.9889 6.9896 6.9896 7.4187 7.4187 7.4251 7.4251 17.5211 17.5211 17.5221 17.5221 18.0997 18.0997 18.0998 18.0998 18.4786 18.4786 k = 0.5000-0.0892-0.6123 ( 3080 PWs) bands (ev): -9.9808 -9.9808 -9.9808 -9.9808 -9.3715 -9.3715 -9.3713 -9.3713 -8.5705 -8.5705 -8.5700 -8.5700 2.0424 2.0424 2.0429 2.0429 2.6765 2.6765 2.6783 2.6783 3.7111 3.7111 3.7138 3.7138 4.2248 4.2248 4.2278 4.2278 5.7656 5.7656 5.7657 5.7657 6.0645 6.0645 6.0657 6.0657 6.6282 6.6282 6.6324 6.6324 6.9887 6.9887 6.9888 6.9888 7.4008 7.4008 7.4071 7.4071 17.5581 17.5581 17.5592 17.5592 18.1095 18.1095 18.1096 18.1096 18.4904 18.4904 k = 0.5000-0.0801-0.6257 ( 3080 PWs) bands (ev): -9.9725 -9.9725 -9.9725 -9.9725 -9.3863 -9.3863 -9.3860 -9.3860 -8.5652 -8.5652 -8.5647 -8.5647 2.0444 2.0444 2.0450 2.0450 2.7005 2.7005 2.7021 2.7021 3.7066 3.7066 3.7092 3.7092 4.2397 4.2397 4.2429 4.2429 5.7519 5.7519 5.7526 5.7526 6.0334 6.0334 6.0349 6.0349 6.6339 6.6339 6.6385 6.6385 6.9889 6.9889 6.9892 6.9892 7.3813 7.3813 7.3876 7.3876 17.5989 17.5989 17.6000 17.6000 18.1156 18.1156 18.1156 18.1156 18.5078 18.5078 k = 0.5000-0.0709-0.6391 ( 3078 PWs) bands (ev): -9.9671 -9.9671 -9.9670 -9.9670 -9.3975 -9.3975 -9.3972 -9.3972 -8.5601 -8.5601 -8.5596 -8.5596 2.0443 2.0443 2.0450 2.0450 2.7235 2.7235 2.7250 2.7250 3.7058 3.7058 3.7084 3.7084 4.2561 4.2561 4.2595 4.2595 5.7345 5.7345 5.7358 5.7358 6.0025 6.0025 6.0044 6.0044 6.6396 6.6396 6.6446 6.6446 6.9897 6.9897 6.9906 6.9906 7.3605 7.3605 7.3666 7.3666 17.6435 17.6435 17.6445 17.6445 18.1177 18.1177 18.1178 18.1178 18.5307 18.5307 k = 0.5000-0.0617-0.6525 ( 3078 PWs) bands (ev): -9.9649 -9.9649 -9.9648 -9.9648 -9.4048 -9.4048 -9.4045 -9.4045 -8.5551 -8.5551 -8.5545 -8.5545 2.0427 2.0427 2.0435 2.0435 2.7447 2.7447 2.7462 2.7462 3.7089 3.7089 3.7116 3.7116 4.2736 4.2736 4.2772 4.2772 5.7126 5.7126 5.7145 5.7145 5.9731 5.9731 5.9755 5.9755 6.6453 6.6453 6.6507 6.6507 6.9913 6.9913 6.9927 6.9927 7.3385 7.3385 7.3445 7.3445 17.6914 17.6914 17.6924 17.6924 18.1158 18.1158 18.1160 18.1160 18.5586 18.5586 k = 0.7662 0.0778-0.2942 ( 3078 PWs) bands (ev): -9.9649 -9.9649 -9.9648 -9.9648 -9.4048 -9.4048 -9.4045 -9.4045 -8.5551 -8.5551 -8.5545 -8.5545 2.0427 2.0427 2.0435 2.0435 2.7447 2.7447 2.7462 2.7462 3.7089 3.7089 3.7116 3.7116 4.2736 4.2736 4.2772 4.2772 5.7126 5.7126 5.7145 5.7145 5.9731 5.9731 5.9755 5.9755 6.6453 6.6453 6.6507 6.6507 6.9913 6.9913 6.9927 6.9927 7.3385 7.3385 7.3445 7.3445 17.6914 17.6914 17.6924 17.6924 18.1158 18.1158 18.1160 18.1160 18.5586 18.5586 k = 0.7588 0.0829-0.2810 ( 3082 PWs) bands (ev): -9.9662 -9.9662 -9.9661 -9.9661 -9.4079 -9.4079 -9.4076 -9.4076 -8.5503 -8.5503 -8.5498 -8.5498 2.0402 2.0402 2.0410 2.0410 2.7634 2.7634 2.7648 2.7648 3.7158 3.7158 3.7185 3.7185 4.2916 4.2916 4.2954 4.2954 5.6860 5.6860 5.6886 5.6886 5.9469 5.9469 5.9498 5.9498 6.6509 6.6509 6.6566 6.6566 6.9933 6.9933 6.9954 6.9954 7.3162 7.3162 7.3219 7.3219 17.7413 17.7413 17.7424 17.7424 18.1100 18.1100 18.1103 18.1103 18.5906 18.5906 k = 0.7514 0.0880-0.2679 ( 3082 PWs) bands (ev): -9.9710 -9.9710 -9.9709 -9.9709 -9.4070 -9.4070 -9.4066 -9.4066 -8.5458 -8.5458 -8.5453 -8.5453 2.0371 2.0371 2.0379 2.0379 2.7797 2.7797 2.7809 2.7809 3.7262 3.7262 3.7289 3.7289 4.3101 4.3101 4.3141 4.3141 5.6538 5.6538 5.6571 5.6571 5.9242 5.9242 5.9276 5.9276 6.6565 6.6565 6.6625 6.6625 6.9955 6.9955 6.9983 6.9983 7.2934 7.2934 7.2989 7.2989 17.7937 17.7937 17.7948 17.7948 18.1005 18.1005 18.1010 18.1010 18.6268 18.6268 k = 0.7440 0.0931-0.2547 ( 3082 PWs) bands (ev): -9.9791 -9.9791 -9.9790 -9.9790 -9.4020 -9.4020 -9.4016 -9.4016 -8.5415 -8.5415 -8.5409 -8.5409 2.0337 2.0337 2.0345 2.0345 2.7934 2.7934 2.7946 2.7946 3.7398 3.7398 3.7425 3.7425 4.3288 4.3288 4.3330 4.3330 5.6164 5.6164 5.6203 5.6203 5.9053 5.9053 5.9091 5.9091 6.6622 6.6622 6.6685 6.6685 6.9972 6.9972 7.0008 7.0008 7.2710 7.2710 7.2760 7.2760 17.8476 17.8476 17.8489 17.8489 18.0876 18.0876 18.0884 18.0884 18.6672 18.6672 k = 0.7366 0.0982-0.2416 ( 3082 PWs) bands (ev): -9.9903 -9.9903 -9.9901 -9.9901 -9.3932 -9.3932 -9.3929 -9.3929 -8.5374 -8.5374 -8.5369 -8.5369 2.0303 2.0303 2.0312 2.0312 2.8047 2.8047 2.8058 2.8058 3.7560 3.7560 3.7587 3.7587 4.3474 4.3474 4.3518 4.3518 5.5742 5.5742 5.5787 5.5787 5.8902 5.8902 5.8943 5.8943 6.6683 6.6683 6.6747 6.6747 6.9977 6.9977 7.0021 7.0021 7.2496 7.2496 7.2541 7.2541 17.9009 17.9009 17.9025 17.9025 18.0731 18.0731 18.0744 18.0744 18.7114 18.7115 k = 0.7292 0.1033-0.2285 ( 3082 PWs) bands (ev): -10.0041 -10.0041 -10.0040 -10.0040 -9.3811 -9.3811 -9.3807 -9.3807 -8.5336 -8.5336 -8.5331 -8.5331 2.0271 2.0271 2.0281 2.0281 2.8139 2.8139 2.8149 2.8149 3.7740 3.7740 3.7768 3.7768 4.3657 4.3657 4.3704 4.3704 5.5282 5.5282 5.5333 5.5333 5.8782 5.8782 5.8826 5.8826 6.6748 6.6748 6.6814 6.6814 6.9958 6.9958 7.0011 7.0011 7.2306 7.2306 7.2344 7.2344 17.9464 17.9464 17.9485 17.9485 18.0636 18.0636 18.0656 18.0656 18.7595 18.7595 k = 0.7218 0.1085-0.2153 ( 3080 PWs) bands (ev): -10.0202 -10.0202 -10.0201 -10.0201 -9.3660 -9.3660 -9.3656 -9.3656 -8.5301 -8.5301 -8.5295 -8.5295 2.0244 2.0244 2.0253 2.0253 2.8213 2.8213 2.8222 2.8222 3.7932 3.7932 3.7959 3.7959 4.3833 4.3833 4.3883 4.3883 5.4796 5.4796 5.4851 5.4851 5.8687 5.8687 5.8734 5.8734 6.6821 6.6821 6.6886 6.6886 6.9903 6.9903 6.9965 6.9965 7.2153 7.2153 7.2184 7.2184 17.9640 17.9640 17.9660 17.9660 18.0797 18.0797 18.0819 18.0819 18.8111 18.8111 k = 0.7144 0.1136-0.2022 ( 3088 PWs) bands (ev): -10.0382 -10.0382 -10.0381 -10.0381 -9.3483 -9.3483 -9.3479 -9.3479 -8.5268 -8.5268 -8.5263 -8.5263 2.0222 2.0222 2.0231 2.0231 2.8274 2.8274 2.8282 2.8282 3.8125 3.8125 3.8153 3.8153 4.4001 4.4001 4.4055 4.4055 5.4294 5.4294 5.4353 5.4353 5.8612 5.8612 5.8661 5.8661 6.6903 6.6903 6.6967 6.6967 6.9799 6.9799 6.9870 6.9870 7.2050 7.2050 7.2073 7.2073 17.9478 17.9478 17.9491 17.9491 18.1270 18.1270 18.1286 18.1286 18.8661 18.8663 k = 0.7070 0.1187-0.1890 ( 3088 PWs) bands (ev): -10.0576 -10.0576 -10.0575 -10.0575 -9.3284 -9.3284 -9.3280 -9.3280 -8.5240 -8.5240 -8.5235 -8.5235 2.0206 2.0206 2.0216 2.0216 2.8326 2.8326 2.8333 2.8333 3.8313 3.8313 3.8340 3.8340 4.4158 4.4158 4.4215 4.4215 5.3786 5.3786 5.3850 5.3850 5.8551 5.8551 5.8601 5.8601 6.6995 6.6995 6.7057 6.7057 6.9644 6.9644 6.9721 6.9721 7.2002 7.2002 7.2020 7.2020 17.9159 17.9159 17.9166 17.9166 18.1864 18.1864 18.1878 18.1878 18.9244 18.9244 k = 0.6996 0.1238-0.1759 ( 3084 PWs) bands (ev): -10.0781 -10.0781 -10.0780 -10.0780 -9.3068 -9.3068 -9.3064 -9.3064 -8.5215 -8.5215 -8.5210 -8.5210 2.0198 2.0198 2.0207 2.0207 2.8373 2.8373 2.8379 2.8379 3.8485 3.8485 3.8512 3.8512 4.4299 4.4299 4.4360 4.4360 5.3284 5.3284 5.3352 5.3352 5.8498 5.8498 5.8550 5.8550 6.7095 6.7095 6.7154 6.7154 6.9444 6.9444 6.9524 6.9524 7.2007 7.2007 7.2021 7.2021 17.8761 17.8761 17.8766 17.8766 18.2497 18.2497 18.2511 18.2511 18.9856 18.9856 k = 0.6922 0.1289-0.1627 ( 3086 PWs) bands (ev): -10.0993 -10.0993 -10.0992 -10.0992 -9.2838 -9.2838 -9.2834 -9.2834 -8.5193 -8.5193 -8.5188 -8.5188 2.0198 2.0198 2.0207 2.0207 2.8419 2.8419 2.8424 2.8424 3.8634 3.8634 3.8661 3.8661 4.4421 4.4421 4.4486 4.4486 5.2799 5.2799 5.2871 5.2871 5.8450 5.8450 5.8504 5.8504 6.7198 6.7198 6.7251 6.7251 6.9218 6.9218 6.9298 6.9298 7.2056 7.2056 7.2067 7.2067 17.8310 17.8310 17.8313 17.8313 18.3144 18.3144 18.3158 18.3158 19.0493 19.0496 k = 0.6848 0.1341-0.1496 ( 3084 PWs) bands (ev): -10.1210 -10.1210 -10.1208 -10.1208 -9.2596 -9.2596 -9.2592 -9.2592 -8.5176 -8.5176 -8.5171 -8.5171 2.0206 2.0206 2.0216 2.0216 2.8468 2.8468 2.8472 2.8472 3.8752 3.8752 3.8779 3.8779 4.4518 4.4518 4.4586 4.4586 5.2343 5.2343 5.2418 5.2418 5.8404 5.8404 5.8459 5.8459 6.7289 6.7289 6.7333 6.7333 6.8996 6.8996 6.9069 6.9069 7.2138 7.2138 7.2148 7.2148 17.7817 17.7817 17.7818 17.7818 18.3793 18.3793 18.3809 18.3809 19.1156 19.1157 k = 0.6774 0.1392-0.1364 ( 3080 PWs) bands (ev): -10.1428 -10.1428 -10.1427 -10.1427 -9.2345 -9.2345 -9.2341 -9.2341 -8.5163 -8.5163 -8.5158 -8.5158 2.0224 2.0224 2.0233 2.0233 2.8523 2.8523 2.8526 2.8526 3.8834 3.8834 3.8860 3.8860 4.4582 4.4582 4.4654 4.4654 5.1929 5.1929 5.2007 5.2007 5.8356 5.8356 5.8411 5.8411 6.7337 6.7337 6.7363 6.7363 6.8822 6.8822 6.8881 6.8881 7.2244 7.2244 7.2254 7.2254 17.7288 17.7288 17.7288 17.7288 18.4437 18.4437 18.4455 18.4455 19.1840 19.1845 k = 0.6701 0.1443-0.1233 ( 3076 PWs) bands (ev): -10.1647 -10.1647 -10.1646 -10.1646 -9.2086 -9.2086 -9.2083 -9.2083 -8.5155 -8.5155 -8.5150 -8.5150 2.0250 2.0250 2.0260 2.0260 2.8587 2.8587 2.8590 2.8590 3.8875 3.8875 3.8901 3.8901 4.4604 4.4604 4.4679 4.4679 5.1572 5.1572 5.1651 5.1651 5.8304 5.8304 5.8359 5.8359 6.7291 6.7291 6.7292 6.7292 6.8757 6.8757 6.8792 6.8792 7.2367 7.2367 7.2377 7.2377 17.6729 17.6729 17.6730 17.6730 18.5068 18.5068 18.5089 18.5089 19.2542 19.2544 k = 0.6627 0.1494-0.1101 ( 3086 PWs) bands (ev): -10.1864 -10.1864 -10.1863 -10.1863 -9.1823 -9.1823 -9.1820 -9.1820 -8.5151 -8.5151 -8.5147 -8.5147 2.0286 2.0286 2.0295 2.0295 2.8662 2.8662 2.8664 2.8664 3.8872 3.8872 3.8897 3.8897 4.4576 4.4576 4.4651 4.4651 5.1285 5.1285 5.1364 5.1364 5.8246 5.8246 5.8301 5.8301 6.7098 6.7098 6.7122 6.7122 6.8825 6.8825 6.8837 6.8837 7.2502 7.2502 7.2511 7.2511 17.6147 17.6147 17.6147 17.6147 18.5681 18.5681 18.5705 18.5705 19.3258 19.3264 k = 0.6553 0.1545-0.0970 ( 3080 PWs) bands (ev): -10.2079 -10.2079 -10.2077 -10.2077 -9.1557 -9.1557 -9.1553 -9.1553 -8.5153 -8.5153 -8.5148 -8.5148 2.0331 2.0331 2.0340 2.0340 2.8750 2.8750 2.8751 2.8751 3.8822 3.8822 3.8847 3.8847 4.4489 4.4489 4.4562 4.4562 5.1081 5.1081 5.1158 5.1158 5.8181 5.8181 5.8236 5.8236 6.6810 6.6810 6.6851 6.6851 6.8998 6.8998 6.9002 6.9002 7.2644 7.2644 7.2653 7.2653 17.5546 17.5546 17.5547 17.5547 18.6271 18.6271 18.6298 18.6298 19.3984 19.3985 k = 0.6479 0.1596-0.0838 ( 3080 PWs) bands (ev): -10.2288 -10.2288 -10.2287 -10.2287 -9.1288 -9.1288 -9.1284 -9.1284 -8.5159 -8.5159 -8.5155 -8.5155 2.0385 2.0385 2.0394 2.0394 2.8853 2.8853 2.8854 2.8854 3.8726 3.8726 3.8750 3.8750 4.4338 4.4338 4.4407 4.4407 5.0966 5.0966 5.1038 5.1038 5.8109 5.8109 5.8163 5.8163 6.6467 6.6467 6.6516 6.6516 6.9238 6.9238 6.9248 6.9248 7.2790 7.2790 7.2800 7.2800 17.4931 17.4931 17.4932 17.4932 18.6832 18.6832 18.6862 18.6862 19.4717 19.4719 k = 0.6405 0.1648-0.0707 ( 3076 PWs) bands (ev): -10.2492 -10.2492 -10.2491 -10.2491 -9.1018 -9.1018 -9.1015 -9.1015 -8.5171 -8.5171 -8.5167 -8.5167 2.0448 2.0448 2.0457 2.0457 2.8972 2.8972 2.8972 2.8972 3.8586 3.8586 3.8610 3.8610 4.4124 4.4124 4.4187 4.4187 5.0940 5.0940 5.1005 5.1005 5.8030 5.8030 5.8082 5.8082 6.6092 6.6092 6.6145 6.6145 6.9528 6.9528 6.9542 6.9542 7.2938 7.2938 7.2948 7.2948 17.4309 17.4309 17.4310 17.4310 18.7360 18.7360 18.7394 18.7394 19.5450 19.5455 k = 0.6331 0.1699-0.0575 ( 3074 PWs) bands (ev): -10.2690 -10.2690 -10.2689 -10.2689 -9.0749 -9.0749 -9.0746 -9.0746 -8.5189 -8.5189 -8.5186 -8.5186 2.0520 2.0520 2.0529 2.0529 2.9108 2.9108 2.9108 2.9108 3.8403 3.8403 3.8427 3.8427 4.3851 4.3851 4.3908 4.3908 5.0999 5.0999 5.1055 5.1055 5.7945 5.7945 5.7995 5.7995 6.5698 6.5698 6.5753 6.5753 6.9853 6.9853 6.9868 6.9868 7.3087 7.3087 7.3096 7.3096 17.3683 17.3683 17.3684 17.3684 18.7851 18.7851 18.7888 18.7888 19.6180 19.6181 k = 0.6257 0.1750-0.0444 ( 3078 PWs) bands (ev): -10.2881 -10.2881 -10.2880 -10.2880 -9.0481 -9.0481 -9.0478 -9.0478 -8.5213 -8.5213 -8.5210 -8.5210 2.0599 2.0599 2.0609 2.0609 2.9261 2.9261 2.9261 2.9261 3.8182 3.8182 3.8205 3.8205 4.3529 4.3529 4.3578 4.3578 5.1130 5.1130 5.1178 5.1178 5.7854 5.7854 5.7902 5.7902 6.5292 6.5292 6.5346 6.5346 7.0202 7.0202 7.0216 7.0216 7.3233 7.3233 7.3242 7.3242 17.3059 17.3059 17.3060 17.3060 18.8302 18.8302 18.8341 18.8341 19.6902 19.6904 k = 0.6183 0.1801-0.0312 ( 3074 PWs) bands (ev): -10.3064 -10.3064 -10.3063 -10.3063 -9.0215 -9.0215 -9.0212 -9.0212 -8.5243 -8.5243 -8.5240 -8.5240 2.0687 2.0687 2.0696 2.0696 2.9432 2.9432 2.9432 2.9432 3.7927 3.7927 3.7950 3.7950 4.3167 4.3167 4.3210 4.3210 5.1323 5.1323 5.1363 5.1363 5.7760 5.7760 5.7805 5.7805 6.4878 6.4878 6.4931 6.4931 7.0567 7.0567 7.0581 7.0581 7.3377 7.3377 7.3386 7.3386 17.2441 17.2441 17.2442 17.2442 18.8712 18.8712 18.8752 18.8752 19.7612 19.7614 k = 0.6109 0.1852-0.0181 ( 3078 PWs) bands (ev): -10.3238 -10.3238 -10.3237 -10.3237 -8.9952 -8.9952 -8.9949 -8.9949 -8.5280 -8.5280 -8.5277 -8.5277 2.0782 2.0782 2.0791 2.0791 2.9621 2.9621 2.9622 2.9622 3.7644 3.7644 3.7666 3.7666 4.2777 4.2777 4.2813 4.2813 5.1567 5.1567 5.1598 5.1598 5.7664 5.7664 5.7705 5.7705 6.4458 6.4458 6.4510 6.4510 7.0942 7.0942 7.0955 7.0955 7.3517 7.3517 7.3526 7.3526 17.1834 17.1834 17.1836 17.1836 18.9078 18.9078 18.9119 18.9119 19.8307 19.8308 k = 0.6035 0.1903-0.0049 ( 3076 PWs) bands (ev): -10.3403 -10.3403 -10.3402 -10.3402 -8.9693 -8.9693 -8.9690 -8.9690 -8.5323 -8.5323 -8.5320 -8.5320 2.0883 2.0883 2.0891 2.0891 2.9827 2.9827 2.9829 2.9829 3.7338 3.7338 3.7359 3.7359 4.2365 4.2365 4.2395 4.2395 5.1849 5.1849 5.1873 5.1873 5.7567 5.7567 5.7605 5.7605 6.4034 6.4034 6.4085 6.4085 7.1321 7.1321 7.1333 7.1333 7.3653 7.3653 7.3660 7.3660 17.1243 17.1243 17.1244 17.1244 18.9401 18.9401 18.9443 18.9443 19.8983 19.8985 k = 0.5961 0.1955 0.0082 ( 3072 PWs) bands (ev): -10.3558 -10.3558 -10.3558 -10.3558 -8.9438 -8.9438 -8.9435 -8.9435 -8.5373 -8.5373 -8.5370 -8.5370 2.0989 2.0989 2.0997 2.0997 3.0052 3.0052 3.0053 3.0053 3.7014 3.7014 3.7035 3.7035 4.1939 4.1939 4.1964 4.1964 5.2162 5.2162 5.2179 5.2179 5.7473 5.7473 5.7506 5.7506 6.3609 6.3609 6.3657 6.3657 7.1698 7.1698 7.1709 7.1709 7.3782 7.3782 7.3789 7.3789 17.0672 17.0672 17.0673 17.0673 18.9683 18.9683 18.9724 18.9724 19.9639 19.9642 k = 0.5887 0.2006 0.0214 ( 3062 PWs) bands (ev): -10.3704 -10.3704 -10.3703 -10.3703 -8.9188 -8.9188 -8.9185 -8.9185 -8.5430 -8.5430 -8.5427 -8.5427 2.1099 2.1099 2.1108 2.1108 3.0292 3.0292 3.0294 3.0294 3.6680 3.6680 3.6700 3.6700 4.1504 4.1504 4.1526 4.1526 5.2499 5.2499 5.2509 5.2509 5.7382 5.7382 5.7411 5.7411 6.3181 6.3181 6.3227 6.3227 7.2069 7.2069 7.2079 7.2079 7.3905 7.3905 7.3911 7.3911 17.0124 17.0124 17.0126 17.0126 18.9925 18.9925 18.9965 18.9965 20.0271 20.0273 k = 0.5813 0.2057 0.0345 ( 3058 PWs) bands (ev): -10.3839 -10.3839 -10.3838 -10.3838 -8.8943 -8.8943 -8.8941 -8.8941 -8.5494 -8.5494 -8.5491 -8.5491 2.1213 2.1213 2.1221 2.1221 3.0548 3.0548 3.0550 3.0550 3.6342 3.6342 3.6360 3.6360 4.1066 4.1066 4.1084 4.1084 5.2851 5.2851 5.2856 5.2856 5.7298 5.7298 5.7322 5.7322 6.2753 6.2753 6.2796 6.2796 7.2429 7.2429 7.2438 7.2438 7.4020 7.4020 7.4027 7.4027 16.9605 16.9605 16.9606 16.9606 19.0130 19.0130 19.0169 19.0169 20.0883 20.0885 k = 0.5739 0.2108 0.0477 ( 3062 PWs) bands (ev): -10.3963 -10.3963 -10.3963 -10.3963 -8.8705 -8.8705 -8.8703 -8.8703 -8.5565 -8.5565 -8.5563 -8.5563 2.1327 2.1327 2.1335 2.1335 3.0818 3.0818 3.0820 3.0820 3.6004 3.6004 3.6021 3.6021 4.0627 4.0627 4.0642 4.0642 5.3214 5.3214 5.3215 5.3215 5.7222 5.7222 5.7242 5.7242 6.2325 6.2325 6.2365 6.2365 7.2773 7.2773 7.2781 7.2781 7.4128 7.4128 7.4134 7.4134 16.9117 16.9117 16.9118 16.9118 19.0302 19.0302 19.0338 19.0338 20.1476 20.1482 k = 0.5665 0.2159 0.0608 ( 3058 PWs) bands (ev): -10.4077 -10.4077 -10.4076 -10.4076 -8.8473 -8.8473 -8.8471 -8.8471 -8.5645 -8.5645 -8.5643 -8.5643 2.1441 2.1441 2.1448 2.1448 3.1100 3.1100 3.1102 3.1102 3.5674 3.5674 3.5689 3.5689 4.0192 4.0192 4.0205 4.0205 5.3577 5.3577 5.3584 5.3584 5.7159 5.7159 5.7173 5.7173 6.1897 6.1897 6.1934 6.1934 7.3097 7.3097 7.3103 7.3103 7.4228 7.4228 7.4233 7.4233 16.8664 16.8664 16.8665 16.8665 19.0445 19.0445 19.0478 19.0478 20.2055 20.2060 k = 0.5591 0.2211 0.0740 ( 3060 PWs) bands (ev): -10.4179 -10.4179 -10.4178 -10.4178 -8.8247 -8.8247 -8.8246 -8.8246 -8.5732 -8.5732 -8.5730 -8.5730 2.1552 2.1552 2.1559 2.1559 3.1392 3.1392 3.1393 3.1393 3.5356 3.5356 3.5369 3.5369 3.9765 3.9765 3.9776 3.9776 5.3940 5.3940 5.3952 5.3952 5.7112 5.7112 5.7120 5.7120 6.1470 6.1470 6.1504 6.1504 7.3396 7.3396 7.3402 7.3402 7.4320 7.4320 7.4324 7.4324 16.8249 16.8249 16.8250 16.8250 19.0561 19.0561 19.0592 19.0592 20.2599 20.2607 k = 0.5518 0.2262 0.0871 ( 3056 PWs) bands (ev): -10.4269 -10.4269 -10.4269 -10.4269 -8.8029 -8.8029 -8.8027 -8.8027 -8.5826 -8.5826 -8.5825 -8.5825 2.1659 2.1659 2.1665 2.1665 3.1690 3.1690 3.1692 3.1692 3.5055 3.5055 3.5067 3.5067 3.9351 3.9351 3.9360 3.9360 5.4295 5.4295 5.4312 5.4312 5.7086 5.7086 5.7088 5.7088 6.1045 6.1045 6.1075 6.1075 7.3668 7.3668 7.3673 7.3673 7.4403 7.4403 7.4407 7.4407 16.7876 16.7876 16.7877 16.7877 19.0656 19.0656 19.0683 19.0683 20.3125 20.3125 k = 0.5444 0.2313 0.1003 ( 3054 PWs) bands (ev): -10.4348 -10.4348 -10.4348 -10.4348 -8.7818 -8.7818 -8.7817 -8.7817 -8.5929 -8.5929 -8.5928 -8.5928 2.1759 2.1759 2.1764 2.1764 3.1991 3.1991 3.1992 3.1992 3.4776 3.4776 3.4786 3.4786 3.8955 3.8955 3.8962 3.8962 5.4634 5.4634 5.4655 5.4655 5.7086 5.7086 5.7090 5.7090 6.0622 6.0622 6.0649 6.0649 7.3908 7.3908 7.3912 7.3912 7.4478 7.4478 7.4481 7.4481 16.7546 16.7546 16.7547 16.7547 19.0731 19.0731 19.0754 19.0754 20.3623 20.3634 k = 0.5370 0.2364 0.1134 ( 3054 PWs) bands (ev): -10.4415 -10.4415 -10.4415 -10.4415 -8.7615 -8.7615 -8.7614 -8.7614 -8.6040 -8.6040 -8.6039 -8.6039 2.1849 2.1849 2.1853 2.1853 3.2289 3.2289 3.2290 3.2290 3.4521 3.4521 3.4529 3.4529 3.8584 3.8584 3.8591 3.8591 5.4943 5.4943 5.4967 5.4967 5.7125 5.7125 5.7134 5.7134 6.0202 6.0202 6.0226 6.0226 7.4112 7.4112 7.4115 7.4115 7.4546 7.4546 7.4548 7.4548 16.7264 16.7264 16.7264 16.7264 19.0790 19.0790 19.0809 19.0809 20.4085 20.4090 k = 0.5296 0.2415 0.1266 ( 3058 PWs) bands (ev): -10.4470 -10.4470 -10.4470 -10.4470 -8.7420 -8.7420 -8.7419 -8.7419 -8.6160 -8.6160 -8.6159 -8.6159 2.1927 2.1927 2.1930 2.1930 3.2579 3.2579 3.2580 3.2580 3.4291 3.4291 3.4297 3.4297 3.8249 3.8249 3.8254 3.8254 5.5208 5.5208 5.5233 5.5233 5.7218 5.7218 5.7231 5.7231 5.9788 5.9788 5.9807 5.9807 7.4277 7.4277 7.4279 7.4279 7.4607 7.4607 7.4609 7.4609 16.7029 16.7029 16.7030 16.7030 19.0835 19.0835 19.0851 19.0851 20.4470 20.4478 k = 0.5222 0.2466 0.1397 ( 3062 PWs) bands (ev): -10.4513 -10.4513 -10.4513 -10.4513 -8.7233 -8.7233 -8.7232 -8.7232 -8.6288 -8.6288 -8.6287 -8.6287 2.1990 2.1990 2.1993 2.1993 3.2853 3.2853 3.2854 3.2854 3.4085 3.4085 3.4090 3.4090 3.7963 3.7963 3.7967 3.7967 5.5415 5.5415 5.5438 5.5438 5.7378 5.7378 5.7391 5.7391 5.9379 5.9379 5.9394 5.9394 7.4400 7.4400 7.4401 7.4401 7.4663 7.4663 7.4664 7.4664 16.6845 16.6845 16.6846 16.6846 19.0868 19.0868 19.0880 19.0880 20.4771 20.4775 k = 0.5148 0.2518 0.1529 ( 3058 PWs) bands (ev): -10.4543 -10.4543 -10.4543 -10.4543 -8.7054 -8.7054 -8.7054 -8.7054 -8.6424 -8.6424 -8.6423 -8.6423 2.2037 2.2037 2.2039 2.2039 3.3106 3.3106 3.3107 3.3107 3.3898 3.3898 3.3900 3.3900 3.7740 3.7740 3.7742 3.7742 5.5559 5.5559 5.5576 5.5576 5.7608 5.7608 5.7618 5.7618 5.8981 5.8981 5.8992 5.8992 7.4480 7.4480 7.4481 7.4481 7.4711 7.4711 7.4711 7.4711 16.6713 16.6713 16.6713 16.6713 19.0892 19.0892 19.0900 19.0900 20.4975 20.4978 k = 0.5074 0.2569 0.1660 ( 3064 PWs) bands (ev): -10.4562 -10.4562 -10.4562 -10.4562 -8.6884 -8.6884 -8.6884 -8.6884 -8.6569 -8.6569 -8.6568 -8.6568 2.2067 2.2067 2.2068 2.2068 3.3331 3.3331 3.3332 3.3332 3.3719 3.3719 3.3720 3.3720 3.7597 3.7597 3.7598 3.7598 5.5642 5.5642 5.5652 5.5652 5.7899 5.7899 5.7904 5.7904 5.8597 5.8597 5.8603 5.8603 7.4524 7.4524 7.4524 7.4524 7.4745 7.4745 7.4745 7.4745 16.6633 16.6633 16.6633 16.6633 19.0906 19.0906 19.0910 19.0910 20.5090 20.5091 k = 0.5000 0.2620 0.1792 ( 3066 PWs) bands (ev): -10.4568 -10.4568 -10.4568 -10.4568 -8.6731 -8.6731 -8.6731 -8.6731 -8.6713 -8.6713 -8.6713 -8.6713 2.2077 2.2077 2.2077 2.2077 3.3511 3.3511 3.3511 3.3511 3.3558 3.3558 3.3558 3.3558 3.7548 3.7548 3.7548 3.7548 5.5672 5.5672 5.5672 5.5672 5.8234 5.8234 5.8234 5.8234 5.8236 5.8236 5.8236 5.8236 7.4538 7.4538 7.4538 7.4538 7.4757 7.4757 7.4757 7.4757 16.6607 16.6607 16.6607 16.6607 19.0912 19.0912 19.0912 19.0912 20.5128 20.5128 k = 0.5000 0.2620 0.1792 ( 3066 PWs) bands (ev): -10.4568 -10.4568 -10.4568 -10.4568 -8.6731 -8.6731 -8.6731 -8.6731 -8.6713 -8.6713 -8.6713 -8.6713 2.2077 2.2077 2.2077 2.2077 3.3511 3.3511 3.3511 3.3511 3.3558 3.3558 3.3558 3.3558 3.7548 3.7548 3.7548 3.7548 5.5672 5.5672 5.5672 5.5672 5.8234 5.8234 5.8234 5.8234 5.8236 5.8236 5.8236 5.8236 7.4538 7.4538 7.4538 7.4538 7.4757 7.4757 7.4757 7.4757 16.6607 16.6607 16.6607 16.6607 19.0912 19.0912 19.0912 19.0912 20.5128 20.5128 k = 0.4865 0.2549 0.1743 ( 3060 PWs) bands (ev): -10.5053 -10.5053 -10.4077 -10.4077 -8.6798 -8.6798 -8.6780 -8.6780 -8.6663 -8.6663 -8.6645 -8.6645 2.1814 2.1814 2.2351 2.2351 3.2939 3.2939 3.2982 3.2982 3.4083 3.4083 3.4135 3.4135 3.6409 3.6409 3.8675 3.8675 5.5281 5.5281 5.6068 5.6068 5.7640 5.7640 5.7641 5.7641 5.8832 5.8832 5.8837 5.8837 7.4392 7.4392 7.4611 7.4611 7.4688 7.4688 7.4907 7.4907 16.5994 16.5994 16.7186 16.7186 19.0446 19.0446 19.1382 19.1382 20.5044 20.5044 k = 0.4730 0.2478 0.1695 ( 3063 PWs) bands (ev): -10.5531 -10.5531 -10.3582 -10.3582 -8.6865 -8.6865 -8.6846 -8.6846 -8.6594 -8.6594 -8.6577 -8.6577 2.1561 2.1561 2.2637 2.2637 3.2371 3.2371 3.2411 3.2411 3.4654 3.4654 3.4710 3.4710 3.5262 3.5262 3.9784 3.9784 5.4891 5.4891 5.6468 5.6468 5.7056 5.7056 5.7057 5.7057 5.9431 5.9431 5.9438 5.9438 7.4251 7.4251 7.4469 7.4469 7.4841 7.4841 7.5061 7.5061 16.5349 16.5349 16.7731 16.7731 18.9988 18.9988 19.1851 19.1851 20.4979 20.4979 k = 0.4595 0.2408 0.1646 ( 3063 PWs) bands (ev): -10.6002 -10.6002 -10.3082 -10.3082 -8.6930 -8.6930 -8.6911 -8.6911 -8.6525 -8.6525 -8.6508 -8.6508 2.1320 2.1320 2.2933 2.2933 3.1810 3.1810 3.1846 3.1846 3.4112 3.4112 3.5218 3.5218 3.5279 3.5279 4.0871 4.0871 5.4501 5.4501 5.6471 5.6471 5.6486 5.6486 5.6894 5.6894 6.0027 6.0027 6.0034 6.0034 7.4115 7.4115 7.4333 7.4333 7.4997 7.4997 7.5217 7.5217 16.4674 16.4674 16.8241 16.8241 18.9542 18.9542 19.2315 19.2315 20.4931 20.4931 k = 0.4459 0.2337 0.1598 ( 3063 PWs) bands (ev): -10.6465 -10.6465 -10.2578 -10.2578 -8.6995 -8.6995 -8.6975 -8.6975 -8.6456 -8.6456 -8.6439 -8.6439 2.1090 2.1090 2.3240 2.3240 3.1257 3.1257 3.1290 3.1290 3.2962 3.2962 3.5770 3.5770 3.5837 3.5837 4.1927 4.1927 5.4112 5.4112 5.5924 5.5924 5.5937 5.5937 5.7317 5.7317 6.0614 6.0614 6.0623 6.0623 7.3986 7.3986 7.4203 7.4203 7.5156 7.5156 7.5375 7.5375 16.3972 16.3972 16.8713 16.8713 18.9113 18.9113 19.2769 19.2769 20.4898 20.4898 k = 0.4324 0.2266 0.1550 ( 3063 PWs) bands (ev): -10.6920 -10.6920 -10.2072 -10.2072 -8.7058 -8.7058 -8.7038 -8.7038 -8.6386 -8.6386 -8.6370 -8.6370 2.0870 2.0870 2.3557 2.3557 3.0715 3.0715 3.0744 3.0744 3.1817 3.1817 3.6307 3.6307 3.6378 3.6378 4.2947 4.2947 5.3721 5.3721 5.5399 5.5399 5.5416 5.5416 5.7763 5.7763 6.1191 6.1191 6.1200 6.1200 7.3864 7.3864 7.4080 7.4080 7.5316 7.5316 7.5535 7.5535 16.3243 16.3243 16.9149 16.9149 18.8704 18.8704 19.3207 19.3207 20.4878 20.4878 k = 0.4189 0.2195 0.1501 ( 3063 PWs) bands (ev): -10.7365 -10.7365 -10.1564 -10.1564 -8.7120 -8.7120 -8.7100 -8.7100 -8.6316 -8.6316 -8.6300 -8.6300 2.0660 2.0660 2.3885 2.3885 3.0185 3.0185 3.0211 3.0211 3.0679 3.0679 3.6821 3.6821 3.6898 3.6898 4.3921 4.3921 5.3329 5.3329 5.4907 5.4907 5.4929 5.4929 5.8234 5.8234 6.1753 6.1753 6.1762 6.1762 7.3750 7.3750 7.3964 7.3964 7.5477 7.5477 7.5695 7.5695 16.2490 16.2490 16.9547 16.9547 18.8316 18.8316 19.3626 19.3626 20.4709 20.4726 k = 0.4054 0.2124 0.1453 ( 3060 PWs) bands (ev): -10.7802 -10.7802 -10.1055 -10.1055 -8.7181 -8.7181 -8.7160 -8.7160 -8.6246 -8.6246 -8.6231 -8.6231 2.0460 2.0460 2.4223 2.4223 2.9551 2.9551 2.9668 2.9668 2.9691 2.9691 3.7304 3.7304 3.7387 3.7387 4.4844 4.4844 5.2936 5.2936 5.4458 5.4458 5.4484 5.4484 5.8735 5.8735 6.2298 6.2298 6.2306 6.2306 7.3645 7.3645 7.3857 7.3857 7.5639 7.5639 7.5856 7.5856 16.1716 16.1716 16.9907 16.9907 18.7954 18.7954 19.4021 19.4021 20.4233 20.4276 k = 0.3919 0.2054 0.1404 ( 3060 PWs) bands (ev): -10.8228 -10.8228 -10.0545 -10.0545 -8.7240 -8.7240 -8.7219 -8.7219 -8.6177 -8.6177 -8.6162 -8.6162 2.0268 2.0268 2.4570 2.4570 2.8438 2.8438 2.9166 2.9166 2.9186 2.9186 3.7750 3.7750 3.7839 3.7839 4.5705 4.5705 5.2542 5.2542 5.4060 5.4060 5.4091 5.4091 5.9273 5.9273 6.2821 6.2821 6.2829 6.2829 7.3550 7.3550 7.3759 7.3759 7.5800 7.5800 7.6016 7.6016 16.0922 16.0922 17.0230 17.0230 18.7618 18.7618 19.4389 19.4389 20.3726 20.3733 k = 0.3784 0.1983 0.1356 ( 3060 PWs) bands (ev): -10.8644 -10.8644 -10.0037 -10.0037 -8.7297 -8.7297 -8.7276 -8.7276 -8.6108 -8.6108 -8.6093 -8.6093 2.0084 2.0084 2.4927 2.4927 2.7343 2.7343 2.8679 2.8679 2.8697 2.8697 3.8149 3.8149 3.8244 3.8244 4.6499 4.6499 5.2148 5.2148 5.3723 5.3723 5.3758 5.3758 5.9853 5.9853 6.3321 6.3321 6.3327 6.3327 7.3465 7.3465 7.3671 7.3671 7.5960 7.5960 7.6176 7.6176 16.0111 16.0111 17.0517 17.0517 18.7311 18.7311 19.4728 19.4728 20.3210 20.3214 k = 0.3649 0.1912 0.1307 ( 3060 PWs) bands (ev): -10.9049 -10.9049 -9.9531 -9.9531 -8.7353 -8.7353 -8.7332 -8.7332 -8.6040 -8.6040 -8.6025 -8.6025 1.9905 1.9905 2.5291 2.5291 2.6269 2.6269 2.8209 2.8209 2.8225 2.8225 3.8492 3.8492 3.8593 3.8593 4.7217 4.7217 5.1753 5.1753 5.3456 5.3456 5.3496 5.3496 6.0479 6.0479 6.3794 6.3794 6.3797 6.3797 7.3391 7.3391 7.3595 7.3595 7.6119 7.6119 7.6333 7.6333 15.9284 15.9284 17.0768 17.0768 18.7035 18.7035 19.5036 19.5036 20.2683 20.2691 k = 0.3514 0.1841 0.1259 ( 3060 PWs) bands (ev): -10.9443 -10.9443 -9.9027 -9.9027 -8.7408 -8.7408 -8.7386 -8.7386 -8.5972 -8.5972 -8.5958 -8.5958 1.9729 1.9729 2.5219 2.5219 2.5667 2.5667 2.7756 2.7756 2.7770 2.7770 3.8772 3.8772 3.8877 3.8877 4.7856 4.7856 5.1360 5.1360 5.3269 5.3269 5.3312 5.3312 6.1154 6.1154 6.4237 6.4237 6.4238 6.4238 7.3330 7.3330 7.3530 7.3530 7.6276 7.6276 7.6488 7.6488 15.8445 15.8445 17.0984 17.0984 18.6790 18.6790 19.5314 19.5314 20.2151 20.2191 k = 0.3378 0.1770 0.1211 ( 3069 PWs) bands (ev): -10.9825 -10.9825 -9.8528 -9.8528 -8.7460 -8.7460 -8.7438 -8.7438 -8.5905 -8.5905 -8.5891 -8.5891 1.9551 1.9551 2.4206 2.4206 2.6046 2.6046 2.7321 2.7321 2.7333 2.7333 3.8980 3.8980 3.9090 3.9090 4.8414 4.8414 5.0968 5.0968 5.3169 5.3169 5.3215 5.3215 6.1878 6.1878 6.4647 6.4647 6.4649 6.4649 7.3281 7.3281 7.3477 7.3477 7.6429 7.6429 7.6640 7.6640 15.7596 15.7596 17.1167 17.1167 18.6577 18.6577 19.5561 19.5561 20.1618 20.1629 k = 0.3243 0.1699 0.1162 ( 3075 PWs) bands (ev): -11.0194 -11.0194 -9.8034 -9.8034 -8.7511 -8.7511 -8.7489 -8.7489 -8.5839 -8.5839 -8.5826 -8.5826 1.9362 1.9362 2.3235 2.3235 2.6433 2.6433 2.6905 2.6905 2.6914 2.6914 3.9113 3.9113 3.9226 3.9226 4.8890 4.8890 5.0578 5.0578 5.3161 5.3161 5.3209 5.3209 6.2650 6.2650 6.5022 6.5022 6.5028 6.5028 7.3246 7.3246 7.3437 7.3437 7.6578 7.6578 7.6787 7.6787 15.6739 15.6739 17.1320 17.1320 18.6397 18.6397 19.5779 19.5779 20.1089 20.1097 k = 0.3108 0.1629 0.1114 ( 3075 PWs) bands (ev): -11.0552 -11.0552 -9.7546 -9.7546 -8.7560 -8.7560 -8.7537 -8.7537 -8.5775 -8.5775 -8.5762 -8.5762 1.9148 1.9148 2.2323 2.2323 2.6507 2.6507 2.6514 2.6514 2.6827 2.6827 3.9170 3.9170 3.9284 3.9284 4.9286 4.9286 5.0192 5.0192 5.3247 5.3247 5.3295 5.3295 6.3465 6.3465 6.5361 6.5361 6.5372 6.5372 7.3224 7.3224 7.3410 7.3410 7.6723 7.6723 7.6931 7.6931 15.5877 15.5877 17.1443 17.1443 18.6249 18.6249 19.5971 19.5971 20.0568 20.0569 k = 0.2973 0.1558 0.1065 ( 3081 PWs) bands (ev): -11.0896 -11.0896 -9.7065 -9.7065 -8.7607 -8.7607 -8.7584 -8.7584 -8.5712 -8.5712 -8.5699 -8.5699 1.8882 1.8882 2.1499 2.1499 2.6129 2.6129 2.6134 2.6134 2.7225 2.7225 3.9152 3.9152 3.9267 3.9267 4.9606 4.9606 4.9811 4.9811 5.3424 5.3424 5.3472 5.3472 6.4319 6.4319 6.5664 6.5664 6.5679 6.5679 7.3216 7.3216 7.3396 7.3396 7.6862 7.6862 7.7068 7.7068 15.5012 15.5012 17.1539 17.1539 18.6135 18.6135 19.6137 19.6137 20.0059 20.0059 k = 0.2838 0.1487 0.1017 ( 3081 PWs) bands (ev): -11.1227 -11.1227 -9.6594 -9.6594 -8.7652 -8.7652 -8.7629 -8.7629 -8.5650 -8.5650 -8.5638 -8.5638 1.8522 1.8522 2.0806 2.0806 2.5771 2.5771 2.5774 2.5774 2.7628 2.7628 3.9066 3.9066 3.9181 3.9181 4.9435 4.9435 4.9857 4.9857 5.3687 5.3687 5.3733 5.3733 6.5203 6.5203 6.5931 6.5931 6.5950 6.5950 7.3219 7.3219 7.3393 7.3393 7.6995 7.6995 7.7200 7.7200 15.4148 15.4148 17.1610 17.1610 18.6053 18.6053 19.6281 19.6281 19.9565 19.9566 k = 0.2703 0.1416 0.0968 ( 3087 PWs) bands (ev): -11.1545 -11.1545 -9.6132 -9.6132 -8.7695 -8.7695 -8.7672 -8.7672 -8.5590 -8.5590 -8.5578 -8.5578 1.8028 1.8028 2.0286 2.0286 2.5432 2.5432 2.5433 2.5433 2.8033 2.8033 3.8919 3.8919 3.9032 3.9032 4.9066 4.9066 5.0043 5.0043 5.4028 5.4028 5.4071 5.4071 6.6085 6.6085 6.6185 6.6185 6.6185 6.6185 7.3234 7.3234 7.3402 7.3402 7.7121 7.7121 7.7325 7.7325 15.3286 15.3286 17.1659 17.1659 18.6002 18.6002 19.6404 19.6404 19.9090 19.9091 k = 0.2568 0.1345 0.0920 ( 3090 PWs) bands (ev): -11.1849 -11.1849 -9.5682 -9.5682 -8.7736 -8.7736 -8.7713 -8.7713 -8.5532 -8.5532 -8.5520 -8.5520 1.7408 1.7408 1.9933 1.9933 2.5112 2.5112 2.5112 2.5112 2.8440 2.8440 3.8721 3.8721 3.8832 3.8832 4.8705 4.8705 5.0172 5.0172 5.4435 5.4435 5.4475 5.4475 6.6347 6.6347 6.6383 6.6383 6.7040 6.7040 7.3259 7.3259 7.3420 7.3420 7.7239 7.7239 7.7442 7.7442 15.2431 15.2431 17.1688 17.1688 18.5982 18.5982 19.6511 19.6511 19.8636 19.8686 k = 0.2432 0.1275 0.0872 ( 3090 PWs) bands (ev): -11.2138 -11.2138 -9.5244 -9.5244 -8.7775 -8.7775 -8.7751 -8.7751 -8.5476 -8.5476 -8.5464 -8.5464 1.6710 1.6710 1.9698 1.9698 2.4811 2.4811 2.4813 2.4813 2.8848 2.8848 3.8482 3.8482 3.8591 3.8591 4.8354 4.8354 5.0249 5.0249 5.4900 5.4900 5.4936 5.4936 6.6506 6.6506 6.6547 6.6547 6.7969 6.7969 7.3292 7.3292 7.3446 7.3446 7.7349 7.7349 7.7550 7.7550 15.1585 15.1585 17.1699 17.1699 18.5990 18.5990 19.6601 19.6601 19.8206 19.8215 k = 0.2297 0.1204 0.0823 ( 3090 PWs) bands (ev): -11.2414 -11.2414 -9.4820 -9.4820 -8.7812 -8.7812 -8.7788 -8.7788 -8.5422 -8.5422 -8.5410 -8.5410 1.5982 1.5982 1.9536 1.9536 2.4530 2.4530 2.4533 2.4533 2.9255 2.9255 3.8212 3.8212 3.8318 3.8318 4.8012 4.8012 5.0281 5.0281 5.5411 5.5411 5.5444 5.5444 6.6632 6.6632 6.6678 6.6678 6.8900 6.8900 7.3330 7.3330 7.3478 7.3478 7.7450 7.7450 7.7651 7.7651 15.0751 15.0751 17.1695 17.1695 18.6026 18.6026 19.6678 19.6678 19.7802 19.7804 k = 0.2162 0.1133 0.0775 ( 3084 PWs) bands (ev): -11.2675 -11.2675 -9.4411 -9.4411 -8.7847 -8.7847 -8.7823 -8.7823 -8.5370 -8.5370 -8.5359 -8.5359 1.5255 1.5255 1.9418 1.9418 2.4268 2.4268 2.4273 2.4273 2.9660 2.9660 3.7919 3.7919 3.8023 3.8023 4.7683 4.7683 5.0273 5.0273 5.5959 5.5959 5.5987 5.5987 6.6726 6.6726 6.6777 6.6777 6.9823 6.9823 7.3371 7.3371 7.3512 7.3512 7.7542 7.7542 7.7742 7.7742 14.9933 14.9933 17.1678 17.1678 18.6088 18.6088 19.6744 19.6744 19.7427 19.7427 k = 0.2027 0.1062 0.0726 ( 3078 PWs) bands (ev): -11.2921 -11.2921 -9.4019 -9.4019 -8.7880 -8.7880 -8.7855 -8.7855 -8.5320 -8.5320 -8.5310 -8.5310 1.4545 1.4545 1.9327 1.9327 2.4026 2.4026 2.4032 2.4032 3.0060 3.0060 3.7613 3.7613 3.7714 3.7714 4.7366 4.7366 5.0231 5.0231 5.6534 5.6534 5.6559 5.6559 6.6792 6.6792 6.6846 6.6846 7.0731 7.0731 7.3413 7.3413 7.3548 7.3548 7.7624 7.7624 7.7824 7.7824 14.9135 14.9135 17.1650 17.1650 18.6172 18.6172 19.6799 19.6799 19.7081 19.7098 k = 0.1892 0.0991 0.0678 ( 3078 PWs) bands (ev): -11.3152 -11.3152 -9.3644 -9.3644 -8.7910 -8.7910 -8.7886 -8.7886 -8.5273 -8.5273 -8.5263 -8.5263 1.3861 1.3861 1.9257 1.9257 2.3803 2.3803 2.3810 2.3810 3.0455 3.0455 3.7299 3.7299 3.7398 3.7398 4.7063 4.7063 5.0160 5.0160 5.7130 5.7130 5.7151 5.7151 6.6830 6.6830 6.6888 6.6888 7.1618 7.1618 7.3452 7.3452 7.3581 7.3581 7.7696 7.7696 7.7897 7.7897 14.8361 14.8361 17.1613 17.1613 18.6276 18.6276 19.6753 19.6766 19.6856 19.6858 k = 0.1757 0.0921 0.0630 ( 3078 PWs) bands (ev): -11.3368 -11.3368 -9.3288 -9.3288 -8.7939 -8.7939 -8.7914 -8.7914 -8.5229 -8.5229 -8.5219 -8.5219 1.3210 1.3210 1.9200 1.9200 2.3598 2.3598 2.3607 2.3607 3.0841 3.0841 3.6986 3.6986 3.7082 3.7082 4.6775 4.6775 5.0065 5.0065 5.7738 5.7738 5.7756 5.7756 6.6843 6.6843 6.6904 6.6904 7.2476 7.2476 7.3488 7.3488 7.3611 7.3611 7.7759 7.7759 7.7961 7.7961 14.7614 14.7614 17.1570 17.1570 18.6398 18.6398 19.6471 19.6472 19.6664 19.6664 k = 0.1622 0.0850 0.0581 ( 3084 PWs) bands (ev): -11.3569 -11.3569 -9.2953 -9.2953 -8.7965 -8.7965 -8.7941 -8.7941 -8.5188 -8.5188 -8.5178 -8.5178 1.2596 1.2596 1.9155 1.9155 2.3412 2.3412 2.3422 2.3422 3.1217 3.1217 3.6677 3.6677 3.6771 3.6771 4.6503 4.6503 4.9950 4.9950 5.8352 5.8352 5.8367 5.8367 6.6832 6.6832 6.6895 6.6895 7.3294 7.3294 7.3525 7.3525 7.3635 7.3635 7.7814 7.7814 7.8016 7.8016 14.6898 14.6898 17.1523 17.1523 18.6534 18.6534 19.6214 19.6214 19.6405 19.6405 k = 0.1486 0.0779 0.0533 ( 3081 PWs) bands (ev): -11.3754 -11.3754 -9.2640 -9.2640 -8.7990 -8.7990 -8.7965 -8.7965 -8.5149 -8.5149 -8.5139 -8.5139 1.2022 1.2022 1.9119 1.9119 2.3244 2.3244 2.3255 2.3255 3.1579 3.1579 3.6378 3.6378 3.6470 3.6470 4.6248 4.6248 4.9821 4.9821 5.8966 5.8966 5.8979 5.8979 6.6799 6.6799 6.6862 6.6862 7.3532 7.3532 7.3652 7.3652 7.4094 7.4094 7.7860 7.7860 7.8062 7.8062 14.6217 14.6217 17.1472 17.1472 18.6681 18.6681 19.5987 19.5987 19.6176 19.6176 k = 0.1351 0.0708 0.0484 ( 3075 PWs) bands (ev): -11.3924 -11.3924 -9.2349 -9.2349 -8.8012 -8.8012 -8.7987 -8.7987 -8.5113 -8.5113 -8.5104 -8.5104 1.1491 1.1491 1.9090 1.9090 2.3092 2.3092 2.3105 2.3105 3.1926 3.1926 3.6092 3.6092 3.6183 3.6183 4.6012 4.6012 4.9683 4.9683 5.9576 5.9576 5.9587 5.9587 6.6744 6.6744 6.6807 6.6807 7.3548 7.3548 7.3662 7.3662 7.4832 7.4832 7.7898 7.7898 7.8101 7.8101 14.5577 14.5577 17.1421 17.1421 18.6835 18.6835 19.5788 19.5788 19.5976 19.5976 k = 0.1216 0.0637 0.0436 ( 3075 PWs) bands (ev): -11.4078 -11.4078 -9.2082 -9.2082 -8.8032 -8.8032 -8.8007 -8.8007 -8.5081 -8.5081 -8.5072 -8.5072 1.1006 1.1006 1.9067 1.9067 2.2958 2.2958 2.2971 2.2971 3.2254 3.2254 3.5824 3.5824 3.5913 3.5913 4.5795 4.5795 4.9538 4.9538 6.0176 6.0176 6.0185 6.0185 6.6667 6.6667 6.6730 6.6730 7.3554 7.3554 7.3664 7.3664 7.5519 7.5519 7.7931 7.7931 7.8133 7.8133 14.4981 14.4981 17.1369 17.1369 18.6991 18.6991 19.5616 19.5616 19.5802 19.5802 k = 0.1081 0.0566 0.0387 ( 3099 PWs) bands (ev): -11.4216 -11.4216 -9.1840 -9.1840 -8.8050 -8.8050 -8.8025 -8.8025 -8.5052 -8.5052 -8.5042 -8.5042 1.0566 1.0566 1.9048 1.9048 2.2840 2.2840 2.2854 2.2854 3.2560 3.2560 3.5576 3.5576 3.5664 3.5664 4.5598 4.5598 4.9393 4.9393 6.0760 6.0760 6.0768 6.0768 6.6568 6.6568 6.6629 6.6629 7.3552 7.3552 7.3659 7.3659 7.6149 7.6149 7.7958 7.7958 7.8159 7.8159 14.4433 14.4433 17.1320 17.1320 18.7147 18.7147 19.5471 19.5471 19.5654 19.5654 k = 0.0946 0.0496 0.0339 ( 3110 PWs) bands (ev): -11.4338 -11.4338 -9.1624 -9.1624 -8.8066 -8.8066 -8.8041 -8.8041 -8.5026 -8.5026 -8.5017 -8.5017 1.0175 1.0175 1.9034 1.9034 2.2737 2.2737 2.2752 2.2752 3.2842 3.2842 3.5352 3.5352 3.5438 3.5438 4.5422 4.5422 4.9252 4.9252 6.1326 6.1326 6.1333 6.1333 6.6448 6.6448 6.6507 6.6507 7.3542 7.3542 7.3648 7.3648 7.6716 7.6716 7.7983 7.7983 7.8180 7.8180 14.3937 14.3937 17.1273 17.1273 18.7297 18.7297 19.5350 19.5350 19.5531 19.5531 k = 0.0811 0.0425 0.0291 ( 3110 PWs) bands (ev): -11.4444 -11.4444 -9.1435 -9.1435 -8.8080 -8.8080 -8.8054 -8.8054 -8.5003 -8.5003 -8.4994 -8.4994 0.9834 0.9834 1.9023 1.9023 2.2650 2.2650 2.2666 2.2666 3.3094 3.3094 3.5152 3.5152 3.5238 3.5238 4.5268 4.5268 4.9118 4.9118 6.1867 6.1867 6.1874 6.1874 6.6305 6.6305 6.6361 6.6361 7.3528 7.3528 7.3631 7.3631 7.7209 7.7209 7.8012 7.8012 7.8196 7.8196 14.3498 14.3498 17.1231 17.1231 18.7437 18.7437 19.5251 19.5251 19.5429 19.5429 k = 0.0676 0.0354 0.0242 ( 3110 PWs) bands (ev): -11.4534 -11.4534 -9.1273 -9.1273 -8.8091 -8.8091 -8.8066 -8.8066 -8.4983 -8.4983 -8.4975 -8.4975 0.9543 0.9543 1.9014 1.9014 2.2577 2.2577 2.2593 2.2593 3.3315 3.3315 3.4980 3.4980 3.5065 3.5065 4.5136 4.5136 4.8996 4.8996 6.2380 6.2380 6.2388 6.2388 6.6140 6.6140 6.6193 6.6193 7.3510 7.3510 7.3612 7.3612 7.7608 7.7608 7.8061 7.8061 7.8209 7.8209 14.3120 14.3120 17.1193 17.1193 18.7565 18.7565 19.5172 19.5172 19.5348 19.5348 k = 0.0541 0.0283 0.0194 ( 3110 PWs) bands (ev): -11.4607 -11.4607 -9.1140 -9.1140 -8.8101 -8.8101 -8.8075 -8.8075 -8.4968 -8.4968 -8.4959 -8.4959 0.9304 0.9304 1.9008 1.9008 2.2518 2.2518 2.2535 2.2535 3.3502 3.3502 3.4837 3.4837 3.4921 3.4921 4.5028 4.5028 4.8890 4.8890 6.2859 6.2859 6.2867 6.2867 6.5954 6.5954 6.6003 6.6003 7.3491 7.3491 7.3593 7.3593 7.7848 7.7848 7.8192 7.8192 7.8218 7.8218 14.2805 14.2805 17.1161 17.1161 18.7674 18.7674 19.5111 19.5111 19.5285 19.5285 k = 0.0405 0.0212 0.0145 ( 3104 PWs) bands (ev): -11.4664 -11.4664 -9.1036 -9.1036 -8.8108 -8.8108 -8.8083 -8.8083 -8.4955 -8.4955 -8.4946 -8.4946 0.9117 0.9117 1.9004 1.9004 2.2473 2.2473 2.2490 2.2490 3.3650 3.3650 3.4725 3.4725 3.4808 3.4808 4.4943 4.4943 4.8804 4.8804 6.3294 6.3294 6.3303 6.3303 6.5751 6.5751 6.5797 6.5797 7.3473 7.3473 7.3574 7.3574 7.7926 7.7926 7.8225 7.8225 7.8405 7.8405 14.2557 14.2557 17.1136 17.1136 18.7764 18.7764 19.5066 19.5066 19.5239 19.5239 k = 0.0270 0.0142 0.0097 ( 3110 PWs) bands (ev): -11.4705 -11.4705 -9.0961 -9.0961 -8.8113 -8.8113 -8.8088 -8.8088 -8.4946 -8.4946 -8.4938 -8.4938 0.8983 0.8983 1.9001 1.9001 2.2440 2.2440 2.2458 2.2458 3.3758 3.3758 3.4644 3.4644 3.4727 3.4727 4.4882 4.4882 4.8740 4.8740 6.3671 6.3671 6.3680 6.3680 6.5543 6.5543 6.5586 6.5586 7.3458 7.3458 7.3559 7.3559 7.7951 7.7951 7.8230 7.8230 7.8590 7.8590 14.2378 14.2378 17.1118 17.1118 18.7830 18.7830 19.5035 19.5035 19.5206 19.5206 k = 0.0135 0.0071 0.0048 ( 3113 PWs) bands (ev): -11.4730 -11.4730 -9.0917 -9.0917 -8.8116 -8.8116 -8.8091 -8.8091 -8.4941 -8.4941 -8.4932 -8.4932 0.8903 0.8903 1.8999 1.8999 2.2421 2.2421 2.2439 2.2439 3.3823 3.3823 3.4595 3.4595 3.4678 3.4678 4.4845 4.4845 4.8701 4.8701 6.3954 6.3954 6.3963 6.3963 6.5362 6.5362 6.5405 6.5405 7.3449 7.3449 7.3550 7.3550 7.7961 7.7961 7.8232 7.8232 7.8707 7.8707 14.2270 14.2270 17.1106 17.1106 18.7871 18.7871 19.5017 19.5017 19.5188 19.5188 k = 0.0000 0.0000 0.0000 ( 3131 PWs) bands (ev): -11.4738 -11.4738 -9.0902 -9.0902 -8.8118 -8.8118 -8.8092 -8.8092 -8.4939 -8.4939 -8.4931 -8.4931 0.8876 0.8876 1.8998 1.8998 2.2415 2.2415 2.2433 2.2433 3.3845 3.3845 3.4578 3.4578 3.4661 3.4661 4.4833 4.4833 4.8688 4.8688 6.4067 6.4067 6.4076 6.4076 6.5283 6.5283 6.5325 6.5325 7.3445 7.3445 7.3546 7.3546 7.7964 7.7964 7.8233 7.8233 7.8746 7.8746 14.2234 14.2234 17.1103 17.1103 18.7884 18.7884 19.5011 19.5011 19.5181 19.5181 k = 0.0000 0.0000 0.0000 ( 3131 PWs) bands (ev): -11.4738 -11.4738 -9.0902 -9.0902 -8.8118 -8.8118 -8.8092 -8.8092 -8.4939 -8.4939 -8.4931 -8.4931 0.8876 0.8876 1.8998 1.8998 2.2415 2.2415 2.2433 2.2433 3.3845 3.3845 3.4578 3.4578 3.4661 3.4661 4.4833 4.4833 4.8688 4.8688 6.4067 6.4067 6.4076 6.4076 6.5283 6.5283 6.5325 6.5325 7.3445 7.3445 7.3546 7.3546 7.7964 7.7964 7.8233 7.8233 7.8746 7.8746 14.2234 14.2234 17.1103 17.1103 18.7884 18.7884 19.5011 19.5011 19.5181 19.5181 k = 0.0075-0.0052-0.0133 ( 3119 PWs) bands (ev): -11.4730 -11.4730 -9.0901 -9.0901 -8.8123 -8.8123 -8.8098 -8.8098 -8.4941 -8.4941 -8.4933 -8.4933 0.8883 0.8883 1.8939 1.8939 2.2412 2.2412 2.2507 2.2507 3.3509 3.3509 3.4596 3.4596 3.4983 3.4983 4.4876 4.4876 4.8709 4.8709 6.4041 6.4041 6.4052 6.4052 6.5292 6.5292 6.5336 6.5336 7.3430 7.3430 7.3530 7.3530 7.7949 7.7949 7.8218 7.8218 7.8743 7.8743 14.2273 14.2273 17.1136 17.1136 18.7824 18.7824 19.5026 19.5026 19.5218 19.5218 k = 0.0150-0.0104-0.0266 ( 3113 PWs) bands (ev): -11.4706 -11.4706 -9.0901 -9.0901 -8.8140 -8.8140 -8.8114 -8.8114 -8.4948 -8.4948 -8.4939 -8.4939 0.8906 0.8906 1.8778 1.8778 2.2378 2.2378 2.2737 2.2737 3.2971 3.2971 3.4538 3.4538 3.5587 3.5587 4.5005 4.5005 4.8772 4.8772 6.3959 6.3959 6.3989 6.3989 6.5310 6.5310 6.5370 6.5370 7.3381 7.3381 7.3484 7.3484 7.7892 7.7892 7.8185 7.8185 7.8734 7.8734 14.2391 14.2391 17.1238 17.1238 18.7650 18.7650 19.5001 19.5001 19.5386 19.5386 k = 0.0225-0.0155-0.0400 ( 3107 PWs) bands (ev): -11.4665 -11.4665 -9.0901 -9.0901 -8.8168 -8.8168 -8.8139 -8.8139 -8.4959 -8.4959 -8.4951 -8.4951 0.8944 0.8944 1.8546 1.8546 2.2323 2.2323 2.3083 2.3083 3.2425 3.2425 3.4443 3.4443 3.6248 3.6248 4.5214 4.5214 4.8877 4.8877 6.3828 6.3828 6.3893 6.3893 6.5321 6.5321 6.5426 6.5426 7.3292 7.3292 7.3416 7.3416 7.7771 7.7771 7.8156 7.8156 7.8720 7.8720 14.2585 14.2585 17.1406 17.1406 18.7381 18.7381 19.4912 19.4912 19.5679 19.5679 k = 0.0300-0.0207-0.0533 ( 3103 PWs) bands (ev): -11.4608 -11.4608 -9.0903 -9.0903 -8.8208 -8.8208 -8.8174 -8.8174 -8.4975 -8.4975 -8.4966 -8.4966 0.8997 0.8997 1.8277 1.8277 2.2246 2.2246 2.3512 2.3512 3.1895 3.1895 3.4317 3.4317 3.6940 3.6940 4.5498 4.5498 4.9022 4.9022 6.3658 6.3658 6.3774 6.3774 6.5318 6.5318 6.5496 6.5496 7.3159 7.3159 7.3331 7.3331 7.7579 7.7579 7.8142 7.8142 7.8701 7.8701 14.2855 14.2855 17.1639 17.1639 18.7037 18.7037 19.4772 19.4772 19.5987 19.5987 k = 0.0374-0.0259-0.0666 ( 3097 PWs) bands (ev): -11.4536 -11.4536 -9.0907 -9.0907 -8.8258 -8.8258 -8.8216 -8.8216 -8.4995 -8.4995 -8.4987 -8.4987 0.9065 0.9065 1.7991 1.7991 2.2151 2.2151 2.4003 2.4003 3.1386 3.1386 3.4167 3.4167 3.7656 3.7656 4.5849 4.5849 4.9206 4.9206 6.3456 6.3456 6.3636 6.3636 6.5292 6.5292 6.5572 6.5572 7.2981 7.2981 7.3230 7.3230 7.7326 7.7326 7.8136 7.8136 7.8678 7.8678 14.3197 14.3197 17.1937 17.1937 18.6639 18.6639 19.4578 19.4578 19.5972 19.5972 k = 0.0449-0.0311-0.0799 ( 3093 PWs) bands (ev): -11.4447 -11.4447 -9.0915 -9.0915 -8.8315 -8.8315 -8.8268 -8.8268 -8.5020 -8.5020 -8.5012 -8.5012 0.9147 0.9147 1.7704 1.7704 2.2038 2.2038 2.4538 2.4538 3.0901 3.0901 3.4001 3.4001 3.8393 3.8393 4.6260 4.6260 4.9426 4.9426 6.3225 6.3225 6.3486 6.3486 6.5237 6.5237 6.5648 6.5648 7.2761 7.2761 7.3114 7.3114 7.7025 7.7025 7.8134 7.8134 7.8652 7.8652 14.3610 14.3610 17.2296 17.2296 18.6204 18.6204 19.4328 19.4328 19.5674 19.5674 k = 0.0524-0.0363-0.0932 ( 3095 PWs) bands (ev): -11.4342 -11.4342 -9.0930 -9.0930 -8.8377 -8.8377 -8.8327 -8.8327 -8.5050 -8.5050 -8.5043 -8.5043 0.9245 0.9245 1.7425 1.7425 2.1910 2.1910 2.5110 2.5110 3.0441 3.0441 3.3825 3.3825 3.9149 3.9149 4.6722 4.6722 4.9679 4.9679 6.2970 6.2970 6.3326 6.3326 6.5148 6.5148 6.5722 6.5722 7.2497 7.2497 7.2983 7.2983 7.6686 7.6686 7.8131 7.8131 7.8622 7.8622 14.4088 14.4088 17.2715 17.2715 18.5744 18.5744 19.4016 19.4016 19.5296 19.5296 k = 0.0599-0.0415-0.1065 ( 3095 PWs) bands (ev): -11.4221 -11.4221 -9.0954 -9.0954 -8.8439 -8.8439 -8.8395 -8.8395 -8.5085 -8.5085 -8.5078 -8.5078 0.9357 0.9357 1.7158 1.7158 2.1769 2.1769 2.5710 2.5710 3.0006 3.0006 3.3644 3.3644 3.9924 3.9924 4.7228 4.7228 4.9965 4.9965 6.2693 6.2693 6.3161 6.3161 6.5019 6.5019 6.5790 6.5790 7.2189 7.2189 7.2838 7.2838 7.6322 7.6322 7.8126 7.8126 7.8589 7.8589 14.4630 14.4630 17.3191 17.3191 18.5268 18.5268 19.3641 19.3641 19.4876 19.4876 k = 0.0674-0.0466-0.1199 ( 3099 PWs) bands (ev): -11.4085 -11.4085 -9.0990 -9.0990 -8.8500 -8.8500 -8.8470 -8.8470 -8.5125 -8.5125 -8.5119 -8.5119 0.9483 0.9483 1.6908 1.6908 2.1618 2.1618 2.6333 2.6333 2.9598 2.9598 3.3464 3.3464 4.0715 4.0715 4.7769 4.7769 5.0278 5.0278 6.2393 6.2393 6.2993 6.2993 6.4846 6.4846 6.5850 6.5850 7.1834 7.1834 7.2680 7.2680 7.5947 7.5947 7.8115 7.8115 7.8554 7.8554 14.5229 14.5229 17.3719 17.3719 18.4783 18.4783 19.3203 19.3203 19.4425 19.4425 k = 0.0749-0.0518-0.1332 ( 3101 PWs) bands (ev): -11.3933 -11.3933 -9.1041 -9.1041 -8.8565 -8.8565 -8.8544 -8.8544 -8.5171 -8.5171 -8.5163 -8.5163 0.9624 0.9624 1.6678 1.6678 2.1458 2.1458 2.6976 2.6976 2.9216 2.9216 3.3290 3.3290 4.1523 4.1523 4.8339 4.8339 5.0619 5.0619 6.2073 6.2073 6.2824 6.2824 6.4627 6.4627 6.5903 6.5903 7.1426 7.1426 7.2512 7.2512 7.5575 7.5575 7.8098 7.8098 7.8517 7.8517 14.5884 14.5884 17.4297 17.4297 18.4294 18.4294 19.2706 19.2706 19.3952 19.3952 k = 0.0824-0.0570-0.1465 ( 3099 PWs) bands (ev): -11.3765 -11.3765 -9.1111 -9.1111 -8.8654 -8.8654 -8.8590 -8.8590 -8.5225 -8.5225 -8.5211 -8.5211 0.9779 0.9779 1.6468 1.6468 2.1294 2.1294 2.7634 2.7634 2.8864 2.8864 3.3125 3.3125 4.2344 4.2344 4.8930 4.8930 5.0983 5.0983 6.1731 6.1731 6.2657 6.2657 6.4361 6.4361 6.5945 6.5945 7.0964 7.0964 7.2336 7.2336 7.5220 7.5220 7.8072 7.8072 7.8479 7.8479 14.6588 14.6588 17.4921 17.4921 18.3803 18.3803 19.2158 19.2158 19.3460 19.3460 k = 0.0899-0.0622-0.1598 ( 3095 PWs) bands (ev): -11.3582 -11.3582 -9.1202 -9.1202 -8.8754 -8.8754 -8.8620 -8.8620 -8.5286 -8.5286 -8.5262 -8.5262 0.9947 0.9947 1.6281 1.6281 2.1127 2.1127 2.8284 2.8284 2.8559 2.8559 3.2972 3.2972 4.3179 4.3179 4.9533 4.9533 5.1372 5.1372 6.1366 6.1366 6.2494 6.2494 6.4049 6.4049 6.5977 6.5977 7.0443 7.0443 7.2152 7.2152 7.4893 7.4893 7.8037 7.8037 7.8439 7.8439 14.7337 14.7337 17.5585 17.5585 18.3314 18.3314 19.1568 19.1568 19.2953 19.2953 k = 0.0973-0.0674-0.1731 ( 3097 PWs) bands (ev): -11.3384 -11.3384 -9.1316 -9.1316 -8.8863 -8.8863 -8.8632 -8.8632 -8.5353 -8.5353 -8.5318 -8.5318 1.0128 1.0128 1.6116 1.6116 2.0960 2.0960 2.8217 2.8217 2.9008 2.9008 3.2834 3.2834 4.4025 4.4025 5.0138 5.0138 5.1785 5.1785 6.0978 6.0978 6.2338 6.2338 6.3691 6.3691 6.5996 6.5996 6.9865 6.9865 7.1964 7.1964 7.4600 7.4600 7.7992 7.7992 7.8398 7.8398 14.8128 14.8128 17.6285 17.6285 18.2827 18.2827 19.0943 19.0943 19.2434 19.2434 k = 0.1048-0.0726-0.1864 ( 3099 PWs) bands (ev): -11.3171 -11.3171 -9.1453 -9.1453 -8.8979 -8.8979 -8.8626 -8.8626 -8.5426 -8.5426 -8.5377 -8.5377 1.0323 1.0323 1.5974 1.5974 2.0795 2.0795 2.7947 2.7947 2.9695 2.9695 3.2713 3.2713 4.4882 4.4882 5.0731 5.0731 5.2227 5.2227 6.0563 6.0563 6.2192 6.2192 6.3293 6.3293 6.6003 6.6003 6.9232 6.9232 7.1773 7.1773 7.4346 7.4346 7.7937 7.7937 7.8355 7.8355 14.8956 14.8956 17.7015 17.7015 18.2345 18.2345 19.0292 19.0292 19.1906 19.1906 k = 0.1123-0.0777-0.1998 ( 3100 PWs) bands (ev): -11.2943 -11.2943 -9.1613 -9.1613 -8.9103 -8.9103 -8.8603 -8.8603 -8.5506 -8.5506 -8.5440 -8.5440 1.0530 1.0530 1.5856 1.5856 2.0635 2.0635 2.7699 2.7699 3.0389 3.0389 3.2611 3.2611 4.5748 4.5748 5.1296 5.1296 5.2706 5.2706 6.0120 6.0120 6.2058 6.2058 6.2858 6.2858 6.5996 6.5996 6.8552 6.8552 7.1580 7.1580 7.4129 7.4129 7.7872 7.7872 7.8310 7.8310 14.9816 14.9816 17.7769 17.7769 18.1868 18.1868 18.9621 18.9621 19.1372 19.1372 k = 0.1198-0.0829-0.2131 ( 3096 PWs) bands (ev): -11.2701 -11.2701 -9.1796 -9.1796 -8.9233 -8.9233 -8.8562 -8.8562 -8.5593 -8.5593 -8.5507 -8.5507 1.0749 1.0749 1.5763 1.5763 2.0482 2.0482 2.7478 2.7478 3.1085 3.1085 3.2528 3.2528 4.6621 4.6621 5.1816 5.1816 5.3228 5.3228 5.9647 5.9647 6.1942 6.1942 6.2394 6.2394 6.5974 6.5974 6.7833 6.7833 7.1389 7.1389 7.3946 7.3946 7.7798 7.7798 7.8261 7.8261 15.0705 15.0705 17.8540 17.8540 18.1397 18.1397 18.8936 18.8936 19.0834 19.0834 k = 0.1273-0.0881-0.2264 ( 3098 PWs) bands (ev): -11.2444 -11.2444 -9.1999 -9.1999 -8.9370 -8.9370 -8.8505 -8.8505 -8.5685 -8.5685 -8.5578 -8.5578 1.0979 1.0979 1.5692 1.5692 2.0338 2.0338 2.7283 2.7283 3.1777 3.1777 3.2467 3.2467 4.7500 4.7500 5.2278 5.2278 5.3797 5.3797 5.9141 5.9141 6.1844 6.1844 6.1908 6.1908 6.5936 6.5936 6.7083 6.7083 7.1200 7.1200 7.3794 7.3794 7.7715 7.7715 7.8209 7.8209 15.1619 15.1619 17.9321 17.9321 18.0932 18.0932 18.8242 18.8242 19.0296 19.0296 k = 0.1348-0.0933-0.2397 ( 3098 PWs) bands (ev): -11.2173 -11.2173 -9.2220 -9.2220 -8.9513 -8.9513 -8.8433 -8.8433 -8.5784 -8.5784 -8.5652 -8.5652 1.1220 1.1220 1.5646 1.5646 2.0206 2.0206 2.7113 2.7113 3.2422 3.2422 3.2468 3.2468 4.8383 4.8383 5.2679 5.2679 5.4408 5.4408 5.8602 5.8602 6.1400 6.1400 6.1774 6.1774 6.5882 6.5882 6.6313 6.6313 7.1016 7.1016 7.3667 7.3667 7.7625 7.7625 7.8152 7.8152 15.2554 15.2554 18.0104 18.0104 18.0475 18.0475 18.7543 18.7543 18.9759 18.9759 k = 0.1423-0.0985-0.2530 ( 3102 PWs) bands (ev): -11.1888 -11.1888 -9.2457 -9.2457 -8.9663 -8.9663 -8.8348 -8.8348 -8.5889 -8.5889 -8.5729 -8.5729 1.1471 1.1471 1.5624 1.5624 2.0088 2.0088 2.6970 2.6970 3.2409 3.2409 3.3137 3.3137 4.9268 4.9268 5.3021 5.3021 5.5047 5.5047 5.8030 5.8030 6.0881 6.0881 6.1730 6.1730 6.5529 6.5529 6.5813 6.5813 7.0839 7.0839 7.3561 7.3561 7.7527 7.7527 7.8090 7.8090 15.3506 15.3506 18.0025 18.0025 18.0880 18.0880 18.6843 18.6843 18.9228 18.9228 k = 0.1498-0.1037-0.2663 ( 3102 PWs) bands (ev): -11.1589 -11.1589 -9.2708 -9.2708 -8.9817 -8.9817 -8.8252 -8.8252 -8.6000 -8.6000 -8.5810 -8.5810 1.1731 1.1731 1.5625 1.5625 1.9985 1.9985 2.6851 2.6851 3.2414 3.2414 3.3792 3.3792 5.0152 5.0152 5.3308 5.3308 5.5704 5.5704 5.7429 5.7429 6.0351 6.0351 6.1717 6.1717 6.4747 6.4747 6.5722 6.5722 7.0670 7.0670 7.3471 7.3471 7.7422 7.7422 7.8023 7.8023 15.4472 15.4472 17.9583 17.9583 18.1639 18.1639 18.6144 18.6144 18.8704 18.8704 k = 0.1572-0.1088-0.2797 ( 3100 PWs) bands (ev): -11.1278 -11.1278 -9.2971 -9.2971 -8.9977 -8.9977 -8.8146 -8.8146 -8.6116 -8.6116 -8.5894 -8.5894 1.1999 1.1999 1.5650 1.5650 1.9900 1.9900 2.6758 2.6758 3.2443 3.2443 3.4424 3.4424 5.1031 5.1031 5.3541 5.3541 5.6367 5.6367 5.6806 5.6806 5.9810 5.9810 6.1738 6.1738 6.3974 6.3974 6.5615 6.5615 7.0509 7.0509 7.3393 7.3393 7.7311 7.7311 7.7952 7.7952 15.5449 15.5449 17.9149 17.9149 18.2370 18.2370 18.5449 18.5449 18.8192 18.8192 k = 0.1647-0.1140-0.2930 ( 3100 PWs) bands (ev): -11.0953 -11.0953 -9.3245 -9.3245 -9.0142 -9.0142 -8.8031 -8.8031 -8.6237 -8.6237 -8.5981 -8.5981 1.2275 1.2275 1.5698 1.5698 1.9835 1.9835 2.6688 2.6688 3.2494 3.2494 3.5024 3.5024 5.1901 5.1901 5.3723 5.3723 5.6162 5.6162 5.7035 5.7035 5.9256 5.9256 6.1795 6.1795 6.3221 6.3221 6.5490 6.5490 7.0359 7.0359 7.3325 7.3325 7.7193 7.7193 7.7875 7.7875 15.6433 15.6433 17.8724 17.8724 18.3061 18.3061 18.4761 18.4761 18.7694 18.7694 k = 0.1722-0.1192-0.3063 ( 3094 PWs) bands (ev): -11.0616 -11.0616 -9.3528 -9.3528 -9.0311 -9.0311 -8.7909 -8.7909 -8.6363 -8.6363 -8.6070 -8.6070 1.2556 1.2556 1.5769 1.5769 1.9791 1.9791 2.6642 2.6642 3.2569 3.2569 3.5584 3.5584 5.2750 5.2750 5.3854 5.3854 5.5526 5.5526 5.7690 5.7690 5.8689 5.8689 6.1885 6.1885 6.2500 6.2500 6.5347 6.5347 7.0220 7.0220 7.3262 7.3262 7.7069 7.7069 7.7794 7.7794 15.7421 15.7421 17.8310 17.8310 18.3699 18.3699 18.4082 18.4082 18.7213 18.7213 k = 0.1797-0.1244-0.3196 ( 3094 PWs) bands (ev): -11.0266 -11.0266 -9.3818 -9.3818 -9.0484 -9.0484 -8.7780 -8.7780 -8.6493 -8.6493 -8.6162 -8.6162 1.2842 1.2842 1.5863 1.5863 1.9771 1.9771 2.6618 2.6618 3.2668 3.2668 3.6095 3.6095 5.3531 5.3531 5.3938 5.3938 5.4937 5.4937 5.8101 5.8101 5.8340 5.8340 6.1815 6.1815 6.2014 6.2014 6.5189 6.5189 7.0091 7.0091 7.3203 7.3203 7.6938 7.6938 7.7709 7.7709 15.8411 15.8411 17.7906 17.7906 18.3410 18.3410 18.4277 18.4277 18.6753 18.6753 k = 0.1872-0.1296-0.3329 ( 3086 PWs) bands (ev): -10.9905 -10.9905 -9.4115 -9.4115 -9.0661 -9.0661 -8.7646 -8.7646 -8.6627 -8.6627 -8.6257 -8.6257 1.3131 1.3131 1.5979 1.5979 1.9777 1.9777 2.6617 2.6617 3.2789 3.2789 3.6545 3.6545 5.3862 5.3862 5.3989 5.3989 5.4762 5.4762 5.7526 5.7526 5.8960 5.8960 6.1189 6.1189 6.2167 6.2167 6.5015 6.5015 6.9973 6.9973 7.3145 7.3145 7.6803 7.6803 7.7621 7.7621 15.9400 15.9400 17.7513 17.7513 18.2755 18.2755 18.4778 18.4778 18.6317 18.6317 k = 0.1947-0.1348-0.3462 ( 3088 PWs) bands (ev): -10.9532 -10.9532 -9.4417 -9.4417 -9.0841 -9.0841 -8.7509 -8.7509 -8.6764 -8.6764 -8.6354 -8.6354 1.3421 1.3421 1.6116 1.6116 1.9810 1.9810 2.6636 2.6636 3.2933 3.2933 3.6924 3.6924 5.3427 5.3427 5.3980 5.3980 5.5282 5.5282 5.7020 5.7020 5.9557 5.9557 6.0621 6.0621 6.2350 6.2350 6.4829 6.4829 6.9865 6.9865 7.3087 7.3087 7.6661 7.6661 7.7529 7.7529 16.0384 16.0384 17.7134 17.7134 18.2113 18.2113 18.5194 18.5194 18.5908 18.5908 k = 0.2022-0.1399-0.3596 ( 3088 PWs) bands (ev): -10.9148 -10.9148 -9.4722 -9.4722 -9.1023 -9.1023 -8.7369 -8.7369 -8.6903 -8.6903 -8.6452 -8.6452 1.3710 1.3710 1.6275 1.6275 1.9872 1.9872 2.6674 2.6674 3.3100 3.3100 3.7218 3.7218 5.2865 5.2865 5.3942 5.3942 5.5512 5.5512 5.6912 5.6912 6.0063 6.0063 6.0179 6.0179 6.2557 6.2557 6.4634 6.4634 6.9766 6.9766 7.3025 7.3025 7.6515 7.6515 7.7434 7.7434 16.1361 16.1361 17.6768 17.6768 18.1489 18.1489 18.5513 18.5513 18.5536 18.5536 k = 0.2097-0.1451-0.3729 ( 3088 PWs) bands (ev): -10.8754 -10.8754 -9.5031 -9.5031 -9.1208 -9.1208 -8.7239 -8.7239 -8.7032 -8.7032 -8.6553 -8.6553 1.3998 1.3998 1.6455 1.6455 1.9966 1.9966 2.6731 2.6731 3.3290 3.3290 3.7416 3.7416 5.2311 5.2311 5.3875 5.3875 5.5122 5.5122 5.7407 5.7407 5.9693 5.9693 6.0652 6.0652 6.2785 6.2785 6.4435 6.4435 6.9674 6.9674 7.2960 7.2960 7.6365 7.6365 7.7337 7.7337 16.2329 16.2329 17.6418 17.6418 18.0883 18.0883 18.5180 18.5180 18.5755 18.5755 k = 0.2172-0.1503-0.3862 ( 3084 PWs) bands (ev): -10.8350 -10.8350 -9.5342 -9.5342 -9.1395 -9.1395 -8.7236 -8.7236 -8.7035 -8.7035 -8.6655 -8.6655 1.4282 1.4282 1.6655 1.6655 2.0092 2.0092 2.6804 2.6804 3.3501 3.3501 3.7508 3.7508 5.1777 5.1777 5.3782 5.3782 5.4539 5.4539 5.8018 5.8018 5.9414 5.9414 6.1118 6.1118 6.3031 6.3031 6.4238 6.4238 6.9590 6.9590 7.2889 7.2889 7.6211 7.6211 7.7238 7.7238 16.3285 16.3285 17.6085 17.6085 18.0298 18.0298 18.4867 18.4867 18.5900 18.5900 k = 0.2246-0.1555-0.3995 ( 3088 PWs) bands (ev): -10.7936 -10.7936 -9.5655 -9.5655 -9.1583 -9.1583 -8.7369 -8.7369 -8.6902 -8.6902 -8.6759 -8.6759 1.4560 1.4560 1.6875 1.6875 2.0253 2.0253 2.6891 2.6891 3.3733 3.3733 3.7490 3.7490 5.1254 5.1254 5.3667 5.3667 5.3945 5.3945 5.8358 5.8358 5.9501 5.9501 6.1514 6.1514 6.3290 6.3290 6.4060 6.4060 6.9510 6.9510 7.2813 7.2813 7.6054 7.6054 7.7137 7.7137 16.4226 16.4226 17.5772 17.5772 17.9736 17.9736 18.4591 18.4591 18.5962 18.5962 k = 0.2321-0.1607-0.4128 ( 3090 PWs) bands (ev): -10.7513 -10.7513 -9.5967 -9.5967 -9.1772 -9.1772 -8.7518 -8.7518 -8.6864 -8.6864 -8.6755 -8.6755 1.4832 1.4832 1.7114 1.7114 2.0449 2.0449 2.6991 2.6991 3.3985 3.3985 3.7360 3.7360 5.0720 5.0720 5.3385 5.3385 5.3549 5.3549 5.8297 5.8297 6.0050 6.0050 6.1821 6.1821 6.3527 6.3527 6.3947 6.3947 6.9434 6.9434 7.2728 7.2728 7.5896 7.5896 7.7035 7.7035 16.5151 16.5151 17.5479 17.5479 17.9199 17.9199 18.4354 18.4354 18.5952 18.5952 k = 0.2396-0.1659-0.4261 ( 3094 PWs) bands (ev): -10.7081 -10.7081 -9.6279 -9.6279 -9.1961 -9.1961 -8.7671 -8.7671 -8.6970 -8.6970 -8.6605 -8.6605 1.5097 1.5097 1.7371 1.7371 2.0680 2.0680 2.7099 2.7099 3.4257 3.4257 3.7125 3.7125 5.0149 5.0149 5.2918 5.2918 5.3403 5.3403 5.8140 5.8140 6.0747 6.0747 6.2018 6.2018 6.3609 6.3609 6.4048 6.4048 6.9360 6.9360 7.2636 7.2636 7.5737 7.5737 7.6931 7.6931 16.6056 16.6056 17.5209 17.5209 17.8688 17.8688 18.4158 18.4158 18.5885 18.5885 k = 0.2471-0.1710-0.4395 ( 3094 PWs) bands (ev): -10.6642 -10.6642 -9.6590 -9.6590 -9.2151 -9.2151 -8.7826 -8.7826 -8.7076 -8.7076 -8.6454 -8.6454 1.5354 1.5354 1.7646 1.7646 2.0946 2.0946 2.7212 2.7212 3.4549 3.4549 3.6796 3.6796 4.9526 4.9526 5.2536 5.2536 5.3252 5.3252 5.8008 5.8008 6.1469 6.1469 6.2089 6.2089 6.3591 6.3591 6.4318 6.4318 6.9287 6.9287 7.2535 7.2535 7.5578 7.5578 7.6826 7.6826 16.6940 16.6940 17.4964 17.4964 17.8206 17.8206 18.4003 18.4003 18.5773 18.5773 k = 0.2546-0.1762-0.4528 ( 3094 PWs) bands (ev): -10.6195 -10.6195 -9.6899 -9.6899 -9.2341 -9.2341 -8.7982 -8.7982 -8.7183 -8.7183 -8.6305 -8.6305 1.5603 1.5603 1.7938 1.7938 2.1248 2.1248 2.7326 2.7326 3.4858 3.4858 3.6389 3.6389 4.8851 4.8851 5.2229 5.2229 5.3096 5.3096 5.7932 5.7932 6.2030 6.2030 6.2194 6.2194 6.3607 6.3607 6.4618 6.4618 6.9214 6.9214 7.2424 7.2424 7.5420 7.5420 7.6721 7.6721 16.7800 16.7800 17.4746 17.4746 17.7755 17.7755 18.3891 18.3891 18.5631 18.5631 k = 0.2621-0.1814-0.4661 ( 3092 PWs) bands (ev): -10.5742 -10.5742 -9.7205 -9.7205 -9.2529 -9.2529 -8.8138 -8.8138 -8.7291 -8.7291 -8.6157 -8.6157 1.5845 1.5845 1.8246 1.8246 2.1583 2.1583 2.7435 2.7435 3.5184 3.5184 3.5923 3.5923 4.8136 4.8136 5.1974 5.1974 5.2936 5.2936 5.7923 5.7923 6.1889 6.1889 6.2892 6.2892 6.3660 6.3660 6.4908 6.4908 6.9139 6.9139 7.2304 7.2304 7.5266 7.5266 7.6614 7.6614 16.8634 16.8634 17.4557 17.4557 17.7335 17.7335 18.3823 18.3823 18.5473 18.5473 k = 0.2696-0.1866-0.4794 ( 3088 PWs) bands (ev): -10.5282 -10.5282 -9.7508 -9.7508 -9.2717 -9.2717 -8.8295 -8.8295 -8.7398 -8.7398 -8.6011 -8.6011 1.6080 1.6080 1.8568 1.8568 2.1950 2.1950 2.7530 2.7530 3.5415 3.5415 3.5532 3.5532 4.7394 4.7394 5.1744 5.1744 5.2775 5.2775 5.7984 5.7984 6.1686 6.1686 6.3572 6.3572 6.3730 6.3730 6.5175 6.5175 6.9061 6.9061 7.2173 7.2173 7.5115 7.5115 7.6506 7.6506 16.9440 16.9440 17.4397 17.4397 17.6950 17.6950 18.3800 18.3800 18.5309 18.5309 k = 0.2771-0.1918-0.4927 ( 3084 PWs) bands (ev): -10.4818 -10.4818 -9.7807 -9.7807 -9.2903 -9.2903 -8.8452 -8.8452 -8.7505 -8.7505 -8.5869 -8.5869 1.6309 1.6309 1.8904 1.8904 2.2348 2.2348 2.7602 2.7602 3.4903 3.4903 3.5885 3.5885 4.6639 4.6639 5.1520 5.1520 5.2614 5.2614 5.8113 5.8113 6.1448 6.1448 6.3799 6.3799 6.4230 6.4230 6.5411 6.5411 6.8978 6.8978 7.2033 7.2033 7.4969 7.4969 7.6398 7.6398 17.0217 17.0217 17.4269 17.4269 17.6601 17.6601 18.3821 18.3821 18.5146 18.5146 k = 0.2845-0.1970-0.5060 ( 3082 PWs) bands (ev): -10.4349 -10.4349 -9.8102 -9.8102 -9.3087 -9.3087 -8.8608 -8.8608 -8.7612 -8.7612 -8.5730 -8.5730 1.6534 1.6534 1.9251 1.9251 2.2774 2.2774 2.7638 2.7638 3.4399 3.4399 3.6255 3.6255 4.5880 4.5880 5.1288 5.1288 5.2456 5.2456 5.8305 5.8305 6.1188 6.1188 6.3858 6.3858 6.4861 6.4861 6.5610 6.5610 6.8890 6.8890 7.1882 7.1882 7.4826 7.4826 7.6291 7.6291 17.0962 17.0962 17.4174 17.4174 17.6288 17.6288 18.3886 18.3886 18.4989 18.4989 k = 0.2920-0.2021-0.5194 ( 3082 PWs) bands (ev): -10.3876 -10.3876 -9.8391 -9.8391 -9.3269 -9.3269 -8.8764 -8.8764 -8.7717 -8.7717 -8.5595 -8.5595 1.6755 1.6755 1.9608 1.9608 2.3227 2.3227 2.7624 2.7624 3.3930 3.3930 3.6637 3.6637 4.5124 4.5124 5.1044 5.1044 5.2302 5.2302 5.8551 5.8551 6.0914 6.0914 6.3903 6.3903 6.5459 6.5459 6.5772 6.5772 6.8795 6.8795 7.1721 7.1721 7.4688 7.4688 7.6185 7.6185 17.1673 17.1673 17.4112 17.4112 17.6015 17.6015 18.3996 18.3996 18.4839 18.4839 k = 0.2995-0.2073-0.5327 ( 3086 PWs) bands (ev): -10.3401 -10.3401 -9.8675 -9.8675 -9.3448 -9.3448 -8.8918 -8.8918 -8.7822 -8.7822 -8.5465 -8.5465 1.6973 1.6973 1.9973 1.9973 2.3703 2.3703 2.7543 2.7543 3.3523 3.3523 3.7030 3.7030 4.4377 4.4377 5.0783 5.0783 5.2153 5.2153 5.8840 5.8840 6.0632 6.0632 6.3930 6.3930 6.5870 6.5870 6.6053 6.6053 6.8692 6.8692 7.1550 7.1550 7.4551 7.4551 7.6083 7.6083 17.2347 17.2347 17.4085 17.4085 17.5784 17.5784 18.4149 18.4149 18.4686 18.4686 k = 0.3070-0.2125-0.5460 ( 3078 PWs) bands (ev): -10.2923 -10.2923 -9.8952 -9.8952 -9.3624 -9.3624 -8.9071 -8.9071 -8.7926 -8.7926 -8.5341 -8.5341 1.7188 1.7188 2.0340 2.0340 2.4202 2.4202 2.7384 2.7384 3.3197 3.3197 3.7431 3.7431 4.3644 4.3644 5.0508 5.0508 5.2012 5.2012 5.9163 5.9163 6.0344 6.0344 6.3939 6.3939 6.5959 6.5959 6.6585 6.6585 6.8579 6.8579 7.1371 7.1371 7.4414 7.4414 7.5987 7.5987 17.2981 17.2981 17.4091 17.4091 17.5597 17.5597 18.4345 18.4345 18.4515 18.4515 k = 0.3145-0.2177-0.5593 ( 3076 PWs) bands (ev): -10.2445 -10.2445 -9.9222 -9.9222 -9.3796 -9.3796 -8.9222 -8.9222 -8.8028 -8.8028 -8.5222 -8.5222 1.7402 1.7402 2.0706 2.0706 2.4721 2.4721 2.7145 2.7145 3.2963 3.2963 3.7838 3.7838 4.2929 4.2929 5.0220 5.0220 5.1878 5.1878 5.9509 5.9509 6.0053 6.0053 6.3929 6.3929 6.6005 6.6005 6.7092 6.7092 6.8454 6.8454 7.1183 7.1183 7.4271 7.4271 7.5899 7.5899 17.3567 17.3567 17.4133 17.4133 17.5464 17.5464 18.4295 18.4295 18.4585 18.4585 k = 0.3220-0.2229-0.5726 ( 3078 PWs) bands (ev): -10.1967 -10.1967 -9.9485 -9.9485 -9.3964 -9.3964 -8.9371 -8.9371 -8.8128 -8.8128 -8.5111 -8.5111 1.7615 1.7615 2.1062 2.1062 2.5259 2.5259 2.6835 2.6835 3.2822 3.2822 3.8249 3.8249 4.2236 4.2236 4.9922 4.9922 5.1754 5.1754 5.9756 5.9756 5.9874 5.9874 6.3900 6.3900 6.6018 6.6018 6.7567 6.7567 6.8317 6.8317 7.0989 7.0989 7.4120 7.4120 7.5822 7.5822 17.4085 17.4085 17.4208 17.4208 17.5402 17.5402 18.4010 18.4010 18.4864 18.4864 k = 0.3295-0.2281-0.5860 ( 3076 PWs) bands (ev): -10.1491 -10.1491 -9.9739 -9.9739 -9.4129 -9.4129 -8.9517 -8.9517 -8.8227 -8.8227 -8.5006 -8.5006 1.7826 1.7826 2.1396 2.1396 2.5813 2.5813 2.6481 2.6481 3.2761 3.2761 3.8662 3.8662 4.1569 4.1569 4.9617 4.9617 5.1640 5.1640 5.9464 5.9464 6.0239 6.0239 6.3851 6.3851 6.6005 6.6005 6.8003 6.8003 6.8171 6.8171 7.0790 7.0790 7.3955 7.3955 7.5759 7.5759 17.4313 17.4313 17.4488 17.4488 17.5463 17.5463 18.3657 18.3657 18.5181 18.5181 k = 0.3370-0.2332-0.5993 ( 3078 PWs) bands (ev): -10.1020 -10.1020 -9.9981 -9.9981 -9.4289 -9.4289 -8.9661 -8.9661 -8.8323 -8.8323 -8.4909 -8.4909 1.8036 1.8036 2.1687 2.1687 2.6117 2.6117 2.6384 2.6384 3.2762 3.2762 3.9074 3.9074 4.0932 4.0932 4.9307 4.9307 5.1538 5.1538 5.9170 5.9170 6.0607 6.0607 6.3782 6.3782 6.5971 6.5971 6.7998 6.7998 6.8418 6.8418 7.0589 7.0589 7.3773 7.3773 7.5711 7.5711 17.4452 17.4452 17.4711 17.4711 17.5704 17.5704 18.3257 18.3257 18.5535 18.5535 k = 0.3445-0.2384-0.6126 ( 3084 PWs) bands (ev): -10.0579 -10.0579 -10.0187 -10.0187 -9.4444 -9.4444 -8.9802 -8.9802 -8.8417 -8.8417 -8.4819 -8.4819 1.8245 1.8245 2.1905 2.1905 2.5798 2.5798 2.6967 2.6967 3.2805 3.2805 3.9481 3.9481 4.0329 4.0329 4.8995 4.8995 5.1448 5.1448 5.8877 5.8877 6.0968 6.0968 6.3693 6.3693 6.5923 6.5923 6.7821 6.7821 6.8785 6.8785 7.0389 7.0389 7.3572 7.3572 7.5678 7.5678 17.4621 17.4621 17.4807 17.4807 17.6075 17.6075 18.2837 18.2837 18.5923 18.5923 k = 0.3519-0.2436-0.6259 ( 3092 PWs) bands (ev): -10.0507 -10.0507 -10.0020 -10.0020 -9.4593 -9.4593 -8.9941 -8.9941 -8.8508 -8.8508 -8.4738 -8.4738 1.8451 1.8451 2.2004 2.2004 2.5579 2.5579 2.7562 2.7562 3.2870 3.2870 3.9762 3.9762 3.9883 3.9883 4.8685 4.8685 5.1372 5.1372 5.8586 5.8586 6.1317 6.1317 6.3584 6.3584 6.5864 6.5864 6.7630 6.7630 6.9110 6.9110 7.0199 7.0199 7.3350 7.3350 7.5660 7.5660 17.4817 17.4817 17.4865 17.4865 17.6484 17.6484 18.2417 18.2417 18.6341 18.6341 k = 0.3594-0.2488-0.6392 ( 3094 PWs) bands (ev): -10.0707 -10.0707 -9.9577 -9.9577 -9.4738 -9.4738 -9.0076 -9.0076 -8.8596 -8.8596 -8.4665 -8.4665 1.8655 1.8655 2.1947 2.1947 2.5512 2.5512 2.8168 2.8168 3.2942 3.2942 3.9245 3.9245 4.0267 4.0267 4.8377 4.8377 5.1311 5.1311 5.8298 5.8298 6.1650 6.1650 6.3457 6.3457 6.5799 6.5799 6.7429 6.7429 6.9374 6.9374 7.0041 7.0041 7.3107 7.3107 7.5654 7.5654 17.4923 17.4923 17.5039 17.5039 17.6886 17.6886 18.2013 18.2013 18.6647 18.6647 k = 0.3669-0.2540-0.6525 ( 3092 PWs) bands (ev): -10.0914 -10.0914 -9.9123 -9.9123 -9.4876 -9.4876 -9.0208 -9.0208 -8.8680 -8.8680 -8.4601 -8.4601 1.8856 1.8856 2.1732 2.1732 2.5609 2.5609 2.8784 2.8784 3.3003 3.3003 3.8776 3.8776 4.0636 4.0636 4.8076 4.8076 5.1267 5.1267 5.8014 5.8014 6.1960 6.1960 6.3313 6.3313 6.5733 6.5733 6.7219 6.7219 6.9504 6.9504 6.9992 6.9992 7.2845 7.2845 7.5659 7.5659 17.4994 17.4994 17.5283 17.5283 17.7263 17.7263 18.1642 18.1642 18.6937 18.6937 k = 0.6331 0.0080-0.4734 ( 3092 PWs) bands (ev): -10.0914 -10.0914 -9.9123 -9.9123 -9.4876 -9.4876 -9.0208 -9.0208 -8.8680 -8.8680 -8.4601 -8.4601 1.8856 1.8856 2.1732 2.1732 2.5609 2.5609 2.8784 2.8784 3.3003 3.3003 3.8776 3.8776 4.0636 4.0636 4.8076 4.8076 5.1267 5.1267 5.8014 5.8014 6.1960 6.1960 6.3313 6.3313 6.5733 6.5733 6.7219 6.7219 6.9504 6.9504 6.9992 6.9992 7.2845 7.2845 7.5659 7.5659 17.4994 17.4994 17.5283 17.5283 17.7263 17.7263 18.1642 18.1642 18.6937 18.6937 k = 0.6257 0.0221-0.4734 ( 3094 PWs) bands (ev): -10.1112 -10.1112 -9.8679 -9.8679 -9.5007 -9.5007 -9.0336 -9.0336 -8.8761 -8.8761 -8.4546 -8.4546 1.9050 1.9050 2.1400 2.1400 2.5836 2.5836 2.9399 2.9399 3.3040 3.3040 3.8367 3.8367 4.0980 4.0980 4.7788 4.7788 5.1241 5.1241 5.7740 5.7740 6.2240 6.2240 6.3155 6.3155 6.5669 6.5669 6.7005 6.7005 6.9444 6.9444 7.0110 7.0110 7.2568 7.2568 7.5671 7.5671 17.5078 17.5078 17.5543 17.5543 17.7595 17.7595 18.1323 18.1323 18.7261 18.7261 k = 0.6183 0.0362-0.4734 ( 3090 PWs) bands (ev): -10.1301 -10.1301 -9.8243 -9.8243 -9.5132 -9.5132 -9.0460 -9.0460 -8.8838 -8.8838 -8.4500 -8.4500 1.9240 1.9240 2.0996 2.0996 2.6151 2.6151 3.0022 3.0022 3.3044 3.3044 3.8016 3.8016 4.1298 4.1298 4.7510 4.7510 5.1233 5.1233 5.7472 5.7472 6.2490 6.2490 6.2986 6.2986 6.5608 6.5608 6.6787 6.6787 6.9313 6.9313 7.0285 7.0285 7.2275 7.2275 7.5690 7.5690 17.5175 17.5175 17.5819 17.5819 17.7869 17.7869 18.1074 18.1074 18.7619 18.7619 k = 0.6109 0.0503-0.4734 ( 3094 PWs) bands (ev): -10.1480 -10.1480 -9.7815 -9.7815 -9.5250 -9.5250 -9.0581 -9.0581 -8.8911 -8.8911 -8.4462 -8.4462 1.9424 1.9424 2.0557 2.0557 2.6523 2.6523 3.0649 3.0649 3.3008 3.3008 3.7725 3.7725 4.1583 4.1583 4.7246 4.7246 5.1245 5.1245 5.7213 5.7213 6.2692 6.2692 6.2818 6.2818 6.5551 6.5551 6.6569 6.6569 6.9177 6.9177 7.0454 7.0454 7.1969 7.1969 7.5712 7.5712 17.5281 17.5281 17.6108 17.6108 17.8062 17.8062 18.0920 18.0920 18.8003 18.8003 k = 0.6035 0.0645-0.4734 ( 3094 PWs) bands (ev): -10.1649 -10.1649 -9.7398 -9.7398 -9.5362 -9.5362 -9.0699 -9.0699 -8.8981 -8.8981 -8.4432 -8.4432 1.9602 1.9602 2.0105 2.0105 2.6930 2.6930 3.1281 3.1281 3.2929 3.2929 3.7490 3.7490 4.1831 4.1831 4.6998 4.6998 5.1279 5.1279 5.6964 5.6964 6.2601 6.2601 6.2900 6.2900 6.5500 6.5500 6.6352 6.6352 6.9056 6.9056 7.0603 7.0603 7.1651 7.1651 7.5736 7.5736 17.5393 17.5393 17.6406 17.6406 17.8155 17.8155 18.0884 18.0884 18.8410 18.8410 k = 0.5961 0.0786-0.4734 ( 3098 PWs) bands (ev): -10.1808 -10.1808 -9.6994 -9.6994 -9.5467 -9.5467 -9.0815 -9.0815 -8.9046 -8.9046 -8.4409 -8.4409 1.9656 1.9656 1.9773 1.9773 2.7358 2.7358 3.1915 3.1915 3.2809 3.2809 3.7305 3.7305 4.2035 4.2035 4.6769 4.6769 5.1335 5.1335 5.6727 5.6727 6.2407 6.2407 6.3038 6.3038 6.5454 6.5454 6.6141 6.6141 6.8957 6.8957 7.0727 7.0727 7.1327 7.1327 7.5762 7.5762 17.5506 17.5506 17.6708 17.6708 17.8147 17.8147 18.0969 18.0969 18.8833 18.8833 k = 0.5887 0.0927-0.4734 ( 3094 PWs) bands (ev): -10.1956 -10.1956 -9.6603 -9.6603 -9.5565 -9.5565 -9.0927 -9.0927 -8.9108 -8.9108 -8.4394 -8.4394 1.9221 1.9221 1.9935 1.9935 2.7797 2.7797 3.2548 3.2548 3.2658 3.2658 3.7158 3.7158 4.2191 4.2191 4.6561 4.6561 5.1413 5.1413 5.6504 5.6504 6.2207 6.2207 6.3140 6.3140 6.5413 6.5413 6.5939 6.5939 6.8885 6.8885 7.0816 7.0816 7.1010 7.1010 7.5788 7.5788 17.5616 17.5616 17.7012 17.7012 17.8063 17.8063 18.1153 18.1153 18.9266 18.9266 k = 0.5813 0.1068-0.4734 ( 3092 PWs) bands (ev): -10.2093 -10.2093 -9.6227 -9.6227 -9.5656 -9.5656 -9.1037 -9.1037 -8.9165 -8.9165 -8.4386 -8.4386 1.8807 1.8807 2.0088 2.0088 2.8241 2.8241 3.2483 3.2483 3.3183 3.3183 3.7036 3.7036 4.2294 4.2294 4.6377 4.6377 5.1512 5.1512 5.6295 5.6295 6.2006 6.2006 6.3203 6.3203 6.5377 6.5377 6.5750 6.5750 6.8842 6.8842 7.0638 7.0638 7.0936 7.0936 7.5813 7.5813 17.5716 17.5716 17.7312 17.7312 17.7937 17.7937 18.1404 18.1404 18.9703 18.9703 k = 0.5739 0.1209-0.4734 ( 3090 PWs) bands (ev): -10.2218 -10.2218 -9.5869 -9.5869 -9.5739 -9.5739 -9.1144 -9.1144 -8.9217 -8.9217 -8.4383 -8.4383 1.8418 1.8418 2.0231 2.0231 2.8682 2.8682 3.2298 3.2298 3.3814 3.3814 3.6926 3.6926 4.2340 4.2340 4.6217 4.6217 5.1632 5.1632 5.6103 5.6103 6.1806 6.1806 6.3231 6.3231 6.5338 6.5338 6.5583 6.5583 6.8826 6.8826 7.0312 7.0312 7.0991 7.0991 7.5836 7.5836 17.5802 17.5802 17.7605 17.7605 17.7798 17.7798 18.1692 18.1692 19.0137 19.0137 k = 0.5665 0.1350-0.4734 ( 3090 PWs) bands (ev): -10.2333 -10.2333 -9.5815 -9.5815 -9.5528 -9.5528 -9.1249 -9.1249 -8.9265 -8.9265 -8.4385 -8.4385 1.8058 1.8058 2.0364 2.0364 2.9115 2.9115 3.2114 3.2114 3.4441 3.4441 3.6818 3.6818 4.2328 4.2328 4.6081 4.6081 5.1769 5.1769 5.5928 5.5928 6.1609 6.1609 6.3227 6.3227 6.5279 6.5279 6.5460 6.5460 6.8836 6.8836 6.9984 6.9984 7.1034 7.1034 7.5859 7.5859 17.5868 17.5868 17.7666 17.7666 17.7887 17.7887 18.1998 18.1998 19.0560 19.0560 k = 0.5591 0.1491-0.4734 ( 3088 PWs) bands (ev): -10.2435 -10.2435 -9.5884 -9.5884 -9.5209 -9.5209 -9.1352 -9.1352 -8.9309 -8.9309 -8.4392 -8.4392 1.7730 1.7730 2.0485 2.0485 2.9533 2.9533 3.1940 3.1940 3.5061 3.5061 3.6702 3.6702 4.2258 4.2258 4.5971 4.5971 5.1920 5.1920 5.5770 5.5770 6.1419 6.1419 6.3199 6.3199 6.5176 6.5176 6.5405 6.5405 6.8866 6.8866 6.9665 6.9665 7.1061 7.1061 7.5879 7.5879 17.5910 17.5910 17.7556 17.7556 17.8153 17.8153 18.2307 18.2307 19.0963 19.0963 k = 0.5518 0.1632-0.4734 ( 3090 PWs) bands (ev): -10.2526 -10.2526 -9.5945 -9.5945 -9.4911 -9.4911 -9.1453 -9.1453 -8.9347 -8.9347 -8.4401 -8.4401 1.7437 1.7437 2.0593 2.0593 2.9925 2.9925 3.1789 3.1789 3.5671 3.5671 3.6577 3.6577 4.2130 4.2130 4.5884 4.5884 5.2078 5.2078 5.5632 5.5632 6.1239 6.1239 6.3152 6.3152 6.5060 6.5060 6.5389 6.5389 6.8913 6.8913 6.9359 6.9359 7.1075 7.1075 7.5897 7.5897 17.5927 17.5927 17.7474 17.7474 17.8399 17.8399 18.2607 18.2607 19.1339 19.1339 k = 0.5444 0.1773-0.4734 ( 3082 PWs) bands (ev): -10.2605 -10.2605 -9.5997 -9.5997 -9.4638 -9.4638 -9.1550 -9.1550 -8.9380 -8.9380 -8.4412 -8.4412 1.7180 1.7180 2.0689 2.0689 3.0273 3.0273 3.1677 3.1677 3.6268 3.6268 3.6440 3.6440 4.1948 4.1948 4.5817 4.5817 5.2237 5.2237 5.5511 5.5511 6.1072 6.1072 6.3095 6.3095 6.4951 6.4951 6.5391 6.5391 6.8964 6.8964 6.9078 6.9078 7.1077 7.1077 7.5913 7.5913 17.5921 17.5921 17.7420 17.7420 17.8621 17.8621 18.2889 18.2889 19.1677 19.1678 k = 0.5370 0.1914-0.4734 ( 3090 PWs) bands (ev): -10.2672 -10.2672 -9.6042 -9.6042 -9.4394 -9.4394 -9.1643 -9.1643 -8.9409 -8.9409 -8.4424 -8.4424 1.6960 1.6960 2.0770 2.0770 3.0550 3.0550 3.1629 3.1629 3.6292 3.6292 3.6851 3.6851 4.1715 4.1715 4.5769 4.5769 5.2391 5.2391 5.5408 5.5408 6.0921 6.0921 6.3034 6.3034 6.4858 6.4858 6.5403 6.5403 6.8805 6.8805 6.9037 6.9037 7.1071 7.1071 7.5926 7.5926 17.5898 17.5898 17.7390 17.7390 17.8816 17.8816 18.3144 18.3144 19.1769 19.1769 k = 0.5296 0.2056-0.4734 ( 3088 PWs) bands (ev): -10.2727 -10.2727 -9.6079 -9.6079 -9.4180 -9.4180 -9.1729 -9.1729 -8.9432 -8.9432 -8.4435 -8.4435 1.6779 1.6779 2.0838 2.0838 3.0721 3.0721 3.1672 3.1672 3.6143 3.6143 3.7410 3.7410 4.1439 4.1439 4.5736 4.5736 5.2531 5.2531 5.5324 5.5324 6.0791 6.0791 6.2975 6.2975 6.4783 6.4783 6.5421 6.5421 6.8577 6.8577 6.9096 6.9096 7.1060 7.1060 7.5937 7.5937 17.5866 17.5866 17.7378 17.7378 17.8980 17.8980 18.3365 18.3365 19.1622 19.1622 k = 0.5222 0.2197-0.4734 ( 3084 PWs) bands (ev): -10.2770 -10.2770 -9.6108 -9.6108 -9.4003 -9.4003 -9.1806 -9.1806 -8.9451 -8.9451 -8.4445 -8.4445 1.6637 1.6637 2.0891 2.0891 3.0788 3.0788 3.1797 3.1797 3.6003 3.6003 3.7937 3.7937 4.1130 4.1130 4.5714 4.5714 5.2651 5.2651 5.5257 5.5257 6.0684 6.0684 6.2923 6.2923 6.4724 6.4724 6.5442 6.5442 6.8388 6.8388 6.9150 6.9150 7.1046 7.1046 7.5946 7.5946 17.5833 17.5833 17.7376 17.7376 17.9111 17.9111 18.3545 18.3545 19.1499 19.1499 k = 0.5148 0.2338-0.4734 ( 3092 PWs) bands (ev): -10.2801 -10.2801 -9.6128 -9.6128 -9.3869 -9.3869 -9.1867 -9.1867 -8.9464 -8.9464 -8.4453 -8.4453 1.6535 1.6535 2.0929 2.0929 3.0797 3.0797 3.1940 3.1940 3.5885 3.5885 3.8413 3.8413 4.0808 4.0808 4.5701 4.5701 5.2743 5.2743 5.5209 5.5209 6.0605 6.0605 6.2883 6.2883 6.4683 6.4683 6.5462 6.5462 6.8244 6.8244 6.9192 6.9192 7.1033 7.1033 7.5952 7.5952 17.5805 17.5805 17.7378 17.7378 17.9206 17.9206 18.3679 18.3679 19.1408 19.1408 k = 0.5074 0.2479-0.4734 ( 3088 PWs) bands (ev): -10.2819 -10.2819 -9.6140 -9.6140 -9.3785 -9.3785 -9.1908 -9.1908 -8.9471 -8.9471 -8.4458 -8.4458 1.6474 1.6474 2.0953 2.0953 3.0790 3.0790 3.2047 3.2047 3.5806 3.5806 3.8791 3.8791 4.0523 4.0523 4.5694 4.5694 5.2800 5.2800 5.5179 5.5179 6.0557 6.0557 6.2858 6.2858 6.4659 6.4659 6.5475 6.5475 6.8155 6.8155 6.9219 6.9219 7.1025 7.1025 7.5955 7.5955 17.5787 17.5787 17.7381 17.7381 17.9264 17.9264 18.3761 18.3761 19.1353 19.1353 k = 0.5000 0.2620-0.4734 ( 3078 PWs) bands (ev): -10.2825 -10.2825 -9.6145 -9.6145 -9.3756 -9.3756 -9.1922 -9.1922 -8.9474 -8.9474 -8.4460 -8.4460 1.6454 1.6454 2.0960 2.0960 3.0786 3.0786 3.2087 3.2087 3.5778 3.5778 3.8951 3.8951 4.0394 4.0394 4.5692 4.5692 5.2820 5.2820 5.5170 5.5170 6.0541 6.0541 6.2849 6.2849 6.4651 6.4651 6.5480 6.5480 6.8125 6.8125 6.9229 6.9229 7.1022 7.1022 7.5957 7.5957 17.5781 17.5781 17.7382 17.7382 17.9283 17.9283 18.3788 18.3788 19.1334 19.1334 k = 0.5000 0.2620-0.4734 ( 3078 PWs) bands (ev): -10.2825 -10.2825 -9.6145 -9.6145 -9.3756 -9.3756 -9.1922 -9.1922 -8.9474 -8.9474 -8.4460 -8.4460 1.6454 1.6454 2.0960 2.0960 3.0786 3.0786 3.2087 3.2087 3.5778 3.5778 3.8951 3.8951 4.0394 4.0394 4.5692 4.5692 5.2820 5.2820 5.5170 5.5170 6.0541 6.0541 6.2849 6.2849 6.4651 6.4651 6.5480 6.5480 6.8125 6.8125 6.9229 6.9229 7.1022 7.1022 7.5957 7.5957 17.5781 17.5781 17.7382 17.7382 17.9283 17.9283 18.3788 18.3788 19.1334 19.1334 k = 0.5089 0.2666-0.4614 ( 3084 PWs) bands (ev): -10.2819 -10.2819 -9.6140 -9.6140 -9.3801 -9.3801 -9.1918 -9.1918 -8.9440 -8.9440 -8.4461 -8.4461 1.6448 1.6448 2.0977 2.0977 3.0756 3.0756 3.2074 3.2074 3.5795 3.5795 3.8969 3.8969 4.0394 4.0394 4.5698 4.5698 5.2815 5.2815 5.5174 5.5174 6.0537 6.0537 6.2851 6.2851 6.4640 6.4640 6.5478 6.5478 6.8123 6.8123 6.9239 6.9239 7.1019 7.1019 7.5947 7.5947 17.5800 17.5800 17.7393 17.7393 17.9297 17.9297 18.3746 18.3746 19.1405 19.1405 k = 0.5177 0.2713-0.4495 ( 3081 PWs) bands (ev): -10.2800 -10.2800 -9.6127 -9.6127 -9.3932 -9.3932 -9.1908 -9.1908 -8.9343 -8.9343 -8.4467 -8.4467 1.6432 1.6432 2.1029 2.1029 3.0666 3.0666 3.2035 3.2035 3.5845 3.5845 3.9022 3.9022 4.0396 4.0396 4.5714 4.5714 5.2801 5.2801 5.5188 5.5188 6.0527 6.0527 6.2852 6.2852 6.4605 6.4605 6.5476 6.5476 6.8118 6.8118 6.9269 6.9269 7.1009 7.1009 7.5918 7.5918 17.5860 17.5860 17.7426 17.7426 17.9338 17.9338 18.3627 18.3627 19.1612 19.1612 k = 0.5266 0.2759-0.4375 ( 3087 PWs) bands (ev): -10.2769 -10.2769 -9.6106 -9.6106 -9.4137 -9.4137 -9.1890 -9.1890 -8.9192 -8.9192 -8.4476 -8.4476 1.6405 1.6405 2.1115 2.1115 3.0519 3.0519 3.1973 3.1973 3.5929 3.5929 3.9106 3.9106 4.0398 4.0398 4.5745 4.5745 5.2778 5.2778 5.5210 5.5210 6.0511 6.0511 6.2845 6.2845 6.4540 6.4540 6.5491 6.5491 6.8111 6.8111 6.9318 6.9318 7.0993 7.0993 7.5869 7.5869 17.5958 17.5958 17.7477 17.7477 17.9406 17.9406 18.3449 18.3449 19.1448 19.1448 k = 0.5355 0.2806-0.4256 ( 3083 PWs) bands (ev): -10.2726 -10.2726 -9.6075 -9.6075 -9.4404 -9.4404 -9.1865 -9.1865 -8.9003 -8.9003 -8.4488 -8.4488 1.6368 1.6368 2.1235 2.1235 3.0318 3.0318 3.1889 3.1889 3.6045 3.6045 3.9217 3.9217 4.0395 4.0395 4.5793 4.5793 5.2747 5.2747 5.5236 5.5236 6.0492 6.0492 6.2814 6.2814 6.4447 6.4447 6.5536 6.5536 6.8101 6.8101 6.9385 6.9385 7.0966 7.0966 7.5801 7.5801 17.6094 17.6094 17.7543 17.7543 17.9500 17.9500 18.3237 18.3237 19.0829 19.0829 k = 0.5444 0.2852-0.4136 ( 3084 PWs) bands (ev): -10.2670 -10.2670 -9.6037 -9.6037 -9.4720 -9.4720 -9.1833 -9.1833 -8.8786 -8.8786 -8.4504 -8.4504 1.6323 1.6323 2.1389 2.1389 3.0068 3.0068 3.1783 3.1783 3.6192 3.6192 3.9348 3.9348 4.0386 4.0386 4.5866 4.5866 5.2708 5.2708 5.5264 5.5264 6.0471 6.0471 6.2735 6.2735 6.4347 6.4347 6.5619 6.5619 6.8091 6.8091 6.9469 6.9469 7.0929 7.0929 7.5712 7.5712 17.6267 17.6267 17.7615 17.7615 17.9620 17.9620 18.3015 18.3015 19.0179 19.0179 k = 0.5532 0.2899-0.4017 ( 3087 PWs) bands (ev): -10.2603 -10.2603 -9.5989 -9.5989 -9.5073 -9.5073 -9.1793 -9.1793 -8.8554 -8.8554 -8.4522 -8.4522 1.6270 1.6270 2.1577 2.1577 2.9774 2.9774 3.1657 3.1657 3.6366 3.6366 3.9495 3.9495 4.0367 4.0367 4.5967 4.5967 5.2663 5.2663 5.5291 5.5291 6.0452 6.0452 6.2578 6.2578 6.4274 6.4274 6.5736 6.5736 6.8080 6.8080 6.9568 6.9568 7.0878 7.0878 7.5604 7.5604 17.6475 17.6475 17.7686 17.7686 17.9766 17.9766 18.2809 18.2809 18.9507 18.9507 k = 0.5621 0.2945-0.3898 ( 3091 PWs) bands (ev): -10.2523 -10.2523 -9.5934 -9.5934 -9.5456 -9.5456 -9.1747 -9.1747 -8.8313 -8.8313 -8.4544 -8.4544 1.6210 1.6210 2.1798 2.1798 2.9442 2.9442 3.1512 3.1512 3.6564 3.6564 3.9650 3.9650 4.0339 4.0339 4.6102 4.6102 5.2613 5.2613 5.5311 5.5311 6.0437 6.0437 6.2324 6.2324 6.4253 6.4253 6.5885 6.5885 6.8069 6.8069 6.9680 6.9680 7.0813 7.0813 7.5477 7.5477 17.6717 17.6717 17.7745 17.7745 17.9935 17.9935 18.2642 18.2642 18.8821 18.8821 k = 0.5710 0.2992-0.3778 ( 3093 PWs) bands (ev): -10.2431 -10.2431 -9.5870 -9.5870 -9.5861 -9.5861 -9.1694 -9.1694 -8.8070 -8.8070 -8.4569 -8.4569 1.6145 1.6145 2.2053 2.2053 2.9077 2.9077 3.1348 3.1348 3.6778 3.6778 3.9809 3.9809 4.0302 4.0302 4.6274 4.6274 5.2558 5.2558 5.5321 5.5321 6.0430 6.0430 6.1977 6.1977 6.4288 6.4288 6.6060 6.6060 6.8059 6.8059 6.9804 6.9804 7.0732 7.0732 7.5329 7.5329 17.6988 17.6988 17.7781 17.7781 18.0127 18.0127 18.2533 18.2533 18.8124 18.8124 k = 0.5799 0.3038-0.3659 ( 3091 PWs) bands (ev): -10.2327 -10.2327 -9.6287 -9.6287 -9.5797 -9.5797 -9.1634 -9.1634 -8.7829 -8.7829 -8.4596 -8.4596 1.6077 1.6077 2.2342 2.2342 2.8685 2.8685 3.1165 3.1165 3.6999 3.6999 3.9966 3.9966 4.0266 4.0266 4.6486 4.6486 5.2499 5.2499 5.5316 5.5316 6.0434 6.0434 6.1552 6.1552 6.4367 6.4367 6.6257 6.6257 6.8050 6.8050 6.9939 6.9939 7.0636 7.0636 7.5163 7.5163 17.7286 17.7286 17.7785 17.7785 18.0341 18.0341 18.2498 18.2498 18.7422 18.7422 k = 0.5887 0.3085-0.3539 ( 3094 PWs) bands (ev): -10.2212 -10.2212 -9.6727 -9.6727 -9.5717 -9.5717 -9.1568 -9.1568 -8.7594 -8.7594 -8.4626 -8.4626 1.6006 1.6006 2.2663 2.2663 2.8270 2.8270 3.0963 3.0963 3.7212 3.7212 4.0117 4.0117 4.0244 4.0244 4.6737 4.6737 5.2437 5.2437 5.5294 5.5294 6.0452 6.0452 6.1068 6.1068 6.4477 6.4477 6.6473 6.6473 6.8043 6.8043 7.0084 7.0084 7.0525 7.0525 7.4978 7.4978 17.7604 17.7604 17.7753 17.7753 18.0575 18.0575 18.2544 18.2544 18.6720 18.6720 k = 0.5976 0.3131-0.3420 ( 3096 PWs) bands (ev): -10.2085 -10.2085 -9.7179 -9.7179 -9.5629 -9.5629 -9.1495 -9.1495 -8.7368 -8.7368 -8.4657 -8.4657 1.5935 1.5935 2.3017 2.3017 2.7836 2.7836 3.0743 3.0743 3.7393 3.7393 4.0255 4.0255 4.0261 4.0261 4.7027 4.7027 5.2370 5.2370 5.5253 5.5253 6.0476 6.0476 6.0550 6.0550 6.4608 6.4608 6.6703 6.6703 6.8038 6.8038 7.0235 7.0235 7.0401 7.0401 7.4775 7.4775 17.7686 17.7686 17.7935 17.7935 18.0825 18.0825 18.2673 18.2673 18.6026 18.6026 k = 0.6065 0.3178-0.3300 ( 3092 PWs) bands (ev): -10.1947 -10.1947 -9.7641 -9.7641 -9.5533 -9.5533 -9.1415 -9.1415 -8.7152 -8.7152 -8.4689 -8.4689 1.5865 1.5865 2.3404 2.3404 2.7388 2.7388 3.0506 3.0506 3.7516 3.7516 4.0339 4.0339 4.0384 4.0384 4.7350 4.7350 5.2298 5.2298 5.5191 5.5191 5.9981 5.9981 6.0538 6.0538 6.4750 6.4750 6.6945 6.6945 6.8035 6.8035 7.0251 7.0251 7.0409 7.0409 7.4557 7.4557 17.7593 17.7593 17.8265 17.8265 18.1091 18.1091 18.2878 18.2878 18.5350 18.5350 k = 0.6153 0.3224-0.3181 ( 3099 PWs) bands (ev): -10.1797 -10.1797 -9.8111 -9.8111 -9.5430 -9.5430 -9.1329 -9.1329 -8.6949 -8.6949 -8.4721 -8.4721 1.5796 1.5796 2.3823 2.3823 2.6928 2.6928 3.0251 3.0251 3.7558 3.7558 4.0492 4.0492 4.0511 4.0511 4.7703 4.7703 5.2218 5.2218 5.5108 5.5108 5.9406 5.9406 6.0606 6.0606 6.4896 6.4896 6.7193 6.7193 6.8035 6.8035 7.0106 7.0106 7.0575 7.0575 7.4324 7.4324 17.7482 17.7482 17.8574 17.8574 18.1369 18.1369 18.3150 18.3150 18.4713 18.4713 k = 0.6242 0.3271-0.3061 ( 3097 PWs) bands (ev): -10.1637 -10.1637 -9.8587 -9.8587 -9.5319 -9.5319 -9.1237 -9.1237 -8.6761 -8.6761 -8.4752 -8.4752 1.5732 1.5732 2.4274 2.4274 2.6458 2.6458 2.9979 2.9979 3.7509 3.7509 4.0581 4.0581 4.0781 4.0781 4.8080 4.8080 5.2128 5.2128 5.5008 5.5008 5.8824 5.8824 6.0690 6.0690 6.5041 6.5041 6.7443 6.7443 6.8038 6.8038 6.9954 6.9954 7.0750 7.0750 7.4081 7.4081 17.7365 17.7365 17.8830 17.8830 18.1656 18.1656 18.3479 18.3479 18.4143 18.4143 k = 0.6331 0.3317-0.2942 ( 3099 PWs) bands (ev): -10.1466 -10.1466 -9.9067 -9.9067 -9.5201 -9.5201 -9.1139 -9.1139 -8.6589 -8.6589 -8.4782 -8.4782 1.5673 1.5673 2.4757 2.4757 2.5982 2.5982 2.9691 2.9691 3.7379 3.7379 4.0644 4.0644 4.1147 4.1147 4.8474 4.8474 5.2022 5.2022 5.4893 5.4893 5.8247 5.8247 6.0789 6.0789 6.5178 6.5178 6.7686 6.7686 6.8045 6.8045 6.9802 6.9802 7.0931 7.0931 7.3831 7.3831 17.7251 17.7251 17.8982 17.8982 18.1948 18.1948 18.3689 18.3689 18.3854 18.3854 k = 0.6331 0.3317-0.2942 ( 3099 PWs) bands (ev): -10.1466 -10.1466 -9.9067 -9.9067 -9.5201 -9.5201 -9.1139 -9.1139 -8.6589 -8.6589 -8.4782 -8.4782 1.5673 1.5673 2.4757 2.4757 2.5982 2.5982 2.9691 2.9691 3.7379 3.7379 4.0644 4.0644 4.1147 4.1147 4.8474 4.8474 5.2022 5.2022 5.4893 5.4893 5.8247 5.8247 6.0789 6.0789 6.5178 6.5178 6.7686 6.7686 6.8045 6.8045 6.9802 6.9802 7.0931 7.0931 7.3831 7.3831 17.7251 17.7251 17.8982 17.8982 18.1948 18.1948 18.3689 18.3689 18.3854 18.3854 k = 0.6288 0.3295-0.2789 ( 3100 PWs) bands (ev): -10.1376 -10.1376 -9.9379 -9.9379 -9.5136 -9.5136 -9.1070 -9.1070 -8.6488 -8.6488 -8.4767 -8.4767 1.5834 1.5834 2.5005 2.5005 2.5977 2.5977 2.9462 2.9462 3.7404 3.7404 4.0722 4.0722 4.1546 4.1546 4.8359 4.8359 5.1580 5.1580 5.4546 5.4546 5.8019 5.8019 6.0933 6.0933 6.5094 6.5094 6.7952 6.7952 6.8093 6.8093 6.9712 6.9712 7.0903 7.0903 7.3576 7.3576 17.7738 17.7738 17.9204 17.9204 18.1649 18.1649 18.3647 18.3647 18.4484 18.4484 k = 0.6245 0.3272-0.2637 ( 3100 PWs) bands (ev): -10.1337 -10.1337 -9.9686 -9.9686 -9.5014 -9.5014 -9.0993 -9.0993 -8.6392 -8.6392 -8.4753 -8.4753 1.6006 1.6006 2.5234 2.5234 2.5936 2.5936 2.9248 2.9248 3.7443 3.7443 4.0829 4.0829 4.1919 4.1919 4.8263 4.8263 5.1110 5.1110 5.4175 5.4175 5.7801 5.7801 6.1101 6.1101 6.4997 6.4997 6.8065 6.8065 6.8223 6.8223 6.9644 6.9644 7.0934 7.0934 7.3318 7.3318 17.8251 17.8251 17.9273 17.9273 18.1179 18.1179 18.3795 18.3795 18.5269 18.5269 k = 0.6202 0.3250-0.2484 ( 3092 PWs) bands (ev): -10.1347 -10.1347 -9.9987 -9.9987 -9.4840 -9.4840 -9.0908 -9.0908 -8.6302 -8.6302 -8.4741 -8.4741 1.6189 1.6189 2.5448 2.5448 2.5847 2.5847 2.9070 2.9070 3.7493 3.7493 4.0952 4.0952 4.2257 4.2257 4.8189 4.8189 5.0616 5.0616 5.3796 5.3796 5.7594 5.7594 6.1275 6.1275 6.4889 6.4889 6.8039 6.8039 6.8423 6.8423 6.9606 6.9606 7.1015 7.1015 7.3067 7.3067 17.8771 17.8771 17.9163 17.9163 18.0660 18.0660 18.4157 18.4157 18.6104 18.6104 k = 0.6159 0.3227-0.2331 ( 3087 PWs) bands (ev): -10.1400 -10.1400 -10.0281 -10.0281 -9.4620 -9.4620 -9.0817 -9.0817 -8.6217 -8.6217 -8.4731 -8.4731 1.6383 1.6383 2.5646 2.5646 2.5707 2.5707 2.8944 2.8944 3.7547 3.7547 4.1077 4.1077 4.2552 4.2552 4.8142 4.8142 5.0101 5.0101 5.3424 5.3424 5.7395 5.7395 6.1442 6.1442 6.4771 6.4771 6.7998 6.7998 6.8572 6.8572 6.9599 6.9599 7.1137 7.1137 7.2837 7.2837 17.8889 17.8889 17.9208 17.9208 18.0215 18.0215 18.4713 18.4713 18.6956 18.6956 k = 0.6116 0.3205-0.2178 ( 3091 PWs) bands (ev): -10.1488 -10.1488 -10.0570 -10.0570 -9.4361 -9.4361 -9.0718 -9.0718 -8.6138 -8.6138 -8.4723 -8.4723 1.6587 1.6587 2.5509 2.5509 2.5838 2.5838 2.8880 2.8880 3.7600 3.7600 4.1192 4.1192 4.2794 4.2794 4.8126 4.8126 4.9571 4.9571 5.3074 5.3074 5.7204 5.7204 6.1587 6.1587 6.4645 6.4645 6.7965 6.7965 6.8658 6.8658 6.9619 6.9619 7.1288 7.1288 7.2642 7.2642 17.8497 17.8497 17.9114 17.9114 18.0295 18.0295 18.5418 18.5418 18.7816 18.7816 k = 0.6073 0.3182-0.2026 ( 3087 PWs) bands (ev): -10.1604 -10.1604 -10.0851 -10.0851 -9.4071 -9.4071 -9.0612 -9.0612 -8.6065 -8.6065 -8.4719 -8.4719 1.6802 1.6802 2.5267 2.5267 2.6021 2.6021 2.8875 2.8875 3.7645 3.7645 4.1285 4.1285 4.2973 4.2973 4.8147 4.8147 4.9029 4.9029 5.2761 5.2761 5.7020 5.7020 6.1695 6.1695 6.4510 6.4510 6.7963 6.7963 6.8680 6.8680 6.9655 6.9655 7.1460 7.1460 7.2500 7.2500 17.8020 17.8020 17.8575 17.8575 18.0821 18.0821 18.6235 18.6235 18.8677 18.8677 k = 0.6030 0.3160-0.1873 ( 3083 PWs) bands (ev): -10.1742 -10.1742 -10.1124 -10.1124 -9.3757 -9.3757 -9.0500 -9.0500 -8.5998 -8.5998 -8.4719 -8.4719 1.7027 1.7027 2.4991 2.4991 2.6202 2.6202 2.8925 2.8925 3.7673 3.7673 4.1349 4.1349 4.3082 4.3082 4.8205 4.8205 4.8482 4.8482 5.2496 5.2496 5.6843 5.6843 6.1756 6.1756 6.4365 6.4365 6.8005 6.8005 6.8633 6.8633 6.9697 6.9697 7.1644 7.1644 7.2425 7.2425 17.7484 17.7484 17.7944 17.7944 18.1440 18.1440 18.7133 18.7133 18.9538 18.9538 k = 0.5987 0.3137-0.1720 ( 3083 PWs) bands (ev): -10.1897 -10.1897 -10.1390 -10.1390 -9.3424 -9.3424 -9.0382 -9.0382 -8.5937 -8.5937 -8.4724 -8.4724 1.7261 1.7261 2.4694 2.4694 2.6383 2.6383 2.9019 2.9019 3.7677 3.7677 4.1374 4.1374 4.3115 4.3115 4.7915 4.7915 4.8325 4.8325 5.2290 5.2290 5.6673 5.6673 6.1763 6.1763 6.4211 6.4211 6.8101 6.8101 6.8511 6.8511 6.9754 6.9754 7.1835 7.1835 7.2420 7.2420 17.6908 17.6908 17.7285 17.7285 18.2090 18.2090 18.8091 18.8091 19.0396 19.0396 k = 0.5944 0.3115-0.1568 ( 3084 PWs) bands (ev): -10.2063 -10.2063 -10.1647 -10.1647 -9.3078 -9.3078 -9.0257 -9.0257 -8.5882 -8.5882 -8.4734 -8.4734 1.7503 1.7503 2.4388 2.4388 2.6568 2.6568 2.9149 2.9149 3.7652 3.7652 4.1354 4.1354 4.3072 4.3072 4.7362 4.7362 4.8475 4.8475 5.2149 5.2149 5.6509 5.6509 6.1711 6.1711 6.4047 6.4047 6.8235 6.8235 6.8331 6.8331 6.9840 6.9840 7.2030 7.2030 7.2477 7.2477 17.6304 17.6304 17.6611 17.6611 18.2754 18.2754 18.9093 18.9093 19.1251 19.1251 k = 0.5902 0.3092-0.1415 ( 3078 PWs) bands (ev): -10.2235 -10.2235 -10.1895 -10.1895 -9.2723 -9.2723 -9.0127 -9.0127 -8.5833 -8.5833 -8.4749 -8.4749 1.7754 1.7754 2.4082 2.4082 2.6760 2.6760 2.9308 2.9308 3.7590 3.7590 4.1285 4.1285 4.2959 4.2959 4.6809 4.6809 4.8670 4.8670 5.2078 5.2078 5.6354 5.6354 6.1605 6.1605 6.3874 6.3874 6.8016 6.8016 6.8488 6.8488 6.9964 6.9964 7.2225 7.2225 7.2580 7.2580 17.5681 17.5681 17.5931 17.5931 18.3424 18.3424 19.0123 19.0123 19.2101 19.2101 k = 0.5859 0.3070-0.1262 ( 3080 PWs) bands (ev): -10.2412 -10.2412 -10.2133 -10.2133 -9.2364 -9.2364 -8.9991 -8.9991 -8.5790 -8.5790 -8.4771 -8.4771 1.8012 1.8012 2.3785 2.3785 2.6962 2.6962 2.9492 2.9492 3.7487 3.7487 4.1162 4.1162 4.2786 4.2786 4.6261 4.6261 4.8903 4.8903 5.2075 5.2075 5.6206 5.6206 6.1449 6.1449 6.3692 6.3692 6.7678 6.7678 6.8758 6.8758 7.0127 7.0127 7.2419 7.2419 7.2715 7.2715 17.5046 17.5046 17.5249 17.5249 18.4093 18.4093 19.1160 19.1160 19.2945 19.2945 k = 0.5816 0.3047-0.1110 ( 3080 PWs) bands (ev): -10.2589 -10.2589 -10.2363 -10.2363 -9.2003 -9.2003 -8.9850 -8.9850 -8.5754 -8.5754 -8.4800 -8.4800 1.8277 1.8277 2.3502 2.3502 2.7175 2.7175 2.9695 2.9695 3.7340 3.7340 4.0984 4.0984 4.2564 4.2564 4.5722 4.5722 4.9171 4.9171 5.2138 5.2138 5.6067 5.6067 6.1251 6.1251 6.3500 6.3500 6.7292 6.7292 6.9075 6.9075 7.0327 7.0327 7.2609 7.2609 7.2868 7.2868 17.4406 17.4406 17.4570 17.4570 18.4756 18.4756 19.2135 19.2135 19.3282 19.3282 k = 0.5773 0.3025-0.0957 ( 3074 PWs) bands (ev): -10.2766 -10.2766 -10.2582 -10.2582 -9.1642 -9.1642 -8.9704 -8.9704 -8.5724 -8.5724 -8.4835 -8.4835 1.8548 1.8548 2.3237 2.3237 2.7403 2.7403 2.9916 2.9916 3.7148 3.7148 4.0749 4.0749 4.2306 4.2306 4.5191 4.5191 4.9467 4.9467 5.2261 5.2261 5.5938 5.5938 6.1021 6.1021 6.3299 6.3299 6.6872 6.6872 6.9429 6.9429 7.0559 7.0559 7.2794 7.2794 7.3031 7.3031 17.3764 17.3764 17.3896 17.3896 18.5407 18.5407 19.2582 19.2582 19.3618 19.3618 k = 0.5730 0.3002-0.0804 ( 3076 PWs) bands (ev): -10.2939 -10.2939 -10.2791 -10.2791 -9.1284 -9.1284 -8.9554 -8.9554 -8.5701 -8.5701 -8.4878 -8.4878 1.8823 1.8823 2.2993 2.2993 2.7647 2.7647 3.0150 3.0150 3.6913 3.6913 4.0462 4.0462 4.2024 4.2024 4.4670 4.4670 4.9789 4.9789 5.2436 5.2436 5.5819 5.5819 6.0766 6.0766 6.3089 6.3089 6.6426 6.6426 6.9810 6.9810 7.0818 7.0818 7.2973 7.2973 7.3196 7.3196 17.3127 17.3127 17.3232 17.3232 18.6040 18.6040 19.2430 19.2430 19.4571 19.4571 k = 0.5687 0.2980-0.0651 ( 3077 PWs) bands (ev): -10.3108 -10.3108 -10.2989 -10.2989 -9.0931 -9.0931 -8.9400 -8.9400 -8.5685 -8.5685 -8.4929 -8.4929 1.9101 1.9101 2.2772 2.2772 2.7907 2.7907 3.0397 3.0397 3.6639 3.6639 4.0124 4.0124 4.1726 4.1726 4.4157 4.4157 5.0134 5.0134 5.2656 5.2656 5.5712 5.5712 6.0493 6.0493 6.2871 6.2871 6.5961 6.5961 7.0210 7.0210 7.1099 7.1099 7.3146 7.3146 7.3359 7.3359 17.2499 17.2499 17.2582 17.2582 18.6651 18.6651 19.2206 19.2206 19.5607 19.5607 k = 0.5644 0.2957-0.0499 ( 3075 PWs) bands (ev): -10.3271 -10.3271 -10.3177 -10.3177 -9.0585 -9.0585 -8.9242 -8.9242 -8.5677 -8.5677 -8.4987 -8.4987 1.9382 1.9382 2.2576 2.2576 2.8185 2.8185 3.0655 3.0655 3.6331 3.6331 3.9743 3.9743 4.1420 4.1420 4.3651 4.3651 5.0498 5.0498 5.2913 5.2913 5.5618 5.5618 6.0209 6.0209 6.2644 6.2644 6.5483 6.5483 7.0620 7.0620 7.1397 7.1397 7.3312 7.3312 7.3518 7.3518 17.1883 17.1883 17.1949 17.1949 18.7233 18.7233 19.1986 19.1986 19.6641 19.6641 k = 0.5601 0.2935-0.0346 ( 3069 PWs) bands (ev): -10.3428 -10.3428 -10.3353 -10.3353 -9.0246 -9.0246 -8.9081 -8.9081 -8.5677 -8.5677 -8.5053 -8.5053 1.9662 1.9662 2.2406 2.2406 2.8482 2.8482 3.0921 3.0921 3.5997 3.5997 3.9324 3.9324 4.1109 4.1109 4.3150 4.3150 5.0880 5.0880 5.3200 5.3200 5.5537 5.5537 5.9919 5.9919 6.2409 6.2409 6.4994 6.4994 7.1034 7.1034 7.1707 7.1707 7.3469 7.3469 7.3670 7.3670 17.1285 17.1285 17.1336 17.1336 18.7783 18.7783 19.1785 19.1785 19.7651 19.7651 k = 0.5558 0.2912-0.0193 ( 3069 PWs) bands (ev): -10.3576 -10.3576 -10.3518 -10.3518 -8.9915 -8.9915 -8.8916 -8.8916 -8.5685 -8.5685 -8.5127 -8.5127 1.9941 1.9941 2.2262 2.2262 2.8796 2.8796 3.1195 3.1195 3.5646 3.5646 3.8877 3.8877 4.0797 4.0797 4.2650 4.2650 5.1277 5.1277 5.3511 5.3511 5.5470 5.5470 5.9628 5.9628 6.2165 6.2165 6.4497 6.4497 7.1446 7.1446 7.2024 7.2024 7.3618 7.3618 7.3813 7.3813 17.0708 17.0708 17.0746 17.0746 18.8294 18.8294 19.1604 19.1604 19.8623 19.8623 k = 0.5515 0.2890-0.0041 ( 3061 PWs) bands (ev): -10.3716 -10.3716 -10.3672 -10.3672 -8.9595 -8.9595 -8.8750 -8.8750 -8.5701 -8.5701 -8.5208 -8.5208 2.0215 2.0215 2.2144 2.2144 2.9129 2.9129 3.1473 3.1473 3.5287 3.5287 3.8408 3.8408 4.0485 4.0485 4.2152 4.2152 5.1687 5.1687 5.3842 5.3842 5.5418 5.5418 5.9340 5.9340 6.1913 6.1913 6.3995 6.3995 7.1849 7.1849 7.2341 7.2341 7.3759 7.3759 7.3946 7.3946 17.0155 17.0155 17.0184 17.0184 18.8763 18.8763 19.1445 19.1445 19.9401 19.9401 k = 0.5472 0.2867 0.0112 ( 3057 PWs) bands (ev): -10.3847 -10.3847 -10.3814 -10.3814 -8.9285 -8.9285 -8.8581 -8.8581 -8.5727 -8.5727 -8.5298 -8.5298 2.0483 2.0483 2.2052 2.2052 2.9479 2.9479 3.1756 3.1756 3.4930 3.4930 3.7925 3.7925 4.0174 4.0174 4.1652 4.1652 5.2108 5.2108 5.4187 5.4187 5.5380 5.5380 5.9058 5.9058 6.1653 6.1653 6.3490 6.3490 7.2240 7.2240 7.2654 7.2654 7.3891 7.3891 7.4069 7.4069 16.9631 16.9631 16.9653 16.9653 18.9185 18.9185 19.1308 19.1308 20.0151 20.0151 k = 0.5429 0.2845 0.0265 ( 3057 PWs) bands (ev): -10.3969 -10.3969 -10.3944 -10.3944 -8.8987 -8.8987 -8.8410 -8.8410 -8.5762 -8.5762 -8.5395 -8.5395 2.0740 2.0740 2.1984 2.1984 2.9845 2.9845 3.2039 3.2039 3.4585 3.4585 3.7436 3.7436 3.9865 3.9865 4.1153 4.1153 5.2536 5.2536 5.4544 5.4544 5.5356 5.5356 5.8785 5.8785 6.1384 6.1384 6.2982 6.2982 7.2612 7.2612 7.2958 7.2958 7.4013 7.4013 7.4181 7.4181 16.9139 16.9139 16.9155 16.9155 18.9559 18.9559 19.1193 19.1193 20.0881 20.0881 k = 0.5386 0.2822 0.0417 ( 3063 PWs) bands (ev): -10.4080 -10.4080 -10.4062 -10.4062 -8.8701 -8.8701 -8.8239 -8.8239 -8.5806 -8.5806 -8.5499 -8.5499 2.0984 2.0984 2.1940 2.1940 3.0226 3.0226 3.2322 3.2322 3.4262 3.4262 3.6947 3.6947 3.9559 3.9559 4.0655 4.0655 5.2969 5.2969 5.4907 5.4907 5.5348 5.5348 5.8526 5.8526 6.1107 6.1107 6.2474 6.2474 7.2962 7.2962 7.3248 7.3248 7.4127 7.4127 7.4282 7.4282 16.8682 16.8682 16.8694 16.8694 18.9882 18.9882 19.1099 19.1099 20.1587 20.1587 k = 0.5343 0.2800 0.0570 ( 3061 PWs) bands (ev): -10.4180 -10.4180 -10.4168 -10.4168 -8.8427 -8.8427 -8.8067 -8.8067 -8.5861 -8.5861 -8.5611 -8.5611 2.1211 2.1211 2.1917 2.1917 3.0619 3.0619 3.2599 3.2599 3.3969 3.3969 3.6464 3.6464 3.9256 3.9256 4.0161 4.0161 5.3404 5.3404 5.5267 5.5267 5.5363 5.5363 5.8284 5.8284 6.0821 6.0821 6.1967 6.1967 7.3285 7.3285 7.3519 7.3519 7.4231 7.4231 7.4373 7.4373 16.8264 16.8264 16.8272 16.8272 19.0155 19.0155 19.1025 19.1025 20.2265 20.2265 k = 0.5301 0.2777 0.0723 ( 3061 PWs) bands (ev): -10.4270 -10.4270 -10.4262 -10.4262 -8.8167 -8.8167 -8.7894 -8.7894 -8.5927 -8.5927 -8.5729 -8.5729 2.1416 2.1416 2.1913 2.1913 3.1023 3.1023 3.2866 3.2866 3.3716 3.3716 3.5993 3.5993 3.8960 3.8960 3.9677 3.9677 5.3835 5.3835 5.5365 5.5365 5.5658 5.5658 5.8063 5.8063 6.0526 6.0526 6.1462 6.1462 7.3579 7.3579 7.3765 7.3765 7.4327 7.4327 7.4452 7.4452 16.7888 16.7888 16.7893 16.7893 19.0378 19.0378 19.0970 19.0970 20.2907 20.2907 k = 0.5258 0.2755 0.0876 ( 3056 PWs) bands (ev): -10.4348 -10.4348 -10.4343 -10.4343 -8.7919 -8.7919 -8.7722 -8.7722 -8.6004 -8.6004 -8.5854 -8.5854 2.1598 2.1598 2.1925 2.1925 3.1432 3.1432 3.3116 3.3116 3.3511 3.3511 3.5540 3.5540 3.8671 3.8671 3.9209 3.9209 5.4256 5.4256 5.5398 5.5398 5.6031 5.6031 5.7872 5.7872 6.0223 6.0223 6.0960 6.0960 7.3839 7.3839 7.3983 7.3983 7.4416 7.4416 7.4521 7.4521 16.7556 16.7556 16.7559 16.7559 19.0555 19.0555 19.0933 19.0933 20.3496 20.3497 k = 0.5215 0.2732 0.1028 ( 3054 PWs) bands (ev): -10.4414 -10.4414 -10.4412 -10.4412 -8.7685 -8.7685 -8.7551 -8.7551 -8.6093 -8.6093 -8.5985 -8.5985 2.1751 2.1751 2.1948 2.1948 3.1842 3.1842 3.3325 3.3325 3.3377 3.3377 3.5112 3.5112 3.8396 3.8396 3.8768 3.8768 5.4656 5.4656 5.5440 5.5440 5.6406 5.6406 5.7721 5.7721 5.9912 5.9912 6.0465 6.0465 7.4062 7.4062 7.4167 7.4167 7.4498 7.4498 7.4580 7.4580 16.7271 16.7271 16.7272 16.7272 19.0688 19.0688 19.0910 19.0910 20.4009 20.4010 k = 0.5172 0.2710 0.1181 ( 3056 PWs) bands (ev): -10.4469 -10.4469 -10.4468 -10.4468 -8.7465 -8.7465 -8.7380 -8.7380 -8.6193 -8.6193 -8.6123 -8.6123 2.1875 2.1875 2.1980 2.1980 3.2246 3.2246 3.3263 3.3263 3.3533 3.3533 3.4713 3.4713 3.8140 3.8140 3.8366 3.8366 5.5019 5.5019 5.5492 5.5492 5.6779 5.6779 5.7627 5.7627 5.9592 5.9592 5.9978 5.9978 7.4244 7.4244 7.4312 7.4312 7.4575 7.4575 7.4631 7.4631 16.7034 16.7034 16.7035 16.7035 19.0785 19.0785 19.0900 19.0900 20.4427 20.4427 k = 0.5129 0.2687 0.1334 ( 3054 PWs) bands (ev): -10.4512 -10.4512 -10.4512 -10.4512 -8.7259 -8.7259 -8.7212 -8.7212 -8.6306 -8.6306 -8.6265 -8.6265 2.1968 2.1968 2.2014 2.2014 3.2634 3.2634 3.3235 3.3235 3.3664 3.3664 3.4350 3.4350 3.7911 3.7911 3.8024 3.8024 5.5318 5.5318 5.5549 5.5549 5.7150 5.7150 5.7614 5.7614 5.9264 5.9264 5.9503 5.9503 7.4382 7.4382 7.4417 7.4417 7.4646 7.4646 7.4676 7.4676 16.6848 16.6848 16.6849 16.6849 19.0849 19.0849 19.0899 19.0899 20.4748 20.4748 k = 0.5086 0.2665 0.1486 ( 3059 PWs) bands (ev): -10.4543 -10.4543 -10.4543 -10.4543 -8.7066 -8.7066 -8.7046 -8.7046 -8.6431 -8.6431 -8.6413 -8.6413 2.2031 2.2031 2.2045 2.2045 3.2991 3.2991 3.3271 3.3271 3.3719 3.3719 3.4029 3.4029 3.7724 3.7724 3.7762 3.7762 5.5529 5.5529 5.5606 5.5606 5.7517 5.7517 5.7709 5.7709 5.8928 5.8928 5.9047 5.9047 7.4474 7.4474 7.4486 7.4486 7.4706 7.4706 7.4716 7.4716 16.6714 16.6714 16.6715 16.6715 19.0887 19.0887 19.0904 19.0904 20.4967 20.4967 k = 0.5043 0.2642 0.1639 ( 3063 PWs) bands (ev): -10.4562 -10.4562 -10.4562 -10.4562 -8.6887 -8.6887 -8.6883 -8.6883 -8.6570 -8.6570 -8.6565 -8.6565 2.2066 2.2066 2.2068 2.2068 3.3298 3.3298 3.3370 3.3370 3.3679 3.3679 3.3756 3.3756 3.7595 3.7595 3.7601 3.7601 5.5640 5.5640 5.5654 5.5654 5.7878 5.7878 5.7922 5.7922 5.8585 5.8585 5.8619 5.8619 7.4523 7.4523 7.4525 7.4525 7.4744 7.4744 7.4746 7.4746 16.6634 16.6634 16.6634 16.6634 19.0906 19.0906 19.0910 19.0910 20.5089 20.5090 k = 0.5000 0.2620 0.1792 ( 3066 PWs) bands (ev): -10.4568 -10.4568 -10.4568 -10.4568 -8.6731 -8.6731 -8.6731 -8.6731 -8.6713 -8.6713 -8.6713 -8.6713 2.2077 2.2077 2.2077 2.2077 3.3511 3.3511 3.3511 3.3511 3.3558 3.3558 3.3558 3.3558 3.7548 3.7548 3.7548 3.7548 5.5672 5.5672 5.5672 5.5672 5.8234 5.8234 5.8234 5.8234 5.8236 5.8236 5.8236 5.8236 7.4538 7.4538 7.4538 7.4538 7.4757 7.4757 7.4757 7.4757 16.6607 16.6607 16.6607 16.6607 19.0912 19.0912 19.0912 19.0912 20.5128 20.5128 k = 0.5000-0.3461-0.2367 ( 3086 PWs) bands (ev): -10.3024 -10.3024 -10.3024 -10.3024 -8.8297 -8.8297 -8.8297 -8.8297 -8.6972 -8.6972 -8.6971 -8.6971 1.3516 1.3516 1.3516 1.3516 2.6063 2.6063 2.6063 2.6063 4.2312 4.2312 4.2312 4.2312 4.3987 4.3987 4.3987 4.3987 5.6233 5.6233 5.6233 5.6233 6.2853 6.2853 6.2853 6.2853 6.5126 6.5126 6.5126 6.5126 6.9324 6.9324 6.9324 6.9324 7.5782 7.5782 7.5782 7.5782 17.4639 17.4639 17.4639 17.4639 17.6386 17.6386 17.6386 17.6386 19.7560 19.7560 k = 0.5102-0.3360-0.2298 ( 3086 PWs) bands (ev): -10.3028 -10.3028 -10.3009 -10.3009 -8.8441 -8.8441 -8.8154 -8.8154 -8.7211 -8.7211 -8.6747 -8.6747 1.3349 1.3349 1.3710 1.3710 2.6072 2.6072 2.6075 2.6075 4.1769 4.1769 4.2769 4.2769 4.4000 4.4000 4.4052 4.4052 5.6215 5.6215 5.6256 5.6256 6.2420 6.2420 6.3269 6.3269 6.5005 6.5005 6.5228 6.5228 6.9172 6.9172 6.9476 6.9476 7.5685 7.5685 7.5858 7.5858 17.4539 17.4539 17.4735 17.4735 17.5981 17.5981 17.6839 17.6839 19.7378 19.7378 k = 0.5205-0.3259-0.2229 ( 3086 PWs) bands (ev): -10.3020 -10.3020 -10.2983 -10.2983 -8.8588 -8.8588 -8.8012 -8.8012 -8.7464 -8.7464 -8.6537 -8.6537 1.3209 1.3209 1.3931 1.3931 2.6102 2.6102 2.6106 2.6106 4.1198 4.1198 4.3037 4.3037 4.4035 4.4035 4.4300 4.4300 5.6203 5.6203 5.6280 5.6280 6.1970 6.1970 6.3666 6.3666 6.4866 6.4866 6.5315 6.5315 6.9022 6.9022 6.9624 6.9624 7.5570 7.5570 7.5911 7.5911 17.4456 17.4456 17.4767 17.4767 17.5690 17.5690 17.7317 17.7317 19.7199 19.7199 k = 0.5307-0.3159-0.2160 ( 3091 PWs) bands (ev): -10.3001 -10.3001 -10.2946 -10.2946 -8.8736 -8.8736 -8.7872 -8.7872 -8.7729 -8.7729 -8.6343 -8.6343 1.3095 1.3095 1.4180 1.4180 2.6150 2.6150 2.6157 2.6157 4.0620 4.0620 4.3095 4.3095 4.4070 4.4070 4.4750 4.4750 5.6198 5.6198 5.6303 5.6303 6.1505 6.1505 6.4043 6.4043 6.4706 6.4706 6.5388 6.5388 6.8875 6.8875 6.9767 6.9767 7.5438 7.5438 7.5940 7.5940 17.4396 17.4396 17.4636 17.4636 17.5615 17.5615 17.7806 17.7806 19.7019 19.7019 k = 0.5409-0.3058-0.2091 ( 3095 PWs) bands (ev): -10.2971 -10.2971 -10.2897 -10.2897 -8.8888 -8.8888 -8.8006 -8.8006 -8.7734 -8.7734 -8.6164 -8.6164 1.3006 1.3006 1.4455 1.4455 2.6218 2.6218 2.6226 2.6226 4.0047 4.0047 4.3040 4.3040 4.4094 4.4094 4.5307 4.5307 5.6202 5.6202 5.6323 5.6323 6.1025 6.1025 6.4396 6.4396 6.4530 6.4530 6.5450 6.5450 6.8734 6.8734 6.9901 6.9901 7.5293 7.5293 7.5945 7.5945 17.4357 17.4357 17.4376 17.4376 17.5731 17.5731 17.8296 17.8296 19.6830 19.6830 k = 0.5512-0.2957-0.2022 ( 3093 PWs) bands (ev): -10.2931 -10.2931 -10.2836 -10.2836 -8.9045 -8.9045 -8.8289 -8.8289 -8.7598 -8.7598 -8.6001 -8.6001 1.2943 1.2943 1.4759 1.4759 2.6304 2.6304 2.6313 2.6313 3.9484 3.9484 4.2935 4.2935 4.4103 4.4103 4.5908 4.5908 5.6213 5.6213 5.6335 5.6335 6.0533 6.0533 6.4323 6.4323 6.4739 6.4739 6.5505 6.5505 6.8599 6.8599 7.0025 7.0025 7.5137 7.5137 7.5923 7.5923 17.4064 17.4064 17.4364 17.4364 17.5940 17.5940 17.8780 17.8780 19.6623 19.6623 k = 0.5614-0.2856-0.1953 ( 3095 PWs) bands (ev): -10.2881 -10.2881 -10.2763 -10.2763 -8.9212 -8.9212 -8.8574 -8.8574 -8.7465 -8.7465 -8.5854 -8.5854 1.2904 1.2904 1.5090 1.5090 2.6407 2.6407 2.6416 2.6416 3.8937 3.8937 4.2806 4.2806 4.4096 4.4096 4.6529 4.6529 5.6231 5.6231 5.6337 5.6337 6.0031 6.0031 6.4105 6.4105 6.5048 6.5048 6.5558 6.5558 6.8471 6.8471 7.0135 7.0135 7.4974 7.4974 7.5876 7.5876 17.3775 17.3775 17.4393 17.4393 17.6194 17.6194 17.9250 17.9250 19.6381 19.6381 k = 0.5717-0.2756-0.1884 ( 3096 PWs) bands (ev): -10.2821 -10.2821 -10.2679 -10.2679 -8.9399 -8.9399 -8.8850 -8.8850 -8.7335 -8.7335 -8.5722 -8.5722 1.2889 1.2889 1.5447 1.5447 2.6524 2.6524 2.6534 2.6534 3.8409 3.8409 4.2662 4.2662 4.4070 4.4070 4.7159 4.7159 5.6253 5.6253 5.6325 5.6325 5.9521 5.9521 6.3868 6.3868 6.5318 6.5318 6.5626 6.5626 6.8350 6.8350 7.0231 7.0231 7.4806 7.4806 7.5802 7.5802 17.3515 17.3515 17.4453 17.4453 17.6478 17.6478 17.9698 17.9698 19.6085 19.6085 k = 0.5819-0.2655-0.1816 ( 3099 PWs) bands (ev): -10.2752 -10.2752 -10.2584 -10.2584 -8.9620 -8.9620 -8.9101 -8.9101 -8.7208 -8.7208 -8.5605 -8.5605 1.2896 1.2896 1.5832 1.5832 2.6648 2.6648 2.6667 2.6667 3.7904 3.7904 4.2511 4.2511 4.4025 4.4025 4.7793 4.7793 5.6272 5.6272 5.6299 5.6299 5.9008 5.9008 6.3617 6.3617 6.5498 6.5498 6.5760 6.5760 6.8238 6.8238 7.0310 7.0310 7.4638 7.4638 7.5702 7.5702 17.3294 17.3294 17.4545 17.4545 17.6784 17.6784 18.0119 18.0119 19.5713 19.5713 k = 0.5921-0.2554-0.1747 ( 3099 PWs) bands (ev): -10.2674 -10.2674 -10.2477 -10.2477 -8.9886 -8.9886 -8.9315 -8.9315 -8.7085 -8.7085 -8.5503 -8.5503 1.2926 1.2926 1.6243 1.6243 2.6777 2.6777 2.6816 2.6816 3.7428 3.7428 4.2355 4.2355 4.3961 4.3961 4.8428 4.8428 5.6242 5.6242 5.6292 5.6292 5.8500 5.8500 6.3353 6.3353 6.5579 6.5579 6.5973 6.5973 6.8133 6.8133 7.0370 7.0370 7.4472 7.4472 7.5577 7.5577 17.3115 17.3115 17.4668 17.4668 17.7108 17.7108 18.0506 18.0506 19.5257 19.5257 k = 0.6024-0.2453-0.1678 ( 3099 PWs) bands (ev): -10.2587 -10.2587 -10.2358 -10.2358 -9.0193 -9.0193 -8.9494 -8.9494 -8.6967 -8.6967 -8.5415 -8.5415 1.2977 1.2977 1.6680 1.6680 2.6905 2.6905 2.6976 2.6976 3.6987 3.6987 4.2199 4.2199 4.3878 4.3878 4.9061 4.9061 5.6170 5.6170 5.6279 5.6279 5.8009 5.8009 6.3080 6.3080 6.5627 6.5627 6.6199 6.6199 6.8037 6.8037 7.0411 7.0411 7.4312 7.4312 7.5427 7.5427 17.2982 17.2982 17.4820 17.4820 17.7446 17.7446 18.0854 18.0854 19.4722 19.4722 k = 0.6126-0.2353-0.1609 ( 3095 PWs) bands (ev): -10.2493 -10.2493 -10.2228 -10.2228 -9.0528 -9.0528 -8.9651 -8.9651 -8.6854 -8.6854 -8.5340 -8.5340 1.3048 1.3048 1.7143 1.7143 2.7025 2.7025 2.7147 2.7147 3.6586 3.6586 4.2043 4.2043 4.3778 4.3778 4.9689 4.9689 5.6072 5.6072 5.6210 5.6210 5.7566 5.7566 6.2803 6.2803 6.5667 6.5667 6.6414 6.6414 6.7950 6.7950 7.0431 7.0431 7.4161 7.4161 7.5253 7.5253 17.2898 17.2898 17.5002 17.5002 17.7795 17.7795 18.1162 18.1162 19.4125 19.4125 k = 0.6228-0.2252-0.1540 ( 3095 PWs) bands (ev): -10.2393 -10.2393 -10.2087 -10.2087 -9.0880 -9.0880 -8.9794 -8.9794 -8.6748 -8.6748 -8.5277 -8.5277 1.3138 1.3138 1.7629 1.7629 2.7131 2.7131 2.7326 2.7326 3.6233 3.6233 4.1890 4.1890 4.3660 4.3660 5.0312 5.0312 5.5946 5.5946 5.6031 5.6031 5.7224 5.7224 6.2527 6.2527 6.5705 6.5705 6.6613 6.6613 6.7872 6.7872 7.0430 7.0430 7.4022 7.4022 7.5056 7.5056 17.2862 17.2862 17.5210 17.5210 17.8153 17.8153 18.1427 18.1427 19.3480 19.3480 k = 0.6331-0.2151-0.1471 ( 3099 PWs) bands (ev): -10.2286 -10.2286 -10.1935 -10.1935 -9.1244 -9.1244 -8.9927 -8.9927 -8.6648 -8.6648 -8.5225 -8.5225 1.3247 1.3247 1.8139 1.8139 2.7213 2.7213 2.7511 2.7511 3.5936 3.5936 4.1741 4.1741 4.3526 4.3526 5.0925 5.0925 5.5684 5.5684 5.5810 5.5810 5.7016 5.7016 6.2257 6.2257 6.5744 6.5744 6.6795 6.6795 6.7803 6.7803 7.0408 7.0408 7.3898 7.3898 7.4837 7.4837 17.2877 17.2877 17.5445 17.5445 17.8518 17.8518 18.1651 18.1651 19.2800 19.2800 k = 0.6433-0.2050-0.1402 ( 3099 PWs) bands (ev): -10.2176 -10.2176 -10.1772 -10.1772 -9.1615 -9.1615 -9.0053 -9.0053 -8.6557 -8.6557 -8.5183 -8.5183 1.3372 1.3372 1.8672 1.8672 2.7264 2.7264 2.7702 2.7702 3.5702 3.5702 4.1598 4.1598 4.3377 4.3377 5.1527 5.1527 5.5237 5.5237 5.5635 5.5635 5.6900 5.6900 6.2000 6.2000 6.5783 6.5783 6.6960 6.6960 6.7745 6.7745 7.0367 7.0367 7.3791 7.3791 7.4599 7.4599 17.2942 17.2942 17.5702 17.5702 17.8887 17.8887 18.1836 18.1836 19.2093 19.2093 k = 0.6536-0.1949-0.1333 ( 3097 PWs) bands (ev): -10.2062 -10.2062 -10.1599 -10.1599 -9.1988 -9.1988 -9.0173 -9.0173 -8.6475 -8.6475 -8.5149 -8.5149 1.3513 1.3513 1.9225 1.9225 2.7274 2.7274 2.7894 2.7894 3.5538 3.5538 4.1462 4.1462 4.3215 4.3215 5.2113 5.2113 5.4727 5.4727 5.5444 5.5444 5.6816 5.6816 6.1761 6.1761 6.5821 6.5821 6.7108 6.7108 6.7699 6.7699 7.0306 7.0306 7.3702 7.3702 7.4343 7.4343 17.3058 17.3058 17.5979 17.5979 17.9257 17.9257 18.1987 18.1987 19.1366 19.1366 k = 0.6638-0.1849-0.1264 ( 3093 PWs) bands (ev): -10.1947 -10.1947 -10.1415 -10.1415 -9.2362 -9.2362 -9.0287 -9.0287 -8.6405 -8.6405 -8.5120 -8.5120 1.3669 1.3669 1.9799 1.9799 2.7238 2.7238 2.8087 2.8087 3.5449 3.5449 4.1335 4.1335 4.3040 4.3040 5.2671 5.2671 5.4189 5.4189 5.5245 5.5245 5.6728 5.6728 6.1547 6.1547 6.5856 6.5856 6.7239 6.7239 6.7665 6.7665 7.0229 7.0229 7.3633 7.3633 7.4070 7.4070 17.3224 17.3224 17.6274 17.6274 17.9628 17.9628 18.2109 18.2109 19.0622 19.0622 k = 0.6740-0.1748-0.1195 ( 3099 PWs) bands (ev): -10.1833 -10.1833 -10.1221 -10.1221 -9.2733 -9.2733 -9.0397 -9.0397 -8.6348 -8.6348 -8.5095 -8.5095 1.3838 1.3838 2.0389 2.0389 2.7152 2.7152 2.8277 2.8277 3.5435 3.5435 4.1216 4.1216 4.2854 4.2854 5.3179 5.3179 5.3637 5.3637 5.5063 5.5063 5.6620 5.6620 6.1362 6.1362 6.5884 6.5884 6.7354 6.7354 6.7645 6.7645 7.0139 7.0139 7.3583 7.3583 7.3783 7.3783 17.3440 17.3440 17.6581 17.6581 17.9997 17.9997 18.2211 18.2211 18.9865 18.9865 k = 0.6843-0.1647-0.1126 ( 3102 PWs) bands (ev): -10.1723 -10.1723 -10.1016 -10.1016 -9.3098 -9.3098 -9.0500 -9.0500 -8.6306 -8.6306 -8.5071 -8.5071 1.4019 1.4019 2.0996 2.0996 2.7016 2.7016 2.8464 2.8464 3.5496 3.5496 4.1108 4.1108 4.2659 4.2659 5.3066 5.3066 5.3583 5.3583 5.4963 5.4963 5.6483 5.6483 6.1209 6.1209 6.5902 6.5902 6.7452 6.7452 6.7642 6.7642 7.0041 7.0041 7.3469 7.3469 7.3566 7.3566 17.3703 17.3703 17.6896 17.6896 18.0361 18.0361 18.2301 18.2301 18.9097 18.9097 k = 0.6945-0.1546-0.1058 ( 3100 PWs) bands (ev): -10.1619 -10.1619 -10.0803 -10.0803 -9.3452 -9.3452 -9.0599 -9.0599 -8.6281 -8.6281 -8.5047 -8.5047 1.4209 1.4209 2.1616 2.1616 2.6834 2.6834 2.8646 2.8646 3.5623 3.5623 4.1009 4.1009 4.2457 4.2457 5.2500 5.2500 5.3737 5.3737 5.5077 5.5077 5.6317 5.6317 6.1087 6.1087 6.5906 6.5906 6.7533 6.7533 6.7656 6.7656 6.9941 6.9941 7.3162 7.3162 7.3549 7.3549 17.4013 17.4013 17.7213 17.7213 18.0719 18.0719 18.2388 18.2388 18.8323 18.8323 k = 0.7047-0.1446-0.0989 ( 3101 PWs) bands (ev): -10.1526 -10.1526 -10.0580 -10.0580 -9.3791 -9.3791 -9.0693 -9.0693 -8.6274 -8.6274 -8.5019 -8.5019 1.4409 1.4409 2.2247 2.2247 2.6609 2.6609 2.8819 2.8819 3.5808 3.5808 4.0922 4.0922 4.2249 4.2249 5.1929 5.1929 5.3635 5.3635 5.5423 5.5423 5.6126 5.6126 6.0993 6.0993 6.5891 6.5891 6.7597 6.7597 6.7688 6.7688 6.9848 6.9848 7.2840 7.2840 7.3555 7.3555 17.4367 17.4367 17.7527 17.7527 18.1067 18.1067 18.2483 18.2483 18.7544 18.7544 k = 0.7150-0.1345-0.0920 ( 3101 PWs) bands (ev): -10.1447 -10.1447 -10.0348 -10.0348 -9.4110 -9.4110 -9.0781 -9.0781 -8.6285 -8.6285 -8.4988 -8.4988 1.4615 1.4615 2.2884 2.2884 2.6350 2.6350 2.8984 2.8984 3.6040 3.6040 4.0846 4.0846 4.2039 4.2039 5.1355 5.1355 5.3409 5.3409 5.5869 5.5869 5.5920 5.5920 6.0924 6.0924 6.5852 6.5852 6.7648 6.7648 6.7731 6.7731 6.9769 6.9769 7.2512 7.2512 7.3576 7.3576 17.4764 17.4764 17.7829 17.7829 18.1401 18.1401 18.2595 18.2595 18.6767 18.6767 k = 0.7252-0.1244-0.0851 ( 3100 PWs) bands (ev): -10.1389 -10.1389 -10.0107 -10.0107 -9.4404 -9.4404 -9.0864 -9.0864 -8.6315 -8.6315 -8.4952 -8.4952 1.4825 1.4825 2.3525 2.3525 2.6063 2.6063 2.9140 2.9140 3.6305 3.6305 4.0781 4.0781 4.1830 4.1830 5.0779 5.0779 5.3137 5.3137 5.5695 5.5695 5.6356 5.6356 6.0875 6.0875 6.5785 6.5785 6.7688 6.7688 6.7781 6.7781 6.9713 6.9713 7.2180 7.2180 7.3610 7.3610 17.5200 17.5200 17.8114 17.8114 18.1716 18.1716 18.2735 18.2735 18.5997 18.5997 k = 0.7355-0.1143-0.0782 ( 3105 PWs) bands (ev): -10.1356 -10.1356 -9.9858 -9.9858 -9.4666 -9.4666 -9.0942 -9.0942 -8.6362 -8.6362 -8.4913 -8.4913 1.5039 1.5039 2.4163 2.4163 2.5755 2.5755 2.9286 2.9286 3.6589 3.6589 4.0728 4.0728 4.1627 4.1627 5.0202 5.0202 5.2849 5.2849 5.5473 5.5473 5.6842 5.6842 6.0840 6.0840 6.5686 6.5686 6.7711 6.7711 6.7842 6.7842 6.9687 6.9687 7.1848 7.1848 7.3655 7.3655 17.5671 17.5671 17.8374 17.8374 18.1995 18.1995 18.2910 18.2910 18.5250 18.5250 k = 0.7457-0.1043-0.0713 ( 3102 PWs) bands (ev): -10.1354 -10.1354 -9.9602 -9.9602 -9.4890 -9.4890 -9.1013 -9.1013 -8.6424 -8.6424 -8.4871 -8.4871 1.5253 1.5253 2.4791 2.4791 2.5431 2.5431 2.9425 2.9425 3.6876 3.6876 4.0687 4.0687 4.1438 4.1438 4.9625 4.9625 5.2561 5.2561 5.5261 5.5261 5.7323 5.7323 6.0816 6.0816 6.5551 6.5551 6.7715 6.7715 6.7913 6.7913 6.9694 6.9694 7.1523 7.1523 7.3708 7.3708 17.6174 17.6174 17.8607 17.8607 18.2202 18.2202 18.3126 18.3126 18.4567 18.4567 k = 0.7559-0.0942-0.0644 ( 3099 PWs) bands (ev): -10.1389 -10.1389 -9.9338 -9.9338 -9.5070 -9.5070 -9.1079 -9.1079 -8.6501 -8.6501 -8.4826 -8.4826 1.5465 1.5465 2.5097 2.5097 2.5402 2.5402 2.9558 2.9558 3.7147 3.7147 4.0659 4.0659 4.1273 4.1273 4.9048 4.9048 5.2283 5.2283 5.5065 5.5065 5.7792 5.7792 6.0799 6.0799 6.5381 6.5381 6.7705 6.7705 6.7985 6.7985 6.9734 6.9734 7.1213 7.1213 7.3767 7.3767 17.6704 17.6704 17.8809 17.8809 18.2236 18.2236 18.3387 18.3387 18.4049 18.4049 k = 0.7662-0.0841-0.0575 ( 3099 PWs) bands (ev): -10.1466 -10.1466 -9.9068 -9.9068 -9.5202 -9.5202 -9.1139 -9.1139 -8.6589 -8.6589 -8.4781 -8.4781 1.5673 1.5673 2.4757 2.4757 2.5982 2.5982 2.9691 2.9691 3.7379 3.7379 4.0644 4.0644 4.1147 4.1147 4.8474 4.8474 5.2022 5.2022 5.4893 5.4893 5.8247 5.8247 6.0789 6.0789 6.5178 6.5178 6.7686 6.7686 6.8045 6.8045 6.9802 6.9802 7.0931 7.0931 7.3831 7.3831 17.7251 17.7251 17.8982 17.8982 18.1948 18.1948 18.3689 18.3689 18.3854 18.3854 Writing output data file Al2O3.save init_run : 0.20s CPU 0.33s WALL ( 1 calls) electrons : 230.78s CPU 233.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 230.78s CPU 233.93s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 293 calls) cegterg : 215.14s CPU 217.84s WALL ( 635 calls) Called by sum_band: Called by *egterg: h_psi : 117.22s CPU 118.81s WALL ( 10548 calls) s_psi : 7.57s CPU 7.78s WALL ( 10548 calls) g_psi : 0.22s CPU 0.20s WALL ( 9620 calls) cdiaghg : 86.50s CPU 87.61s WALL ( 9913 calls) cegterg:over : 6.33s CPU 6.23s WALL ( 9620 calls) cegterg:upda : 5.52s CPU 5.58s WALL ( 9620 calls) cegterg:last : 2.44s CPU 2.52s WALL ( 1283 calls) cdiaghg:chol : 4.82s CPU 4.87s WALL ( 9913 calls) cdiaghg:inve : 3.37s CPU 3.46s WALL ( 9913 calls) cdiaghg:para : 5.68s CPU 5.62s WALL ( 19826 calls) Called by h_psi: h_psi:vloc : 98.52s CPU 100.01s WALL ( 10548 calls) h_psi:vnl : 18.47s CPU 18.58s WALL ( 10548 calls) add_vuspsi : 9.85s CPU 9.88s WALL ( 10548 calls) General routines calbec : 8.60s CPU 8.67s WALL ( 10548 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 91.93s CPU 93.59s WALL ( 935956 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.15s WALL ( 586 calls) Parallel routines fft_scatter : 28.26s CPU 28.56s WALL ( 935979 calls) PWSCF : 4m 4.33s CPU 4m20.35s WALL This run was terminated on: 18:40:26 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=