Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:31:52 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: ./FeBO3.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 34 10 1659 722 111 Max 60 35 11 1662 740 114 Sum 2135 1239 361 59777 26271 4071 bravais-lattice index = 14 lattice parameter (alat) = 10.4315 a.u. unit-cell volume = 604.1926 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.431536 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.648858 celldm(5)= 0.648858 celldm(6)= 0.648858 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.648858 0.760909 0.000000 ) a(3) = ( 0.648858 0.299433 0.699516 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.852741 -0.562560 ) b(2) = ( 0.000000 1.314217 -0.562560 ) b(3) = ( 0.000000 0.000000 1.429560 ) 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c 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 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 1.00) B 3.00 10.81100 B( 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= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0121951 -0.0103993 -0.0068605), wk = 0.0034364 k( 3) = ( 0.0243902 -0.0207986 -0.0137210), wk = 0.0034364 k( 4) = ( 0.0365854 -0.0311978 -0.0205815), wk = 0.0034364 k( 5) = ( 0.0487805 -0.0415971 -0.0274419), wk = 0.0034364 k( 6) = ( 0.0609756 -0.0519964 -0.0343024), wk = 0.0034364 k( 7) = ( 0.0731707 -0.0623957 -0.0411629), wk = 0.0034364 k( 8) = ( 0.0853658 -0.0727949 -0.0480234), wk = 0.0034364 k( 9) = ( 0.0975610 -0.0831942 -0.0548839), wk = 0.0034364 k( 10) = ( 0.1097561 -0.0935935 -0.0617444), wk = 0.0034364 k( 11) = ( 0.1219512 -0.1039928 -0.0686049), wk = 0.0034364 k( 12) = ( 0.1341463 -0.1143920 -0.0754654), wk = 0.0034364 k( 13) = ( 0.1463415 -0.1247913 -0.0823258), wk = 0.0034364 k( 14) = ( 0.1585366 -0.1351906 -0.0891863), wk = 0.0034364 k( 15) = ( 0.1707317 -0.1455899 -0.0960468), wk = 0.0034364 k( 16) = ( 0.1829268 -0.1559892 -0.1029073), wk = 0.0034364 k( 17) = ( 0.1951219 -0.1663884 -0.1097678), wk = 0.0034364 k( 18) = ( 0.2073171 -0.1767877 -0.1166283), wk = 0.0034364 k( 19) = ( 0.2195122 -0.1871870 -0.1234888), wk = 0.0034364 k( 20) = ( 0.2317073 -0.1975863 -0.1303492), wk = 0.0034364 k( 21) = ( 0.2439024 -0.2079855 -0.1372097), wk = 0.0034364 k( 22) = ( 0.2560976 -0.2183848 -0.1440702), wk = 0.0034364 k( 23) = ( 0.2682927 -0.2287841 -0.1509307), wk = 0.0034364 k( 24) = ( 0.2804878 -0.2391834 -0.1577912), wk = 0.0034364 k( 25) = ( 0.2926829 -0.2495827 -0.1646517), wk = 0.0034364 k( 26) = ( 0.3048781 -0.2599819 -0.1715122), wk = 0.0034364 k( 27) = ( 0.3170732 -0.2703812 -0.1783727), wk = 0.0034364 k( 28) = ( 0.3292683 -0.2807805 -0.1852331), wk = 0.0034364 k( 29) = ( 0.3414634 -0.2911798 -0.1920936), wk = 0.0034364 k( 30) = ( 0.3536585 -0.3015790 -0.1989541), wk = 0.0034364 k( 31) = ( 0.3658537 -0.3119783 -0.2058146), wk = 0.0034364 k( 32) = ( 0.3780488 -0.3223776 -0.2126751), wk = 0.0034364 k( 33) = ( 0.3902439 -0.3327769 -0.2195356), wk = 0.0034364 k( 34) = ( 0.4024390 -0.3431761 -0.2263961), wk = 0.0034364 k( 35) = ( 0.4146341 -0.3535754 -0.2332565), wk = 0.0034364 k( 36) = ( 0.4268293 -0.3639747 -0.2401170), wk = 0.0034364 k( 37) = ( 0.4390244 -0.3743740 -0.2469775), wk = 0.0034364 k( 38) = ( 0.4512195 -0.3847733 -0.2538380), wk = 0.0034364 k( 39) = ( 0.4634146 -0.3951725 -0.2606985), wk = 0.0034364 k( 40) = ( 0.4756098 -0.4055718 -0.2675590), wk = 0.0034364 k( 41) = ( 0.4878049 -0.4159711 -0.2744195), wk = 0.0034364 k( 42) = ( 0.5000000 -0.4263704 -0.2812799), wk = 0.0034364 k( 43) = ( 0.5000000 -0.4263704 -0.2812799), wk = 0.0034364 k( 44) = ( 0.5000000 -0.4168376 -0.2957299), wk = 0.0034364 k( 45) = ( 0.5000000 -0.4073048 -0.3101799), wk = 0.0034364 k( 46) = ( 0.5000000 -0.3977720 -0.3246299), wk = 0.0034364 k( 47) = ( 0.5000000 -0.3882393 -0.3390799), wk = 0.0034364 k( 48) = ( 0.5000000 -0.3787065 -0.3535299), wk = 0.0034364 k( 49) = ( 0.5000000 -0.3691737 -0.3679799), wk = 0.0034364 k( 50) = ( 0.5000000 -0.3596409 -0.3824299), wk = 0.0034364 k( 51) = ( 0.5000000 -0.3501082 -0.3968799), wk = 0.0034364 k( 52) = ( 0.5000000 -0.3405754 -0.4113299), wk = 0.0034364 k( 53) = ( 0.5000000 -0.3310426 -0.4257799), wk = 0.0034364 k( 54) = ( 0.5000000 -0.3215098 -0.4402299), wk = 0.0034364 k( 55) = ( 0.5000000 -0.3119770 -0.4546799), wk = 0.0034364 k( 56) = ( 0.5000000 -0.3024443 -0.4691299), wk = 0.0034364 k( 57) = ( 0.5000000 -0.2929115 -0.4835799), wk = 0.0034364 k( 58) = ( 0.5000000 -0.2833787 -0.4980299), wk = 0.0034364 k( 59) = ( 0.5000000 -0.2738459 -0.5124798), wk = 0.0034364 k( 60) = ( 0.5000000 -0.2643132 -0.5269298), wk = 0.0034364 k( 61) = ( 0.5000000 -0.2547804 -0.5413798), wk = 0.0034364 k( 62) = ( 0.5000000 -0.2452476 -0.5558298), wk = 0.0034364 k( 63) = ( 0.5000000 -0.2357148 -0.5702798), wk = 0.0034364 k( 64) = ( 0.5000000 -0.2261820 -0.5847298), wk = 0.0034364 k( 65) = ( 0.5000000 -0.2166493 -0.5991798), wk = 0.0034364 k( 66) = ( 0.5000000 -0.2071165 -0.6136298), wk = 0.0034364 k( 67) = ( 0.5000000 -0.1975837 -0.6280798), wk = 0.0034364 k( 68) = ( 0.5000000 -0.1880509 -0.6425298), wk = 0.0034364 k( 69) = ( 0.5000000 -0.1785182 -0.6569798), wk = 0.0034364 k( 70) = ( 0.5000000 -0.1689854 -0.6714298), wk = 0.0034364 k( 71) = ( 0.5000000 -0.1594526 -0.6858798), wk = 0.0034364 k( 72) = ( 0.5000000 -0.1499198 -0.7003298), wk = 0.0034364 k( 73) = ( 0.5000000 -0.1403871 -0.7147798), wk = 0.0034364 k( 74) = ( 0.7823927 -0.0100695 -0.4103400), wk = 0.0034364 k( 75) = ( 0.7751518 -0.0038949 -0.3959154), wk = 0.0034364 k( 76) = ( 0.7679110 0.0022796 -0.3814908), wk = 0.0034364 k( 77) = ( 0.7606702 0.0084542 -0.3670662), wk = 0.0034364 k( 78) = ( 0.7534293 0.0146287 -0.3526416), wk = 0.0034364 k( 79) = ( 0.7461885 0.0208033 -0.3382170), wk = 0.0034364 k( 80) = ( 0.7389476 0.0269778 -0.3237924), wk = 0.0034364 k( 81) = ( 0.7317068 0.0331524 -0.3093678), wk = 0.0034364 k( 82) = ( 0.7244660 0.0393270 -0.2949431), wk = 0.0034364 k( 83) = ( 0.7172251 0.0455015 -0.2805185), wk = 0.0034364 k( 84) = ( 0.7099843 0.0516761 -0.2660939), wk = 0.0034364 k( 85) = ( 0.7027435 0.0578506 -0.2516693), wk = 0.0034364 k( 86) = ( 0.6955026 0.0640252 -0.2372447), wk = 0.0034364 k( 87) = ( 0.6882618 0.0701997 -0.2228201), wk = 0.0034364 k( 88) = ( 0.6810209 0.0763743 -0.2083955), wk = 0.0034364 k( 89) = ( 0.6737801 0.0825488 -0.1939709), wk = 0.0034364 k( 90) = ( 0.6665393 0.0887234 -0.1795462), wk = 0.0034364 k( 91) = ( 0.6592984 0.0948980 -0.1651216), wk = 0.0034364 k( 92) = ( 0.6520576 0.1010725 -0.1506970), wk = 0.0034364 k( 93) = ( 0.6448168 0.1072471 -0.1362724), wk = 0.0034364 k( 94) = ( 0.6375759 0.1134216 -0.1218478), wk = 0.0034364 k( 95) = ( 0.6303351 0.1195962 -0.1074232), wk = 0.0034364 k( 96) = ( 0.6230942 0.1257707 -0.0929986), wk = 0.0034364 k( 97) = ( 0.6158534 0.1319453 -0.0785740), wk = 0.0034364 k( 98) = ( 0.6086126 0.1381199 -0.0641493), wk = 0.0034364 k( 99) = ( 0.6013717 0.1442944 -0.0497247), wk = 0.0034364 k( 100) = ( 0.5941309 0.1504690 -0.0353001), wk = 0.0034364 k( 101) = ( 0.5868901 0.1566435 -0.0208755), wk = 0.0034364 k( 102) = ( 0.5796492 0.1628181 -0.0064509), wk = 0.0034364 k( 103) = ( 0.5724084 0.1689927 0.0079737), wk = 0.0034364 k( 104) = ( 0.5651675 0.1751672 0.0223983), wk = 0.0034364 k( 105) = ( 0.5579267 0.1813418 0.0368230), wk = 0.0034364 k( 106) = ( 0.5506859 0.1875163 0.0512476), wk = 0.0034364 k( 107) = ( 0.5434450 0.1936909 0.0656722), wk = 0.0034364 k( 108) = ( 0.5362042 0.1998654 0.0800968), wk = 0.0034364 k( 109) = ( 0.5289634 0.2060400 0.0945214), wk = 0.0034364 k( 110) = ( 0.5217225 0.2122145 0.1089460), wk = 0.0034364 k( 111) = ( 0.5144817 0.2183891 0.1233706), wk = 0.0034364 k( 112) = ( 0.5072408 0.2245637 0.1377952), wk = 0.0034364 k( 113) = ( 0.5000000 0.2307382 0.1522199), wk = 0.0034364 k( 114) = ( 0.5000000 0.2307382 0.1522199), wk = 0.0034364 k( 115) = ( 0.4848485 0.2237461 0.1476071), wk = 0.0034364 k( 116) = ( 0.4696970 0.2167541 0.1429944), wk = 0.0034364 k( 117) = ( 0.4545455 0.2097620 0.1383817), wk = 0.0034364 k( 118) = ( 0.4393939 0.2027699 0.1337690), wk = 0.0034364 k( 119) = ( 0.4242424 0.1957779 0.1291562), wk = 0.0034364 k( 120) = ( 0.4090909 0.1887858 0.1245435), wk = 0.0034364 k( 121) = ( 0.3939394 0.1817937 0.1199308), wk = 0.0034364 k( 122) = ( 0.3787879 0.1748017 0.1153181), wk = 0.0034364 k( 123) = ( 0.3636364 0.1678096 0.1107053), wk = 0.0034364 k( 124) = ( 0.3484849 0.1608175 0.1060926), wk = 0.0034364 k( 125) = ( 0.3333333 0.1538255 0.1014799), wk = 0.0034364 k( 126) = ( 0.3181818 0.1468334 0.0968672), wk = 0.0034364 k( 127) = ( 0.3030303 0.1398413 0.0922545), wk = 0.0034364 k( 128) = ( 0.2878788 0.1328493 0.0876417), wk = 0.0034364 k( 129) = ( 0.2727273 0.1258572 0.0830290), wk = 0.0034364 k( 130) = ( 0.2575758 0.1188651 0.0784163), wk = 0.0034364 k( 131) = ( 0.2424242 0.1118731 0.0738036), wk = 0.0034364 k( 132) = ( 0.2272727 0.1048810 0.0691908), wk = 0.0034364 k( 133) = ( 0.2121212 0.0978889 0.0645781), wk = 0.0034364 k( 134) = ( 0.1969697 0.0908969 0.0599654), wk = 0.0034364 k( 135) = ( 0.1818182 0.0839048 0.0553527), wk = 0.0034364 k( 136) = ( 0.1666667 0.0769127 0.0507400), wk = 0.0034364 k( 137) = ( 0.1515151 0.0699207 0.0461272), wk = 0.0034364 k( 138) = ( 0.1363636 0.0629286 0.0415145), wk = 0.0034364 k( 139) = ( 0.1212121 0.0559365 0.0369018), wk = 0.0034364 k( 140) = ( 0.1060606 0.0489445 0.0322891), wk = 0.0034364 k( 141) = ( 0.0909091 0.0419524 0.0276763), wk = 0.0034364 k( 142) = ( 0.0757576 0.0349603 0.0230636), wk = 0.0034364 k( 143) = ( 0.0606061 0.0279683 0.0184509), wk = 0.0034364 k( 144) = ( 0.0454546 0.0209762 0.0138382), wk = 0.0034364 k( 145) = ( 0.0303030 0.0139841 0.0092254), wk = 0.0034364 k( 146) = ( 0.0151515 0.0069921 0.0046127), wk = 0.0034364 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 149) = ( 0.0073225 -0.0062442 -0.0145873), wk = 0.0034364 k( 150) = ( 0.0146450 -0.0124884 -0.0291747), wk = 0.0034364 k( 151) = ( 0.0219676 -0.0187326 -0.0437620), wk = 0.0034364 k( 152) = ( 0.0292901 -0.0249769 -0.0583494), wk = 0.0034364 k( 153) = ( 0.0366126 -0.0312211 -0.0729367), wk = 0.0034364 k( 154) = ( 0.0439351 -0.0374653 -0.0875240), wk = 0.0034364 k( 155) = ( 0.0512577 -0.0437095 -0.1021114), wk = 0.0034364 k( 156) = ( 0.0585802 -0.0499537 -0.1166987), wk = 0.0034364 k( 157) = ( 0.0659027 -0.0561979 -0.1312861), wk = 0.0034364 k( 158) = ( 0.0732252 -0.0624421 -0.1458734), wk = 0.0034364 k( 159) = ( 0.0805478 -0.0686864 -0.1604608), wk = 0.0034364 k( 160) = ( 0.0878703 -0.0749306 -0.1750481), wk = 0.0034364 k( 161) = ( 0.0951928 -0.0811748 -0.1896354), wk = 0.0034364 k( 162) = ( 0.1025153 -0.0874190 -0.2042228), wk = 0.0034364 k( 163) = ( 0.1098379 -0.0936632 -0.2188101), wk = 0.0034364 k( 164) = ( 0.1171604 -0.0999074 -0.2333975), wk = 0.0034364 k( 165) = ( 0.1244829 -0.1061516 -0.2479848), wk = 0.0034364 k( 166) = ( 0.1318054 -0.1123959 -0.2625722), wk = 0.0034364 k( 167) = ( 0.1391280 -0.1186401 -0.2771595), wk = 0.0034364 k( 168) = ( 0.1464505 -0.1248843 -0.2917468), wk = 0.0034364 k( 169) = ( 0.1537730 -0.1311285 -0.3063342), wk = 0.0034364 k( 170) = ( 0.1610955 -0.1373727 -0.3209215), wk = 0.0034364 k( 171) = ( 0.1684181 -0.1436169 -0.3355089), wk = 0.0034364 k( 172) = ( 0.1757406 -0.1498611 -0.3500962), wk = 0.0034364 k( 173) = ( 0.1830631 -0.1561054 -0.3646836), wk = 0.0034364 k( 174) = ( 0.1903856 -0.1623496 -0.3792709), wk = 0.0034364 k( 175) = ( 0.1977081 -0.1685938 -0.3938582), wk = 0.0034364 k( 176) = ( 0.2050307 -0.1748380 -0.4084456), wk = 0.0034364 k( 177) = ( 0.2123532 -0.1810822 -0.4230329), wk = 0.0034364 k( 178) = ( 0.2196757 -0.1873264 -0.4376203), wk = 0.0034364 k( 179) = ( 0.2269982 -0.1935706 -0.4522076), wk = 0.0034364 k( 180) = ( 0.2343208 -0.1998149 -0.4667949), wk = 0.0034364 k( 181) = ( 0.2416433 -0.2060591 -0.4813823), wk = 0.0034364 k( 182) = ( 0.2489658 -0.2123033 -0.4959696), wk = 0.0034364 k( 183) = ( 0.2562883 -0.2185475 -0.5105570), wk = 0.0034364 k( 184) = ( 0.2636109 -0.2247917 -0.5251443), wk = 0.0034364 k( 185) = ( 0.2709334 -0.2310359 -0.5397316), wk = 0.0034364 k( 186) = ( 0.2782559 -0.2372801 -0.5543190), wk = 0.0034364 k( 187) = ( 0.2855784 -0.2435244 -0.5689063), wk = 0.0034364 k( 188) = ( 0.2929009 -0.2497686 -0.5834937), wk = 0.0034364 k( 189) = ( 0.3002235 -0.2560128 -0.5980810), wk = 0.0034364 k( 190) = ( 0.3075460 -0.2622570 -0.6126684), wk = 0.0034364 k( 191) = ( 0.3148685 -0.2685012 -0.6272557), wk = 0.0034364 k( 192) = ( 0.3221910 -0.2747454 -0.6418430), wk = 0.0034364 k( 193) = ( 0.3295136 -0.2809896 -0.6564304), wk = 0.0034364 k( 194) = ( 0.3368361 -0.2872339 -0.6710177), wk = 0.0034364 k( 195) = ( 0.3441586 -0.2934781 -0.6856051), wk = 0.0034364 k( 196) = ( 0.3514812 -0.2997223 -0.7001924), wk = 0.0034364 k( 197) = ( 0.3588037 -0.3059665 -0.7147798), wk = 0.0034364 k( 198) = ( 0.6411963 -0.0752283 -0.5625599), wk = 0.0034364 k( 199) = ( 0.6341365 -0.0599299 -0.5625599), wk = 0.0034364 k( 200) = ( 0.6270767 -0.0446316 -0.5625599), wk = 0.0034364 k( 201) = ( 0.6200169 -0.0293333 -0.5625599), wk = 0.0034364 k( 202) = ( 0.6129571 -0.0140350 -0.5625599), wk = 0.0034364 k( 203) = ( 0.6058973 0.0012633 -0.5625599), wk = 0.0034364 k( 204) = ( 0.5988374 0.0165617 -0.5625599), wk = 0.0034364 k( 205) = ( 0.5917776 0.0318600 -0.5625599), wk = 0.0034364 k( 206) = ( 0.5847178 0.0471583 -0.5625599), wk = 0.0034364 k( 207) = ( 0.5776580 0.0624566 -0.5625599), wk = 0.0034364 k( 208) = ( 0.5705982 0.0777550 -0.5625599), wk = 0.0034364 k( 209) = ( 0.5635383 0.0930533 -0.5625599), wk = 0.0034364 k( 210) = ( 0.5564785 0.1083516 -0.5625599), wk = 0.0034364 k( 211) = ( 0.5494187 0.1236499 -0.5625599), wk = 0.0034364 k( 212) = ( 0.5423589 0.1389483 -0.5625599), wk = 0.0034364 k( 213) = ( 0.5352991 0.1542466 -0.5625599), wk = 0.0034364 k( 214) = ( 0.5282393 0.1695449 -0.5625599), wk = 0.0034364 k( 215) = ( 0.5211794 0.1848432 -0.5625599), wk = 0.0034364 k( 216) = ( 0.5141196 0.2001416 -0.5625599), wk = 0.0034364 k( 217) = ( 0.5070598 0.2154399 -0.5625599), wk = 0.0034364 k( 218) = ( 0.5000000 0.2307382 -0.5625599), wk = 0.0034364 k( 219) = ( 0.5000000 0.2307382 -0.5625599), wk = 0.0034364 k( 220) = ( 0.5108613 0.2357504 -0.5508507), wk = 0.0034364 k( 221) = ( 0.5217225 0.2407626 -0.5391415), wk = 0.0034364 k( 222) = ( 0.5325838 0.2457749 -0.5274322), wk = 0.0034364 k( 223) = ( 0.5434450 0.2507871 -0.5157230), wk = 0.0034364 k( 224) = ( 0.5543063 0.2557993 -0.5040138), wk = 0.0034364 k( 225) = ( 0.5651675 0.2608115 -0.4923046), wk = 0.0034364 k( 226) = ( 0.5760288 0.2658237 -0.4805954), wk = 0.0034364 k( 227) = ( 0.5868901 0.2708359 -0.4688861), wk = 0.0034364 k( 228) = ( 0.5977513 0.2758481 -0.4571769), wk = 0.0034364 k( 229) = ( 0.6086126 0.2808604 -0.4454677), wk = 0.0034364 k( 230) = ( 0.6194738 0.2858726 -0.4337585), wk = 0.0034364 k( 231) = ( 0.6303351 0.2908848 -0.4220493), wk = 0.0034364 k( 232) = ( 0.6411963 0.2958970 -0.4103400), wk = 0.0034364 k( 233) = ( 0.6411963 0.2958970 -0.4103400), wk = 0.0034364 k( 234) = ( 0.6370435 0.2939806 -0.3937942), wk = 0.0034364 k( 235) = ( 0.6328907 0.2920641 -0.3772483), wk = 0.0034364 k( 236) = ( 0.6287378 0.2901477 -0.3607024), wk = 0.0034364 k( 237) = ( 0.6245850 0.2882313 -0.3441565), wk = 0.0034364 k( 238) = ( 0.6204322 0.2863148 -0.3276106), wk = 0.0034364 k( 239) = ( 0.6162793 0.2843984 -0.3110648), wk = 0.0034364 k( 240) = ( 0.6121265 0.2824820 -0.2945189), wk = 0.0034364 k( 241) = ( 0.6079737 0.2805655 -0.2779730), wk = 0.0034364 k( 242) = ( 0.6038208 0.2786491 -0.2614271), wk = 0.0034364 k( 243) = ( 0.5996680 0.2767327 -0.2448813), wk = 0.0034364 k( 244) = ( 0.5955152 0.2748162 -0.2283354), wk = 0.0034364 k( 245) = ( 0.5913623 0.2728998 -0.2117895), wk = 0.0034364 k( 246) = ( 0.5872095 0.2709833 -0.1952436), wk = 0.0034364 k( 247) = ( 0.5830567 0.2690669 -0.1786977), wk = 0.0034364 k( 248) = ( 0.5789038 0.2671505 -0.1621518), wk = 0.0034364 k( 249) = ( 0.5747510 0.2652340 -0.1456060), wk = 0.0034364 k( 250) = ( 0.5705982 0.2633176 -0.1290601), wk = 0.0034364 k( 251) = ( 0.5664453 0.2614012 -0.1125142), wk = 0.0034364 k( 252) = ( 0.5622925 0.2594847 -0.0959683), wk = 0.0034364 k( 253) = ( 0.5581397 0.2575683 -0.0794225), wk = 0.0034364 k( 254) = ( 0.5539868 0.2556519 -0.0628766), wk = 0.0034364 k( 255) = ( 0.5498340 0.2537354 -0.0463307), wk = 0.0034364 k( 256) = ( 0.5456812 0.2518190 -0.0297848), wk = 0.0034364 k( 257) = ( 0.5415283 0.2499026 -0.0132389), wk = 0.0034364 k( 258) = ( 0.5373755 0.2479861 0.0033069), wk = 0.0034364 k( 259) = ( 0.5332227 0.2460697 0.0198528), wk = 0.0034364 k( 260) = ( 0.5290698 0.2441533 0.0363987), wk = 0.0034364 k( 261) = ( 0.5249170 0.2422368 0.0529446), wk = 0.0034364 k( 262) = ( 0.5207642 0.2403204 0.0694905), wk = 0.0034364 k( 263) = ( 0.5166113 0.2384040 0.0860363), wk = 0.0034364 k( 264) = ( 0.5124585 0.2364875 0.1025822), wk = 0.0034364 k( 265) = ( 0.5083057 0.2345711 0.1191281), wk = 0.0034364 k( 266) = ( 0.5041528 0.2326547 0.1356740), wk = 0.0034364 k( 267) = ( 0.5000000 0.2307382 0.1522199), wk = 0.0034364 k( 268) = ( 0.5000000 -0.4263704 -0.2812799), wk = 0.0034364 k( 269) = ( 0.5122779 -0.4163383 -0.2746617), wk = 0.0034364 k( 270) = ( 0.5245559 -0.4063062 -0.2680434), wk = 0.0034364 k( 271) = ( 0.5368338 -0.3962741 -0.2614252), wk = 0.0034364 k( 272) = ( 0.5491118 -0.3862420 -0.2548069), wk = 0.0034364 k( 273) = ( 0.5613897 -0.3762099 -0.2481887), wk = 0.0034364 k( 274) = ( 0.5736676 -0.3661778 -0.2415704), wk = 0.0034364 k( 275) = ( 0.5859456 -0.3561457 -0.2349522), wk = 0.0034364 k( 276) = ( 0.5982235 -0.3461136 -0.2283339), wk = 0.0034364 k( 277) = ( 0.6105015 -0.3360815 -0.2217157), wk = 0.0034364 k( 278) = ( 0.6227794 -0.3260494 -0.2150974), wk = 0.0034364 k( 279) = ( 0.6350574 -0.3160173 -0.2084791), wk = 0.0034364 k( 280) = ( 0.6473353 -0.3059852 -0.2018609), wk = 0.0034364 k( 281) = ( 0.6596132 -0.2959531 -0.1952426), wk = 0.0034364 k( 282) = ( 0.6718912 -0.2859210 -0.1886244), wk = 0.0034364 k( 283) = ( 0.6841691 -0.2758889 -0.1820061), wk = 0.0034364 k( 284) = ( 0.6964471 -0.2658568 -0.1753879), wk = 0.0034364 k( 285) = ( 0.7087250 -0.2558247 -0.1687696), wk = 0.0034364 k( 286) = ( 0.7210030 -0.2457926 -0.1621514), wk = 0.0034364 k( 287) = ( 0.7332809 -0.2357605 -0.1555331), wk = 0.0034364 k( 288) = ( 0.7455588 -0.2257284 -0.1489149), wk = 0.0034364 k( 289) = ( 0.7578368 -0.2156963 -0.1422966), wk = 0.0034364 k( 290) = ( 0.7701147 -0.2056642 -0.1356784), wk = 0.0034364 k( 291) = ( 0.7823927 -0.1956321 -0.1290601), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0121951 -0.0000000 0.0000000), wk = 0.0034364 k( 3) = ( 0.0243902 -0.0000000 0.0000000), wk = 0.0034364 k( 4) = ( 0.0365854 -0.0000000 0.0000000), wk = 0.0034364 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0034364 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0034364 k( 7) = ( 0.0731707 -0.0000000 0.0000000), wk = 0.0034364 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0034364 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0034364 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0034364 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0034364 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0034364 k( 13) = ( 0.1463415 -0.0000000 0.0000000), wk = 0.0034364 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0034364 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0034364 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0034364 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0034364 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0034364 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0034364 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0034364 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0034364 k( 22) = ( 0.2560976 -0.0000000 0.0000000), wk = 0.0034364 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0034364 k( 24) = ( 0.2804878 -0.0000000 0.0000000), wk = 0.0034364 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0034364 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0034364 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0034364 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0034364 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0034364 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0034364 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0034364 k( 32) = ( 0.3780488 -0.0000000 0.0000000), wk = 0.0034364 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0034364 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0034364 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0034364 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0034364 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0034364 k( 38) = ( 0.4512195 -0.0000000 0.0000000), wk = 0.0034364 k( 39) = ( 0.4634146 -0.0000000 0.0000000), wk = 0.0034364 k( 40) = ( 0.4756098 -0.0000000 0.0000000), wk = 0.0034364 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0034364 k( 42) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034364 k( 43) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034364 k( 44) = ( 0.5000000 0.0072536 -0.0072536), wk = 0.0034364 k( 45) = ( 0.5000000 0.0145072 -0.0145072), wk = 0.0034364 k( 46) = ( 0.5000000 0.0217607 -0.0217607), wk = 0.0034364 k( 47) = ( 0.5000000 0.0290143 -0.0290143), wk = 0.0034364 k( 48) = ( 0.5000000 0.0362679 -0.0362679), wk = 0.0034364 k( 49) = ( 0.5000000 0.0435215 -0.0435215), wk = 0.0034364 k( 50) = ( 0.5000000 0.0507750 -0.0507750), wk = 0.0034364 k( 51) = ( 0.5000000 0.0580286 -0.0580286), wk = 0.0034364 k( 52) = ( 0.5000000 0.0652822 -0.0652822), wk = 0.0034364 k( 53) = ( 0.5000000 0.0725358 -0.0725358), wk = 0.0034364 k( 54) = ( 0.5000000 0.0797894 -0.0797894), wk = 0.0034364 k( 55) = ( 0.5000000 0.0870429 -0.0870429), wk = 0.0034364 k( 56) = ( 0.5000000 0.0942965 -0.0942965), wk = 0.0034364 k( 57) = ( 0.5000000 0.1015501 -0.1015501), wk = 0.0034364 k( 58) = ( 0.5000000 0.1088037 -0.1088037), wk = 0.0034364 k( 59) = ( 0.5000000 0.1160572 -0.1160573), wk = 0.0034364 k( 60) = ( 0.5000000 0.1233108 -0.1233108), wk = 0.0034364 k( 61) = ( 0.5000000 0.1305644 -0.1305644), wk = 0.0034364 k( 62) = ( 0.5000000 0.1378180 -0.1378180), wk = 0.0034364 k( 63) = ( 0.5000000 0.1450716 -0.1450716), wk = 0.0034364 k( 64) = ( 0.5000000 0.1523251 -0.1523251), wk = 0.0034364 k( 65) = ( 0.5000000 0.1595787 -0.1595787), wk = 0.0034364 k( 66) = ( 0.5000000 0.1668323 -0.1668323), wk = 0.0034364 k( 67) = ( 0.5000000 0.1740859 -0.1740859), wk = 0.0034364 k( 68) = ( 0.5000000 0.1813394 -0.1813394), wk = 0.0034364 k( 69) = ( 0.5000000 0.1885930 -0.1885930), wk = 0.0034364 k( 70) = ( 0.5000000 0.1958466 -0.1958466), wk = 0.0034364 k( 71) = ( 0.5000000 0.2031002 -0.2031002), wk = 0.0034364 k( 72) = ( 0.5000000 0.2103538 -0.2103538), wk = 0.0034364 k( 73) = ( 0.5000000 0.2176073 -0.2176073), wk = 0.0034364 k( 74) = ( 0.7823927 0.5000000 0.2176073), wk = 0.0034364 k( 75) = ( 0.7751518 0.5000000 0.2248482), wk = 0.0034364 k( 76) = ( 0.7679110 0.5000000 0.2320890), wk = 0.0034364 k( 77) = ( 0.7606702 0.5000000 0.2393298), wk = 0.0034364 k( 78) = ( 0.7534293 0.5000000 0.2465707), wk = 0.0034364 k( 79) = ( 0.7461885 0.5000000 0.2538115), wk = 0.0034364 k( 80) = ( 0.7389476 0.5000000 0.2610524), wk = 0.0034364 k( 81) = ( 0.7317068 0.5000000 0.2682932), wk = 0.0034364 k( 82) = ( 0.7244660 0.5000000 0.2755340), wk = 0.0034364 k( 83) = ( 0.7172251 0.5000000 0.2827749), wk = 0.0034364 k( 84) = ( 0.7099843 0.5000000 0.2900157), wk = 0.0034364 k( 85) = ( 0.7027435 0.5000000 0.2972566), wk = 0.0034364 k( 86) = ( 0.6955026 0.5000000 0.3044974), wk = 0.0034364 k( 87) = ( 0.6882618 0.5000000 0.3117382), wk = 0.0034364 k( 88) = ( 0.6810209 0.5000000 0.3189791), wk = 0.0034364 k( 89) = ( 0.6737801 0.5000000 0.3262199), wk = 0.0034364 k( 90) = ( 0.6665393 0.5000000 0.3334607), wk = 0.0034364 k( 91) = ( 0.6592984 0.5000000 0.3407016), wk = 0.0034364 k( 92) = ( 0.6520576 0.5000000 0.3479424), wk = 0.0034364 k( 93) = ( 0.6448168 0.5000000 0.3551833), wk = 0.0034364 k( 94) = ( 0.6375759 0.5000000 0.3624241), wk = 0.0034364 k( 95) = ( 0.6303351 0.5000000 0.3696649), wk = 0.0034364 k( 96) = ( 0.6230942 0.5000000 0.3769058), wk = 0.0034364 k( 97) = ( 0.6158534 0.5000000 0.3841466), wk = 0.0034364 k( 98) = ( 0.6086126 0.5000000 0.3913874), wk = 0.0034364 k( 99) = ( 0.6013717 0.5000000 0.3986283), wk = 0.0034364 k( 100) = ( 0.5941309 0.5000000 0.4058691), wk = 0.0034364 k( 101) = ( 0.5868901 0.5000000 0.4131099), wk = 0.0034364 k( 102) = ( 0.5796492 0.5000000 0.4203508), wk = 0.0034364 k( 103) = ( 0.5724084 0.5000000 0.4275916), wk = 0.0034364 k( 104) = ( 0.5651675 0.5000000 0.4348325), wk = 0.0034364 k( 105) = ( 0.5579267 0.5000000 0.4420733), wk = 0.0034364 k( 106) = ( 0.5506859 0.5000000 0.4493141), wk = 0.0034364 k( 107) = ( 0.5434450 0.5000000 0.4565550), wk = 0.0034364 k( 108) = ( 0.5362042 0.5000000 0.4637958), wk = 0.0034364 k( 109) = ( 0.5289634 0.5000000 0.4710367), wk = 0.0034364 k( 110) = ( 0.5217225 0.5000000 0.4782775), wk = 0.0034364 k( 111) = ( 0.5144817 0.5000000 0.4855183), wk = 0.0034364 k( 112) = ( 0.5072408 0.5000000 0.4927592), wk = 0.0034364 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 115) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0034364 k( 116) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0034364 k( 117) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0034364 k( 118) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0034364 k( 119) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0034364 k( 120) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034364 k( 121) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0034364 k( 122) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0034364 k( 123) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034364 k( 124) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0034364 k( 125) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034364 k( 126) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034364 k( 127) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0034364 k( 128) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0034364 k( 129) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034364 k( 130) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0034364 k( 131) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0034364 k( 132) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034364 k( 133) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0034364 k( 134) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0034364 k( 135) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034364 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034364 k( 137) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0034364 k( 138) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034364 k( 139) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0034364 k( 140) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0034364 k( 141) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034364 k( 142) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0034364 k( 143) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0034364 k( 144) = ( 0.0454546 0.0454546 0.0454545), wk = 0.0034364 k( 145) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0034364 k( 146) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0034364 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 149) = ( 0.0073225 -0.0000000 -0.0073225), wk = 0.0034364 k( 150) = ( 0.0146450 -0.0000000 -0.0146450), wk = 0.0034364 k( 151) = ( 0.0219676 -0.0000000 -0.0219676), wk = 0.0034364 k( 152) = ( 0.0292901 -0.0000000 -0.0292901), wk = 0.0034364 k( 153) = ( 0.0366126 -0.0000000 -0.0366126), wk = 0.0034364 k( 154) = ( 0.0439351 -0.0000000 -0.0439351), wk = 0.0034364 k( 155) = ( 0.0512577 -0.0000000 -0.0512577), wk = 0.0034364 k( 156) = ( 0.0585802 -0.0000000 -0.0585802), wk = 0.0034364 k( 157) = ( 0.0659027 -0.0000000 -0.0659027), wk = 0.0034364 k( 158) = ( 0.0732252 -0.0000000 -0.0732252), wk = 0.0034364 k( 159) = ( 0.0805478 -0.0000000 -0.0805478), wk = 0.0034364 k( 160) = ( 0.0878703 -0.0000000 -0.0878703), wk = 0.0034364 k( 161) = ( 0.0951928 -0.0000000 -0.0951928), wk = 0.0034364 k( 162) = ( 0.1025153 -0.0000000 -0.1025153), wk = 0.0034364 k( 163) = ( 0.1098379 -0.0000000 -0.1098379), wk = 0.0034364 k( 164) = ( 0.1171604 -0.0000000 -0.1171604), wk = 0.0034364 k( 165) = ( 0.1244829 -0.0000000 -0.1244829), wk = 0.0034364 k( 166) = ( 0.1318054 -0.0000000 -0.1318054), wk = 0.0034364 k( 167) = ( 0.1391280 -0.0000000 -0.1391280), wk = 0.0034364 k( 168) = ( 0.1464505 -0.0000000 -0.1464505), wk = 0.0034364 k( 169) = ( 0.1537730 -0.0000000 -0.1537730), wk = 0.0034364 k( 170) = ( 0.1610955 -0.0000000 -0.1610955), wk = 0.0034364 k( 171) = ( 0.1684181 -0.0000000 -0.1684180), wk = 0.0034364 k( 172) = ( 0.1757406 -0.0000000 -0.1757406), wk = 0.0034364 k( 173) = ( 0.1830631 -0.0000000 -0.1830631), wk = 0.0034364 k( 174) = ( 0.1903856 -0.0000000 -0.1903856), wk = 0.0034364 k( 175) = ( 0.1977081 -0.0000000 -0.1977081), wk = 0.0034364 k( 176) = ( 0.2050307 -0.0000000 -0.2050307), wk = 0.0034364 k( 177) = ( 0.2123532 -0.0000000 -0.2123532), wk = 0.0034364 k( 178) = ( 0.2196757 -0.0000000 -0.2196757), wk = 0.0034364 k( 179) = ( 0.2269982 -0.0000000 -0.2269982), wk = 0.0034364 k( 180) = ( 0.2343208 -0.0000000 -0.2343208), wk = 0.0034364 k( 181) = ( 0.2416433 -0.0000000 -0.2416433), wk = 0.0034364 k( 182) = ( 0.2489658 -0.0000000 -0.2489658), wk = 0.0034364 k( 183) = ( 0.2562883 -0.0000000 -0.2562883), wk = 0.0034364 k( 184) = ( 0.2636109 -0.0000000 -0.2636109), wk = 0.0034364 k( 185) = ( 0.2709334 -0.0000000 -0.2709334), wk = 0.0034364 k( 186) = ( 0.2782559 -0.0000000 -0.2782559), wk = 0.0034364 k( 187) = ( 0.2855784 -0.0000000 -0.2855784), wk = 0.0034364 k( 188) = ( 0.2929009 -0.0000000 -0.2929009), wk = 0.0034364 k( 189) = ( 0.3002235 0.0000000 -0.3002235), wk = 0.0034364 k( 190) = ( 0.3075460 -0.0000000 -0.3075460), wk = 0.0034364 k( 191) = ( 0.3148685 -0.0000000 -0.3148685), wk = 0.0034364 k( 192) = ( 0.3221910 -0.0000000 -0.3221910), wk = 0.0034364 k( 193) = ( 0.3295136 -0.0000000 -0.3295136), wk = 0.0034364 k( 194) = ( 0.3368361 -0.0000000 -0.3368361), wk = 0.0034364 k( 195) = ( 0.3441586 0.0000000 -0.3441586), wk = 0.0034364 k( 196) = ( 0.3514812 -0.0000000 -0.3514812), wk = 0.0034364 k( 197) = ( 0.3588037 -0.0000000 -0.3588037), wk = 0.0034364 k( 198) = ( 0.6411963 0.3588037 -0.0000000), wk = 0.0034364 k( 199) = ( 0.6341365 0.3658635 0.0000000), wk = 0.0034364 k( 200) = ( 0.6270767 0.3729233 0.0000000), wk = 0.0034364 k( 201) = ( 0.6200169 0.3799831 0.0000000), wk = 0.0034364 k( 202) = ( 0.6129571 0.3870429 0.0000000), wk = 0.0034364 k( 203) = ( 0.6058973 0.3941028 0.0000000), wk = 0.0034364 k( 204) = ( 0.5988374 0.4011626 -0.0000000), wk = 0.0034364 k( 205) = ( 0.5917776 0.4082224 0.0000000), wk = 0.0034364 k( 206) = ( 0.5847178 0.4152822 -0.0000000), wk = 0.0034364 k( 207) = ( 0.5776580 0.4223420 -0.0000000), wk = 0.0034364 k( 208) = ( 0.5705982 0.4294018 0.0000000), wk = 0.0034364 k( 209) = ( 0.5635383 0.4364616 -0.0000000), wk = 0.0034364 k( 210) = ( 0.5564785 0.4435215 0.0000000), wk = 0.0034364 k( 211) = ( 0.5494187 0.4505813 0.0000000), wk = 0.0034364 k( 212) = ( 0.5423589 0.4576411 0.0000000), wk = 0.0034364 k( 213) = ( 0.5352991 0.4647009 0.0000000), wk = 0.0034364 k( 214) = ( 0.5282393 0.4717607 0.0000000), wk = 0.0034364 k( 215) = ( 0.5211794 0.4788206 0.0000000), wk = 0.0034364 k( 216) = ( 0.5141196 0.4858804 0.0000000), wk = 0.0034364 k( 217) = ( 0.5070598 0.4929402 0.0000000), wk = 0.0034364 k( 218) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 219) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 220) = ( 0.5108613 0.5108613 0.0167390), wk = 0.0034364 k( 221) = ( 0.5217225 0.5217225 0.0334780), wk = 0.0034364 k( 222) = ( 0.5325838 0.5325838 0.0502171), wk = 0.0034364 k( 223) = ( 0.5434450 0.5434450 0.0669561), wk = 0.0034364 k( 224) = ( 0.5543063 0.5543063 0.0836951), wk = 0.0034364 k( 225) = ( 0.5651675 0.5651675 0.1004342), wk = 0.0034364 k( 226) = ( 0.5760288 0.5760288 0.1171732), wk = 0.0034364 k( 227) = ( 0.5868901 0.5868901 0.1339122), wk = 0.0034364 k( 228) = ( 0.5977513 0.5977513 0.1506512), wk = 0.0034364 k( 229) = ( 0.6086126 0.6086126 0.1673903), wk = 0.0034364 k( 230) = ( 0.6194738 0.6194738 0.1841293), wk = 0.0034364 k( 231) = ( 0.6303351 0.6303351 0.2008683), wk = 0.0034364 k( 232) = ( 0.6411963 0.6411963 0.2176073), wk = 0.0034364 k( 233) = ( 0.6411963 0.6411963 0.2176073), wk = 0.0034364 k( 234) = ( 0.6370435 0.6370435 0.2259130), wk = 0.0034364 k( 235) = ( 0.6328907 0.6328907 0.2342187), wk = 0.0034364 k( 236) = ( 0.6287378 0.6287378 0.2425243), wk = 0.0034364 k( 237) = ( 0.6245850 0.6245850 0.2508300), wk = 0.0034364 k( 238) = ( 0.6204322 0.6204322 0.2591357), wk = 0.0034364 k( 239) = ( 0.6162793 0.6162793 0.2674413), wk = 0.0034364 k( 240) = ( 0.6121265 0.6121265 0.2757470), wk = 0.0034364 k( 241) = ( 0.6079737 0.6079737 0.2840527), wk = 0.0034364 k( 242) = ( 0.6038208 0.6038208 0.2923583), wk = 0.0034364 k( 243) = ( 0.5996680 0.5996680 0.3006640), wk = 0.0034364 k( 244) = ( 0.5955152 0.5955152 0.3089697), wk = 0.0034364 k( 245) = ( 0.5913623 0.5913623 0.3172753), wk = 0.0034364 k( 246) = ( 0.5872095 0.5872095 0.3255810), wk = 0.0034364 k( 247) = ( 0.5830567 0.5830567 0.3338867), wk = 0.0034364 k( 248) = ( 0.5789038 0.5789038 0.3421923), wk = 0.0034364 k( 249) = ( 0.5747510 0.5747510 0.3504980), wk = 0.0034364 k( 250) = ( 0.5705982 0.5705982 0.3588037), wk = 0.0034364 k( 251) = ( 0.5664453 0.5664453 0.3671093), wk = 0.0034364 k( 252) = ( 0.5622925 0.5622925 0.3754150), wk = 0.0034364 k( 253) = ( 0.5581397 0.5581397 0.3837207), wk = 0.0034364 k( 254) = ( 0.5539868 0.5539868 0.3920263), wk = 0.0034364 k( 255) = ( 0.5498340 0.5498340 0.4003320), wk = 0.0034364 k( 256) = ( 0.5456812 0.5456812 0.4086377), wk = 0.0034364 k( 257) = ( 0.5415283 0.5415283 0.4169433), wk = 0.0034364 k( 258) = ( 0.5373755 0.5373755 0.4252490), wk = 0.0034364 k( 259) = ( 0.5332227 0.5332227 0.4335547), wk = 0.0034364 k( 260) = ( 0.5290698 0.5290698 0.4418603), wk = 0.0034364 k( 261) = ( 0.5249170 0.5249170 0.4501660), wk = 0.0034364 k( 262) = ( 0.5207642 0.5207642 0.4584717), wk = 0.0034364 k( 263) = ( 0.5166113 0.5166113 0.4667773), wk = 0.0034364 k( 264) = ( 0.5124585 0.5124585 0.4750830), wk = 0.0034364 k( 265) = ( 0.5083057 0.5083057 0.4833887), wk = 0.0034364 k( 266) = ( 0.5041528 0.5041528 0.4916943), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 268) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034364 k( 269) = ( 0.5122779 0.0156002 0.0156002), wk = 0.0034364 k( 270) = ( 0.5245559 0.0312003 0.0312003), wk = 0.0034364 k( 271) = ( 0.5368338 0.0468005 0.0468005), wk = 0.0034364 k( 272) = ( 0.5491118 0.0624006 0.0624006), wk = 0.0034364 k( 273) = ( 0.5613897 0.0780008 0.0780008), wk = 0.0034364 k( 274) = ( 0.5736676 0.0936010 0.0936010), wk = 0.0034364 k( 275) = ( 0.5859456 0.1092011 0.1092011), wk = 0.0034364 k( 276) = ( 0.5982235 0.1248013 0.1248013), wk = 0.0034364 k( 277) = ( 0.6105015 0.1404014 0.1404014), wk = 0.0034364 k( 278) = ( 0.6227794 0.1560016 0.1560016), wk = 0.0034364 k( 279) = ( 0.6350574 0.1716018 0.1716018), wk = 0.0034364 k( 280) = ( 0.6473353 0.1872019 0.1872019), wk = 0.0034364 k( 281) = ( 0.6596132 0.2028021 0.2028021), wk = 0.0034364 k( 282) = ( 0.6718912 0.2184022 0.2184022), wk = 0.0034364 k( 283) = ( 0.6841691 0.2340024 0.2340024), wk = 0.0034364 k( 284) = ( 0.6964471 0.2496025 0.2496026), wk = 0.0034364 k( 285) = ( 0.7087250 0.2652027 0.2652027), wk = 0.0034364 k( 286) = ( 0.7210030 0.2808029 0.2808029), wk = 0.0034364 k( 287) = ( 0.7332809 0.2964030 0.2964030), wk = 0.0034364 k( 288) = ( 0.7455588 0.3120032 0.3120032), wk = 0.0034364 k( 289) = ( 0.7578368 0.3276033 0.3276033), wk = 0.0034364 k( 290) = ( 0.7701147 0.3432035 0.3432035), wk = 0.0034364 k( 291) = ( 0.7823927 0.3588037 0.3588037), wk = 0.0034364 Dense grid: 59777 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 26271 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 194, 70) NL pseudopotentials 0.27 Mb ( 97, 180) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1661) G-vector shells 0.01 Mb ( 1343) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 194, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.38 Mb ( 180, 2, 70) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./FeBO3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 9.9 secs Computing kpt #: 7 total cpu time spent up to now is 11.3 secs Computing kpt #: 8 total cpu time spent up to now is 12.7 secs Computing kpt #: 9 total cpu time spent up to now is 14.1 secs Computing kpt #: 10 total cpu time spent up to now is 15.1 secs Computing kpt #: 11 total cpu time spent up to now is 16.0 secs Computing kpt #: 12 total cpu time spent up to now is 16.9 secs Computing kpt #: 13 total cpu time spent up to now is 17.9 secs Computing kpt #: 14 total cpu time spent up to now is 18.8 secs Computing kpt #: 15 total cpu time spent up to now is 19.7 secs Computing kpt #: 16 total cpu time spent up to now is 20.6 secs Computing kpt #: 17 total cpu time spent up to now is 21.5 secs Computing kpt #: 18 total cpu time spent up to now is 22.4 secs Computing kpt #: 19 total cpu time spent up to now is 23.3 secs Computing kpt #: 20 total cpu time spent up to now is 24.1 secs Computing kpt #: 21 total cpu time spent up to now is 24.9 secs Computing kpt #: 22 total cpu time spent up to now is 25.7 secs Computing kpt #: 23 total cpu time spent up to now is 26.5 secs Computing kpt #: 24 total cpu time spent up to now is 27.2 secs Computing kpt #: 25 total cpu time spent up to now is 28.0 secs Computing kpt #: 26 total cpu time spent up to now is 28.8 secs Computing kpt #: 27 total cpu time spent up to now is 29.6 secs Computing kpt #: 28 total cpu time spent up to now is 30.4 secs Computing kpt #: 29 total cpu time spent up to now is 31.3 secs Computing kpt #: 30 total cpu time spent up to now is 32.1 secs Computing kpt #: 31 total cpu time spent up to now is 33.0 secs Computing kpt #: 32 total cpu time spent up to now is 33.9 secs Computing kpt #: 33 total cpu time spent up to now is 34.9 secs Computing kpt #: 34 total cpu time spent up to now is 36.0 secs Computing kpt #: 35 total cpu time spent up to now is 37.1 secs Computing kpt #: 36 total cpu time spent up to now is 38.2 secs Computing kpt #: 37 total cpu time spent up to now is 39.9 secs Computing kpt #: 38 total cpu time spent up to now is 41.5 secs Computing kpt #: 39 total cpu time spent up to now is 42.8 secs Computing kpt #: 40 total cpu time spent up to now is 44.4 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.6 secs Computing kpt #: 42 total cpu time spent up to now is 47.3 secs Computing kpt #: 43 total cpu time spent up to now is 48.0 secs Computing kpt #: 44 total cpu time spent up to now is 48.7 secs Computing kpt #: 45 total cpu time spent up to now is 49.4 secs Computing kpt #: 46 total cpu time spent up to now is 50.1 secs Computing kpt #: 47 total cpu time spent up to now is 50.8 secs Computing kpt #: 48 total cpu time spent up to now is 51.5 secs Computing kpt #: 49 total cpu time spent up to now is 52.2 secs Computing kpt #: 50 total cpu time spent up to now is 52.9 secs Computing kpt #: 51 total cpu time spent up to now is 53.6 secs Computing kpt #: 52 total cpu time spent up to now is 54.3 secs Computing kpt #: 53 total cpu time spent up to now is 54.9 secs Computing kpt #: 54 total cpu time spent up to now is 55.6 secs Computing kpt #: 55 total cpu time spent up to now is 56.3 secs Computing kpt #: 56 total cpu time spent up to now is 57.0 secs Computing kpt #: 57 total cpu time spent up to now is 57.7 secs Computing kpt #: 58 total cpu time spent up to now is 58.4 secs Computing kpt #: 59 total cpu time spent up to now is 59.1 secs Computing kpt #: 60 total cpu time spent up to now is 59.7 secs Computing kpt #: 61 total cpu time spent up to now is 60.4 secs Computing kpt #: 62 total cpu time spent up to now is 61.1 secs Computing kpt #: 63 total cpu time spent up to now is 61.8 secs Computing kpt #: 64 total cpu time spent up to now is 62.5 secs Computing kpt #: 65 total cpu time spent up to now is 63.1 secs Computing kpt #: 66 total cpu time spent up to now is 63.8 secs Computing kpt #: 67 total cpu time spent up to now is 64.4 secs Computing kpt #: 68 total cpu time spent up to now is 65.1 secs Computing kpt #: 69 total cpu time spent up to now is 65.8 secs Computing kpt #: 70 total cpu time spent up to now is 66.4 secs Computing kpt #: 71 total cpu time spent up to now is 67.1 secs Computing kpt #: 72 total cpu time spent up to now is 67.8 secs Computing kpt #: 73 total cpu time spent up to now is 68.5 secs Computing kpt #: 74 total cpu time spent up to now is 69.1 secs Computing kpt #: 75 total cpu time spent up to now is 69.8 secs Computing kpt #: 76 total cpu time spent up to now is 70.5 secs Computing kpt #: 77 total cpu time spent up to now is 71.2 secs Computing kpt #: 78 total cpu time spent up to now is 71.9 secs Computing kpt #: 79 total cpu time spent up to now is 72.5 secs Computing kpt #: 80 total cpu time spent up to now is 73.2 secs Computing kpt #: 81 total cpu time spent up to now is 73.9 secs Computing kpt #: 82 total cpu time spent up to now is 74.6 secs Computing kpt #: 83 total cpu time spent up to now is 75.3 secs Computing kpt #: 84 total cpu time spent up to now is 76.0 secs Computing kpt #: 85 total cpu time spent up to now is 76.7 secs Computing kpt #: 86 total cpu time spent up to now is 77.4 secs Computing kpt #: 87 total cpu time spent up to now is 78.0 secs Computing kpt #: 88 total cpu time spent up to now is 78.7 secs Computing kpt #: 89 total cpu time spent up to now is 79.4 secs Computing kpt #: 90 total cpu time spent up to now is 80.1 secs Computing kpt #: 91 total cpu time spent up to now is 80.8 secs Computing kpt #: 92 total cpu time spent up to now is 81.5 secs Computing kpt #: 93 total cpu time spent up to now is 82.2 secs Computing kpt #: 94 total cpu time spent up to now is 83.0 secs Computing kpt #: 95 total cpu time spent up to now is 83.7 secs Computing kpt #: 96 total cpu time spent up to now is 84.4 secs Computing kpt #: 97 total cpu time spent up to now is 85.1 secs Computing kpt #: 98 total cpu time spent up to now is 85.9 secs Computing kpt #: 99 total cpu time spent up to now is 86.7 secs Computing kpt #: 100 total cpu time spent up to now is 87.5 secs Computing kpt #: 101 total cpu time spent up to now is 88.2 secs Computing kpt #: 102 total cpu time spent up to now is 88.9 secs Computing kpt #: 103 total cpu time spent up to now is 89.6 secs Computing kpt #: 104 total cpu time spent up to now is 90.3 secs Computing kpt #: 105 total cpu time spent up to now is 91.1 secs Computing kpt #: 106 total cpu time spent up to now is 91.9 secs Computing kpt #: 107 total cpu time spent up to now is 92.6 secs Computing kpt #: 108 total cpu time spent up to now is 93.4 secs Computing kpt #: 109 total cpu time spent up to now is 94.2 secs Computing kpt #: 110 total cpu time spent up to now is 95.0 secs Computing kpt #: 111 total cpu time spent up to now is 95.8 secs Computing kpt #: 112 total cpu time spent up to now is 96.6 secs Computing kpt #: 113 total cpu time spent up to now is 97.4 secs Computing kpt #: 114 total cpu time spent up to now is 98.1 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.3 secs Computing kpt #: 116 total cpu time spent up to now is 102.0 secs Computing kpt #: 117 total cpu time spent up to now is 103.2 secs Computing kpt #: 118 total cpu time spent up to now is 104.3 secs Computing kpt #: 119 total cpu time spent up to now is 105.4 secs Computing kpt #: 120 total cpu time spent up to now is 106.4 secs Computing kpt #: 121 total cpu time spent up to now is 107.3 secs Computing kpt #: 122 total cpu time spent up to now is 108.2 secs Computing kpt #: 123 total cpu time spent up to now is 109.0 secs Computing kpt #: 124 total cpu time spent up to now is 109.8 secs Computing kpt #: 125 total cpu time spent up to now is 110.6 secs Computing kpt #: 126 total cpu time spent up to now is 111.4 secs Computing kpt #: 127 total cpu time spent up to now is 112.2 secs Computing kpt #: 128 total cpu time spent up to now is 113.0 secs Computing kpt #: 129 total cpu time spent up to now is 113.9 secs Computing kpt #: 130 total cpu time spent up to now is 114.7 secs Computing kpt #: 131 total cpu time spent up to now is 115.5 secs Computing kpt #: 132 total cpu time spent up to now is 116.4 secs Computing kpt #: 133 total cpu time spent up to now is 117.3 secs Computing kpt #: 134 total cpu time spent up to now is 118.2 secs Computing kpt #: 135 total cpu time spent up to now is 119.1 secs Computing kpt #: 136 total cpu time spent up to now is 120.1 secs Computing kpt #: 137 total cpu time spent up to now is 121.0 secs Computing kpt #: 138 total cpu time spent up to now is 121.9 secs Computing kpt #: 139 total cpu time spent up to now is 122.8 secs Computing kpt #: 140 total cpu time spent up to now is 124.1 secs Computing kpt #: 141 total cpu time spent up to now is 125.0 secs Computing kpt #: 142 total cpu time spent up to now is 125.9 secs Computing kpt #: 143 total cpu time spent up to now is 127.5 secs Computing kpt #: 144 total cpu time spent up to now is 129.0 secs Computing kpt #: 145 total cpu time spent up to now is 131.0 secs Computing kpt #: 146 total cpu time spent up to now is 132.5 secs Computing kpt #: 147 total cpu time spent up to now is 133.9 secs Computing kpt #: 148 total cpu time spent up to now is 135.8 secs Computing kpt #: 149 total cpu time spent up to now is 137.3 secs Computing kpt #: 150 total cpu time spent up to now is 138.7 secs Computing kpt #: 151 total cpu time spent up to now is 140.3 secs Computing kpt #: 152 total cpu time spent up to now is 141.2 secs Computing kpt #: 153 total cpu time spent up to now is 142.2 secs Computing kpt #: 154 total cpu time spent up to now is 143.0 secs Computing kpt #: 155 total cpu time spent up to now is 143.9 secs Computing kpt #: 156 total cpu time spent up to now is 144.9 secs Computing kpt #: 157 total cpu time spent up to now is 145.7 secs Computing kpt #: 158 total cpu time spent up to now is 146.6 secs Computing kpt #: 159 total cpu time spent up to now is 147.4 secs Computing kpt #: 160 total cpu time spent up to now is 148.3 secs Computing kpt #: 161 total cpu time spent up to now is 149.1 secs Computing kpt #: 162 total cpu time spent up to now is 149.9 secs Computing kpt #: 163 total cpu time spent up to now is 150.7 secs Computing kpt #: 164 total cpu time spent up to now is 151.5 secs Computing kpt #: 165 total cpu time spent up to now is 152.3 secs Computing kpt #: 166 total cpu time spent up to now is 153.1 secs Computing kpt #: 167 total cpu time spent up to now is 153.9 secs Computing kpt #: 168 total cpu time spent up to now is 154.6 secs Computing kpt #: 169 total cpu time spent up to now is 155.3 secs Computing kpt #: 170 total cpu time spent up to now is 156.0 secs Computing kpt #: 171 total cpu time spent up to now is 156.7 secs Computing kpt #: 172 total cpu time spent up to now is 157.4 secs Computing kpt #: 173 total cpu time spent up to now is 158.1 secs Computing kpt #: 174 total cpu time spent up to now is 158.8 secs Computing kpt #: 175 total cpu time spent up to now is 159.5 secs Computing kpt #: 176 total cpu time spent up to now is 160.3 secs Computing kpt #: 177 total cpu time spent up to now is 161.0 secs Computing kpt #: 178 total cpu time spent up to now is 161.8 secs Computing kpt #: 179 total cpu time spent up to now is 162.6 secs Computing kpt #: 180 total cpu time spent up to now is 163.4 secs Computing kpt #: 181 total cpu time spent up to now is 164.2 secs Computing kpt #: 182 total cpu time spent up to now is 165.0 secs Computing kpt #: 183 total cpu time spent up to now is 165.9 secs Computing kpt #: 184 total cpu time spent up to now is 166.7 secs Computing kpt #: 185 total cpu time spent up to now is 167.5 secs Computing kpt #: 186 total cpu time spent up to now is 168.4 secs Computing kpt #: 187 total cpu time spent up to now is 169.2 secs Computing kpt #: 188 total cpu time spent up to now is 170.3 secs Computing kpt #: 189 total cpu time spent up to now is 171.4 secs Computing kpt #: 190 total cpu time spent up to now is 172.3 secs Computing kpt #: 191 total cpu time spent up to now is 173.2 secs Computing kpt #: 192 total cpu time spent up to now is 174.1 secs Computing kpt #: 193 total cpu time spent up to now is 175.7 secs Computing kpt #: 194 total cpu time spent up to now is 177.2 secs Computing kpt #: 195 total cpu time spent up to now is 178.6 secs Computing kpt #: 196 total cpu time spent up to now is 180.6 secs Computing kpt #: 197 total cpu time spent up to now is 182.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.2 secs Computing kpt #: 199 total cpu time spent up to now is 185.9 secs Computing kpt #: 200 total cpu time spent up to now is 186.9 secs Computing kpt #: 201 total cpu time spent up to now is 188.4 secs Computing kpt #: 202 total cpu time spent up to now is 189.3 secs Computing kpt #: 203 total cpu time spent up to now is 190.2 secs Computing kpt #: 204 total cpu time spent up to now is 191.1 secs Computing kpt #: 205 total cpu time spent up to now is 192.0 secs Computing kpt #: 206 total cpu time spent up to now is 192.9 secs Computing kpt #: 207 total cpu time spent up to now is 193.8 secs Computing kpt #: 208 total cpu time spent up to now is 194.7 secs Computing kpt #: 209 total cpu time spent up to now is 195.5 secs Computing kpt #: 210 total cpu time spent up to now is 196.4 secs Computing kpt #: 211 total cpu time spent up to now is 197.5 secs Computing kpt #: 212 total cpu time spent up to now is 198.5 secs Computing kpt #: 213 total cpu time spent up to now is 199.3 secs Computing kpt #: 214 total cpu time spent up to now is 200.2 secs Computing kpt #: 215 total cpu time spent up to now is 201.0 secs Computing kpt #: 216 total cpu time spent up to now is 201.8 secs Computing kpt #: 217 total cpu time spent up to now is 202.7 secs Computing kpt #: 218 total cpu time spent up to now is 203.6 secs Computing kpt #: 219 total cpu time spent up to now is 204.4 secs Computing kpt #: 220 total cpu time spent up to now is 205.3 secs Computing kpt #: 221 total cpu time spent up to now is 206.1 secs Computing kpt #: 222 total cpu time spent up to now is 207.1 secs Computing kpt #: 223 total cpu time spent up to now is 208.0 secs Computing kpt #: 224 total cpu time spent up to now is 209.1 secs Computing kpt #: 225 total cpu time spent up to now is 210.0 secs Computing kpt #: 226 total cpu time spent up to now is 211.1 secs Computing kpt #: 227 total cpu time spent up to now is 212.2 secs Computing kpt #: 228 total cpu time spent up to now is 213.4 secs Computing kpt #: 229 total cpu time spent up to now is 214.8 secs Computing kpt #: 230 total cpu time spent up to now is 216.1 secs Computing kpt #: 231 total cpu time spent up to now is 217.3 secs Computing kpt #: 232 total cpu time spent up to now is 218.6 secs Computing kpt #: 233 total cpu time spent up to now is 220.0 secs Computing kpt #: 234 total cpu time spent up to now is 221.4 secs Computing kpt #: 235 total cpu time spent up to now is 222.8 secs Computing kpt #: 236 total cpu time spent up to now is 224.1 secs Computing kpt #: 237 total cpu time spent up to now is 225.4 secs Computing kpt #: 238 total cpu time spent up to now is 227.1 secs Computing kpt #: 239 total cpu time spent up to now is 228.8 secs Computing kpt #: 240 total cpu time spent up to now is 230.2 secs Computing kpt #: 241 total cpu time spent up to now is 231.7 secs Computing kpt #: 242 total cpu time spent up to now is 233.4 secs Computing kpt #: 243 total cpu time spent up to now is 235.3 secs Computing kpt #: 244 total cpu time spent up to now is 237.0 secs Computing kpt #: 245 total cpu time spent up to now is 238.4 secs Computing kpt #: 246 total cpu time spent up to now is 240.4 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.6 secs Computing kpt #: 248 total cpu time spent up to now is 244.1 secs Computing kpt #: 249 total cpu time spent up to now is 245.5 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.7 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.8 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.0 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.1 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.3 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.4 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.5 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.6 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.7 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.9 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 268.9 secs Computing kpt #: 261 total cpu time spent up to now is 269.7 secs Computing kpt #: 262 total cpu time spent up to now is 270.5 secs Computing kpt #: 263 total cpu time spent up to now is 271.2 secs Computing kpt #: 264 total cpu time spent up to now is 272.0 secs Computing kpt #: 265 total cpu time spent up to now is 272.7 secs Computing kpt #: 266 total cpu time spent up to now is 273.5 secs Computing kpt #: 267 total cpu time spent up to now is 274.3 secs Computing kpt #: 268 total cpu time spent up to now is 275.0 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.2 secs Computing kpt #: 270 total cpu time spent up to now is 279.2 secs Computing kpt #: 271 total cpu time spent up to now is 281.0 secs Computing kpt #: 272 total cpu time spent up to now is 282.4 secs Computing kpt #: 273 total cpu time spent up to now is 283.9 secs Computing kpt #: 274 total cpu time spent up to now is 285.5 secs Computing kpt #: 275 total cpu time spent up to now is 287.0 secs Computing kpt #: 276 total cpu time spent up to now is 288.4 secs Computing kpt #: 277 total cpu time spent up to now is 289.8 secs Computing kpt #: 278 total cpu time spent up to now is 291.2 secs Computing kpt #: 279 total cpu time spent up to now is 292.4 secs Computing kpt #: 280 total cpu time spent up to now is 293.8 secs Computing kpt #: 281 total cpu time spent up to now is 295.2 secs Computing kpt #: 282 total cpu time spent up to now is 296.6 secs Computing kpt #: 283 total cpu time spent up to now is 297.5 secs Computing kpt #: 284 total cpu time spent up to now is 298.7 secs Computing kpt #: 285 total cpu time spent up to now is 299.8 secs Computing kpt #: 286 total cpu time spent up to now is 300.7 secs Computing kpt #: 287 total cpu time spent up to now is 301.6 secs Computing kpt #: 288 total cpu time spent up to now is 302.7 secs Computing kpt #: 289 total cpu time spent up to now is 303.8 secs Computing kpt #: 290 total cpu time spent up to now is 305.2 secs Computing kpt #: 291 total cpu time spent up to now is 306.5 secs ethr = 1.72E-08, avg # of iterations = 42.4 total cpu time spent up to now is 306.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3319 PWs) bands (ev): -13.5287 -13.5287 -12.4686 -12.4686 -11.4063 -11.4063 -11.4063 -11.4063 -11.1201 -11.1201 -11.1161 -11.1161 -0.2523 -0.2523 -0.0141 -0.0141 0.0720 0.0720 0.5271 0.5271 0.5349 0.5349 0.7199 0.7199 0.7220 0.7220 2.7378 2.7378 2.7438 2.7438 3.3336 3.3336 3.4769 3.4769 4.4624 4.4624 4.4865 4.4865 4.5299 4.5299 4.5339 4.5339 5.2004 5.2004 5.9433 5.9433 5.9560 5.9560 6.7452 6.7452 6.8276 6.8276 6.8480 6.8480 7.2777 7.2777 7.3569 7.3569 7.4963 7.4963 8.4031 8.4031 8.4213 8.4213 9.6335 9.6335 9.6556 9.6556 12.8686 12.8686 k = 0.0122-0.0104-0.0069 ( 3316 PWs) bands (ev): -13.5281 -13.5281 -12.4687 -12.4687 -11.4065 -11.4065 -11.4063 -11.4063 -11.1205 -11.1205 -11.1165 -11.1165 -0.2529 -0.2529 -0.0128 -0.0128 0.0715 0.0715 0.5281 0.5281 0.5361 0.5361 0.7193 0.7193 0.7232 0.7232 2.7369 2.7369 2.7434 2.7434 3.3359 3.3359 3.4773 3.4773 4.4586 4.4586 4.4818 4.4818 4.5327 4.5327 4.5369 4.5369 5.2004 5.2004 5.9412 5.9412 5.9540 5.9540 6.7463 6.7463 6.8280 6.8280 6.8485 6.8485 7.2776 7.2776 7.3568 7.3568 7.4961 7.4961 8.4031 8.4031 8.4213 8.4213 9.6327 9.6327 9.6548 9.6548 12.8697 12.8697 k = 0.0244-0.0208-0.0137 ( 3313 PWs) bands (ev): -13.5263 -13.5263 -12.4687 -12.4687 -11.4072 -11.4072 -11.4063 -11.4063 -11.1217 -11.1217 -11.1177 -11.1177 -0.2549 -0.2549 -0.0090 -0.0090 0.0701 0.0701 0.5304 0.5304 0.5407 0.5407 0.7157 0.7157 0.7288 0.7288 2.7325 2.7325 2.7439 2.7439 3.3428 3.3428 3.4782 3.4782 4.4478 4.4478 4.4710 4.4710 4.5379 4.5379 4.5451 4.5451 5.2003 5.2003 5.9339 5.9339 5.9490 5.9490 6.7494 6.7494 6.8294 6.8294 6.8500 6.8500 7.2773 7.2773 7.3565 7.3565 7.4961 7.4961 8.4031 8.4031 8.4213 8.4213 9.6304 9.6304 9.6525 9.6525 12.8733 12.8733 k = 0.0366-0.0312-0.0206 ( 3314 PWs) bands (ev): -13.5233 -13.5233 -12.4688 -12.4688 -11.4083 -11.4083 -11.4064 -11.4064 -11.1237 -11.1237 -11.1196 -11.1196 -0.2579 -0.2579 -0.0027 -0.0027 0.0676 0.0676 0.5328 0.5328 0.5496 0.5496 0.7095 0.7095 0.7382 0.7382 2.7239 2.7239 2.7462 2.7462 3.3543 3.3543 3.4797 3.4797 4.4316 4.4316 4.4565 4.4565 4.5453 4.5453 4.5546 4.5546 5.2001 5.2001 5.9201 5.9201 5.9426 5.9426 6.7543 6.7543 6.8316 6.8316 6.8525 6.8525 7.2767 7.2767 7.3560 7.3560 7.4960 7.4960 8.4029 8.4029 8.4213 8.4213 9.6264 9.6264 9.6485 9.6485 12.8798 12.8798 k = 0.0488-0.0416-0.0274 ( 3319 PWs) bands (ev): -13.5191 -13.5191 -12.4689 -12.4689 -11.4099 -11.4099 -11.4064 -11.4064 -11.1267 -11.1267 -11.1223 -11.1223 -0.2618 -0.2618 0.0059 0.0059 0.0642 0.0642 0.5357 0.5357 0.5626 0.5626 0.7010 0.7010 0.7511 0.7511 2.7117 2.7117 2.7498 2.7498 3.3702 3.3702 3.4816 3.4816 4.4118 4.4118 4.4385 4.4385 4.5550 4.5550 4.5634 4.5634 5.1999 5.1999 5.9001 5.9001 5.9350 5.9350 6.7610 6.7610 6.8347 6.8347 6.8560 6.8560 7.2760 7.2760 7.3554 7.3554 7.4958 7.4958 8.4026 8.4026 8.4214 8.4214 9.6210 9.6210 9.6429 9.6429 12.8892 12.8892 k = 0.0610-0.0520-0.0343 ( 3311 PWs) bands (ev): -13.5136 -13.5136 -12.4690 -12.4690 -11.4119 -11.4119 -11.4065 -11.4065 -11.1305 -11.1305 -11.1255 -11.1255 -0.2663 -0.2663 0.0168 0.0168 0.0600 0.0600 0.5395 0.5395 0.5790 0.5790 0.6906 0.6906 0.7671 0.7671 2.6964 2.6964 2.7546 2.7546 3.3903 3.3903 3.4839 3.4839 4.3895 4.3895 4.4166 4.4166 4.5664 4.5664 4.5710 4.5710 5.1997 5.1997 5.8745 5.8745 5.9259 5.9259 6.7691 6.7691 6.8386 6.8386 6.8604 6.8604 7.2750 7.2750 7.3546 7.3546 7.4955 7.4955 8.4021 8.4021 8.4220 8.4220 9.6141 9.6141 9.6360 9.6360 12.9017 12.9017 k = 0.0732-0.0624-0.0412 ( 3313 PWs) bands (ev): -13.5071 -13.5071 -12.4692 -12.4692 -11.4144 -11.4144 -11.4065 -11.4065 -11.1353 -11.1353 -11.1294 -11.1294 -0.2712 -0.2712 0.0299 0.0299 0.0549 0.0549 0.5445 0.5445 0.5980 0.5980 0.6791 0.6791 0.7859 0.7859 2.6784 2.6784 2.7604 2.7604 3.4143 3.4143 3.4863 3.4863 4.3653 4.3653 4.3907 4.3907 4.5753 4.5753 4.5812 4.5812 5.1994 5.1994 5.8443 5.8443 5.9153 5.9153 6.7785 6.7785 6.8432 6.8432 6.8657 6.8657 7.2738 7.2738 7.3536 7.3536 7.4950 7.4950 8.4015 8.4015 8.4229 8.4229 9.6058 9.6058 9.6276 9.6276 12.9171 12.9171 k = 0.0854-0.0728-0.0480 ( 3313 PWs) bands (ev): -13.4993 -13.4993 -12.4694 -12.4694 -11.4173 -11.4173 -11.4066 -11.4066 -11.1409 -11.1409 -11.1338 -11.1338 -0.2762 -0.2762 0.0450 0.0450 0.0492 0.0492 0.5507 0.5507 0.6173 0.6173 0.6686 0.6686 0.8073 0.8073 2.6581 2.6581 2.7671 2.7671 3.4419 3.4419 3.4887 3.4887 4.3391 4.3391 4.3610 4.3610 4.5790 4.5790 4.5962 4.5962 5.1992 5.1992 5.8098 5.8098 5.9031 5.9031 6.7889 6.7889 6.8484 6.8484 6.8719 6.8719 7.2723 7.2723 7.3526 7.3526 7.4941 7.4941 8.4006 8.4006 8.4245 8.4245 9.5961 9.5961 9.6179 9.6179 12.9353 12.9353 k = 0.0976-0.0832-0.0549 ( 3314 PWs) bands (ev): -13.4904 -13.4904 -12.4698 -12.4698 -11.4206 -11.4206 -11.4067 -11.4067 -11.1475 -11.1475 -11.1388 -11.1388 -0.2810 -0.2810 0.0428 0.0428 0.0623 0.0623 0.5584 0.5584 0.6274 0.6274 0.6686 0.6686 0.8308 0.8308 2.6358 2.6358 2.7746 2.7746 3.4726 3.4726 3.4912 3.4912 4.3103 4.3103 4.3286 4.3286 4.5802 4.5802 4.6127 4.6127 5.1989 5.1989 5.7719 5.7719 5.8896 5.8896 6.8002 6.8002 6.8542 6.8542 6.8789 6.8789 7.2704 7.2704 7.3514 7.3514 7.4930 7.4930 8.3996 8.3996 8.4268 8.4268 9.5853 9.5853 9.6071 9.6071 12.9560 12.9560 k = 0.1098-0.0936-0.0617 ( 3310 PWs) bands (ev): -13.4803 -13.4803 -12.4702 -12.4702 -11.4244 -11.4244 -11.4067 -11.4067 -11.1549 -11.1549 -11.1443 -11.1443 -0.2853 -0.2853 0.0359 0.0359 0.0813 0.0813 0.5675 0.5675 0.6192 0.6192 0.6884 0.6884 0.8563 0.8563 2.6120 2.6120 2.7828 2.7828 3.4925 3.4925 3.5073 3.5073 4.2762 4.2762 4.2963 4.2963 4.5791 4.5791 4.6302 4.6302 5.1988 5.1988 5.7308 5.7308 5.8746 5.8746 6.8122 6.8122 6.8605 6.8605 6.8867 6.8867 7.2683 7.2683 7.3504 7.3504 7.4914 7.4914 8.3986 8.3986 8.4298 8.4298 9.5733 9.5733 9.5951 9.5951 12.9791 12.9791 k = 0.1220-0.1040-0.0686 ( 3311 PWs) bands (ev): -13.4691 -13.4691 -12.4707 -12.4707 -11.4286 -11.4286 -11.4068 -11.4068 -11.1631 -11.1631 -11.1503 -11.1503 -0.2891 -0.2891 0.0285 0.0285 0.1023 0.1023 0.5780 0.5780 0.6037 0.6037 0.7169 0.7169 0.8836 0.8836 2.5870 2.5870 2.7917 2.7917 3.4945 3.4945 3.5433 3.5433 4.2353 4.2353 4.2659 4.2659 4.5758 4.5758 4.6483 4.6483 5.1987 5.1987 5.6872 5.6872 5.8585 5.8585 6.8247 6.8247 6.8671 6.8671 6.8952 6.8952 7.2659 7.2659 7.3494 7.3494 7.4892 7.4892 8.3977 8.3977 8.4336 8.4336 9.5602 9.5602 9.5821 9.5821 13.0042 13.0042 k = 0.1341-0.1144-0.0755 ( 3307 PWs) bands (ev): -13.4568 -13.4568 -12.4713 -12.4713 -11.4332 -11.4332 -11.4068 -11.4068 -11.1720 -11.1720 -11.1567 -11.1567 -0.2921 -0.2921 0.0208 0.0208 0.1249 0.1249 0.5863 0.5863 0.5900 0.5900 0.7489 0.7489 0.9123 0.9123 2.5611 2.5611 2.8012 2.8012 3.4959 3.4959 3.5817 3.5817 4.1888 4.1888 4.2366 4.2366 4.5703 4.5703 4.6666 4.6666 5.1987 5.1987 5.6415 5.6415 5.8414 5.8414 6.8378 6.8378 6.8739 6.8739 6.9046 6.9046 7.2632 7.2632 7.3485 7.3485 7.4866 7.4866 8.3970 8.3970 8.4383 8.4383 9.5463 9.5463 9.5682 9.5682 13.0312 13.0312 k = 0.1463-0.1248-0.0823 ( 3307 PWs) bands (ev): -13.4435 -13.4435 -12.4722 -12.4722 -11.4381 -11.4381 -11.4069 -11.4069 -11.1817 -11.1817 -11.1636 -11.1636 -0.2942 -0.2942 0.0127 0.0127 0.1493 0.1493 0.5684 0.5684 0.6032 0.6032 0.7831 0.7831 0.9424 0.9424 2.5347 2.5347 2.8112 2.8112 3.4969 3.4969 3.6219 3.6219 4.1378 4.1378 4.2073 4.2073 4.5626 4.5626 4.6847 4.6847 5.1987 5.1987 5.5941 5.5941 5.8233 5.8233 6.8513 6.8513 6.8809 6.8809 6.9147 6.9147 7.2602 7.2602 7.3478 7.3478 7.4832 7.4832 8.3967 8.3967 8.4438 8.4438 9.5314 9.5314 9.5534 9.5534 13.0597 13.0597 k = 0.1585-0.1352-0.0892 ( 3305 PWs) bands (ev): -13.4290 -13.4290 -12.4732 -12.4732 -11.4435 -11.4435 -11.4069 -11.4069 -11.1921 -11.1921 -11.1709 -11.1709 -0.2953 -0.2953 0.0044 0.0044 0.1751 0.1751 0.5507 0.5507 0.6177 0.6177 0.8191 0.8191 0.9736 0.9736 2.5080 2.5080 2.8216 2.8216 3.4973 3.4973 3.6633 3.6633 4.0829 4.0829 4.1780 4.1780 4.5527 4.5527 4.7023 4.7023 5.1988 5.1988 5.5456 5.5456 5.8045 5.8045 6.8650 6.8650 6.8882 6.8882 6.9255 6.9255 7.2571 7.2571 7.3473 7.3473 7.4791 7.4791 8.3970 8.3970 8.4501 8.4501 9.5159 9.5159 9.5379 9.5379 13.0895 13.0895 k = 0.1707-0.1456-0.0960 ( 3310 PWs) bands (ev): -13.4135 -13.4135 -12.4744 -12.4744 -11.4492 -11.4492 -11.4069 -11.4069 -11.2030 -11.2030 -11.1786 -11.1786 -0.2953 -0.2953 -0.0041 -0.0041 0.2021 0.2021 0.5336 0.5336 0.6334 0.6334 0.8564 0.8564 1.0057 1.0057 2.4813 2.4813 2.8324 2.8324 3.4973 3.4973 3.7055 3.7055 4.0244 4.0244 4.1485 4.1485 4.5410 4.5410 4.7190 4.7190 5.1987 5.1987 5.4962 5.4962 5.7852 5.7852 6.8786 6.8786 6.8958 6.8958 6.9369 6.9369 7.2538 7.2538 7.3470 7.3470 7.4742 7.4742 8.3980 8.3980 8.4574 8.4574 9.4997 9.4997 9.5217 9.5217 13.1204 13.1204 k = 0.1829-0.1560-0.1029 ( 3306 PWs) bands (ev): -13.3970 -13.3970 -12.4759 -12.4759 -11.4553 -11.4553 -11.4068 -11.4068 -11.2146 -11.2146 -11.1865 -11.1865 -0.2943 -0.2943 -0.0127 -0.0127 0.2300 0.2300 0.5181 0.5181 0.6501 0.6501 0.8949 0.8949 1.0386 1.0386 2.4549 2.4549 2.8433 2.8433 3.4967 3.4967 3.7482 3.7482 3.9627 3.9627 4.1189 4.1189 4.5275 4.5275 4.7345 4.7345 5.1984 5.1984 5.4465 5.4465 5.7654 5.7654 6.8912 6.8912 6.9047 6.9047 6.9491 6.9491 7.2507 7.2507 7.3469 7.3469 7.4687 7.4687 8.3998 8.3998 8.4656 8.4656 9.4829 9.4829 9.5049 9.5049 13.1522 13.1522 k = 0.1951-0.1664-0.1098 ( 3303 PWs) bands (ev): -13.3796 -13.3796 -12.4776 -12.4776 -11.4617 -11.4617 -11.4067 -11.4067 -11.2267 -11.2267 -11.1947 -11.1947 -0.2922 -0.2922 -0.0215 -0.0215 0.2583 0.2583 0.5047 0.5047 0.6676 0.6676 0.9344 0.9344 1.0720 1.0720 2.4290 2.4290 2.8544 2.8544 3.4954 3.4954 3.7907 3.7907 3.8982 3.8982 4.0892 4.0892 4.5126 4.5126 4.7484 4.7484 5.1973 5.1973 5.3972 5.3972 5.7453 5.7453 6.9014 6.9014 6.9164 6.9164 6.9618 6.9618 7.2477 7.2477 7.3470 7.3470 7.4625 7.4625 8.4025 8.4025 8.4747 8.4747 9.4657 9.4657 9.4875 9.4875 13.1845 13.1845 k = 0.2073-0.1768-0.1166 ( 3298 PWs) bands (ev): -13.3612 -13.3612 -12.4798 -12.4798 -11.4683 -11.4683 -11.4065 -11.4065 -11.2394 -11.2394 -11.2031 -11.2031 -0.2891 -0.2891 -0.0304 -0.0304 0.2859 0.2859 0.4949 0.4949 0.6858 0.6858 0.9745 0.9745 1.1058 1.1058 2.4038 2.4038 2.8654 2.8654 3.4935 3.4935 3.8287 3.8287 3.8353 3.8353 4.0594 4.0594 4.4964 4.4964 4.7605 4.7605 5.1946 5.1946 5.3495 5.3495 5.7251 5.7251 6.9091 6.9091 6.9305 6.9305 6.9749 6.9749 7.2449 7.2449 7.3471 7.3471 7.4558 7.4558 8.4064 8.4064 8.4847 8.4847 9.4480 9.4480 9.4696 9.4696 13.2173 13.2173 k = 0.2195-0.1872-0.1235 ( 3296 PWs) bands (ev): -13.3418 -13.3418 -12.4823 -12.4823 -11.4752 -11.4752 -11.4063 -11.4063 -11.2524 -11.2524 -11.2116 -11.2116 -0.2851 -0.2851 -0.0393 -0.0393 0.3113 0.3113 0.4905 0.4905 0.7046 0.7046 1.0152 1.0152 1.1397 1.1397 2.3796 2.3796 2.8762 2.8762 3.4905 3.4905 3.7621 3.7621 3.8743 3.8743 4.0296 4.0296 4.4794 4.4794 4.7705 4.7705 5.1880 5.1880 5.3059 5.3059 5.7049 5.7049 6.9157 6.9157 6.9459 6.9459 6.9885 6.9885 7.2426 7.2426 7.3471 7.3471 7.4488 7.4488 8.4114 8.4114 8.4957 8.4957 9.4299 9.4299 9.4513 9.4513 13.2502 13.2502 k = 0.2317-0.1976-0.1303 ( 3302 PWs) bands (ev): -13.3216 -13.3216 -12.4852 -12.4852 -11.4823 -11.4823 -11.4061 -11.4061 -11.2658 -11.2658 -11.2203 -11.2203 -0.2802 -0.2802 -0.0482 -0.0482 0.3322 0.3322 0.4938 0.4938 0.7236 0.7236 1.0562 1.0562 1.1737 1.1737 2.3563 2.3563 2.8868 2.8868 3.4861 3.4861 3.6924 3.6924 3.9141 3.9141 3.9998 3.9998 4.4619 4.4619 4.7782 4.7782 5.1726 5.1726 5.2716 5.2716 5.6849 5.6849 6.9217 6.9217 6.9619 6.9619 7.0023 7.0023 7.2409 7.2409 7.3466 7.3466 7.4417 7.4417 8.4176 8.4176 8.5075 8.5075 9.4114 9.4114 9.4325 9.4325 13.2832 13.2832 k = 0.2439-0.2080-0.1372 ( 3304 PWs) bands (ev): -13.3006 -13.3006 -12.4887 -12.4887 -11.4896 -11.4896 -11.4057 -11.4057 -11.2796 -11.2796 -11.2289 -11.2289 -0.2746 -0.2746 -0.0570 -0.0570 0.3467 0.3467 0.5072 0.5072 0.7427 0.7427 1.0974 1.0974 1.2074 1.2074 2.3344 2.3344 2.8969 2.8969 3.4786 3.4786 3.6236 3.6236 3.9500 3.9500 3.9720 3.9720 4.4445 4.4445 4.7834 4.7834 5.1435 5.1435 5.2517 5.2517 5.6651 5.6651 6.9273 6.9273 6.9782 6.9782 7.0163 7.0163 7.2398 7.2398 7.3452 7.3452 7.4350 7.4350 8.4251 8.4251 8.5203 8.5203 9.3926 9.3926 9.4133 9.4133 13.3160 13.3160 k = 0.2561-0.2184-0.1441 ( 3301 PWs) bands (ev): -13.2788 -13.2788 -12.4927 -12.4927 -11.4970 -11.4970 -11.4053 -11.4053 -11.2937 -11.2937 -11.2376 -11.2376 -0.2685 -0.2685 -0.0659 -0.0659 0.3548 0.3548 0.5306 0.5306 0.7617 0.7617 1.1386 1.1386 1.2408 1.2408 2.3138 2.3138 2.9063 2.9063 3.4624 3.4624 3.5618 3.5618 3.9370 3.9370 3.9909 3.9909 4.4276 4.4276 4.7859 4.7859 5.1038 5.1038 5.2434 5.2434 5.6458 5.6458 6.9327 6.9327 6.9947 6.9947 7.0305 7.0305 7.2395 7.2395 7.3426 7.3426 7.4294 7.4294 8.4340 8.4340 8.5339 8.5339 9.3735 9.3735 9.3938 9.3938 13.3485 13.3485 k = 0.2683-0.2288-0.1509 ( 3298 PWs) bands (ev): -13.2562 -13.2562 -12.4973 -12.4973 -11.5043 -11.5043 -11.4048 -11.4048 -11.3080 -11.3080 -11.2462 -11.2462 -0.2620 -0.2620 -0.0746 -0.0746 0.3588 0.3588 0.5621 0.5621 0.7801 0.7801 1.1797 1.1797 1.2736 1.2736 2.2946 2.2946 2.9150 2.9150 3.4240 3.4240 3.5211 3.5211 3.9067 3.9067 4.0245 4.0245 4.4118 4.4118 4.7854 4.7854 5.0595 5.0595 5.2411 5.2411 5.6269 5.6269 6.9378 6.9378 7.0112 7.0112 7.0447 7.0447 7.2400 7.2400 7.3383 7.3383 7.4251 7.4251 8.4444 8.4444 8.5485 8.5485 9.3540 9.3540 9.3739 9.3739 13.3805 13.3805 k = 0.2805-0.2392-0.1578 ( 3292 PWs) bands (ev): -13.2329 -13.2329 -12.5026 -12.5026 -11.5117 -11.5117 -11.4042 -11.4042 -11.3224 -11.3224 -11.2547 -11.2547 -0.2553 -0.2553 -0.0833 -0.0833 0.3614 0.3614 0.5993 0.5993 0.7979 0.7979 1.2204 1.2204 1.3056 1.3056 2.2769 2.2769 2.9227 2.9227 3.3622 3.3622 3.5031 3.5031 3.8755 3.8755 4.0560 4.0560 4.3977 4.3977 4.7817 4.7817 5.0142 5.0142 5.2415 5.2415 5.6086 5.6086 6.9429 6.9429 7.0274 7.0274 7.0587 7.0587 7.2413 7.2413 7.3320 7.3320 7.4227 7.4227 8.4563 8.4563 8.5638 8.5638 9.3342 9.3342 9.3538 9.3538 13.4119 13.4119 k = 0.2927-0.2496-0.1647 ( 3291 PWs) bands (ev): -13.2090 -13.2090 -12.5087 -12.5087 -11.5189 -11.5189 -11.4035 -11.4035 -11.3370 -11.3370 -11.2630 -11.2630 -0.2487 -0.2487 -0.0919 -0.0919 0.3642 0.3642 0.6405 0.6405 0.8145 0.8145 1.2608 1.2608 1.3368 1.3368 2.2607 2.2607 2.9293 2.9293 3.2913 3.2913 3.4938 3.4938 3.8438 3.8438 4.0847 4.0847 4.3857 4.3857 4.7746 4.7746 4.9696 4.9696 5.2435 5.2435 5.5909 5.5909 6.9478 6.9478 7.0433 7.0433 7.0724 7.0724 7.2436 7.2436 7.3239 7.3239 7.4221 7.4221 8.4696 8.4696 8.5800 8.5800 9.3141 9.3141 9.3333 9.3333 13.4427 13.4427 k = 0.3049-0.2600-0.1715 ( 3287 PWs) bands (ev): -13.1845 -13.1845 -12.5155 -12.5155 -11.5258 -11.5258 -11.4026 -11.4026 -11.3516 -11.3516 -11.2712 -11.2712 -0.2423 -0.2423 -0.1003 -0.1003 0.3686 0.3686 0.6847 0.6847 0.8297 0.8297 1.3005 1.3005 1.3668 1.3668 2.2459 2.2459 2.9345 2.9345 3.2181 3.2181 3.4872 3.4872 3.8114 3.8114 4.1105 4.1105 4.3763 4.3763 4.7636 4.7636 4.9269 4.9269 5.2466 5.2466 5.5739 5.5739 6.9527 6.9527 7.0585 7.0585 7.0857 7.0857 7.2465 7.2465 7.3145 7.3145 7.4232 7.4232 8.4845 8.4845 8.5969 8.5969 9.2936 9.2936 9.3125 9.3125 13.4727 13.4727 k = 0.3171-0.2704-0.1784 ( 3291 PWs) bands (ev): -13.1595 -13.1595 -12.5233 -12.5233 -11.5325 -11.5325 -11.4017 -11.4017 -11.3662 -11.3662 -11.2792 -11.2792 -0.2363 -0.2363 -0.1085 -0.1085 0.3751 0.3751 0.7311 0.7311 0.8433 0.8433 1.3395 1.3395 1.3956 1.3956 2.2322 2.2322 2.9383 2.9383 3.1450 3.1450 3.4815 3.4815 3.7785 3.7785 4.1335 4.1335 4.3698 4.3698 4.7483 4.7483 4.8871 4.8871 5.2505 5.2505 5.5576 5.5576 6.9575 6.9575 7.0730 7.0730 7.0982 7.0982 7.2498 7.2498 7.3049 7.3049 7.4255 7.4255 8.5009 8.5009 8.6146 8.6146 9.2726 9.2726 9.2914 9.2914 13.5019 13.5019 k = 0.3293-0.2808-0.1852 ( 3289 PWs) bands (ev): -13.1340 -13.1340 -12.5320 -12.5320 -11.5387 -11.5387 -11.4007 -11.4007 -11.3807 -11.3807 -11.2870 -11.2870 -0.2309 -0.2309 -0.1166 -0.1166 0.3841 0.3841 0.7795 0.7795 0.8547 0.8547 1.3776 1.3776 1.4230 1.4230 2.2193 2.2193 2.9405 2.9405 3.0734 3.0734 3.4761 3.4761 3.7453 3.7453 4.1539 4.1539 4.3662 4.3662 4.7285 4.7285 4.8508 4.8508 5.2550 5.2550 5.5420 5.5420 6.9625 6.9625 7.0867 7.0867 7.1097 7.1097 7.2520 7.2520 7.2968 7.2968 7.4286 7.4286 8.5187 8.5187 8.6330 8.6330 9.2513 9.2513 9.2701 9.2701 13.5303 13.5303 k = 0.3415-0.2912-0.1921 ( 3286 PWs) bands (ev): -13.1080 -13.1080 -12.5417 -12.5417 -11.5445 -11.5445 -11.3998 -11.3998 -11.3947 -11.3947 -11.2945 -11.2945 -0.2260 -0.2260 -0.1244 -0.1244 0.3959 0.3959 0.8294 0.8294 0.8639 0.8639 1.4146 1.4146 1.4488 1.4488 2.2067 2.2067 2.9408 2.9408 3.0045 3.0045 3.4708 3.4708 3.7118 3.7118 4.1721 4.1721 4.3653 4.3653 4.7042 4.7042 4.8184 4.8184 5.2602 5.2602 5.5271 5.5271 6.9677 6.9677 7.0994 7.0994 7.1199 7.1199 7.2509 7.2509 7.2932 7.2932 7.4323 7.4323 8.5380 8.5380 8.6520 8.6520 9.2294 9.2294 9.2485 9.2485 13.5578 13.5578 k = 0.3537-0.3016-0.1990 ( 3291 PWs) bands (ev): -13.0818 -13.0818 -12.5525 -12.5525 -11.5497 -11.5497 -11.4095 -11.4095 -11.3978 -11.3978 -11.3017 -11.3017 -0.2218 -0.2218 -0.1320 -0.1320 0.4106 0.4106 0.8703 0.8703 0.8809 0.8809 1.4505 1.4505 1.4729 1.4729 2.1936 2.1936 2.9363 2.9363 2.9422 2.9422 3.4654 3.4654 3.6783 3.6783 4.1887 4.1887 4.3668 4.3668 4.6763 4.6763 4.7894 4.7894 5.2660 5.2660 5.5128 5.5128 6.9730 6.9730 7.1112 7.1112 7.1285 7.1285 7.2447 7.2447 7.2960 7.2960 7.4361 7.4361 8.5587 8.5587 8.6716 8.6716 9.2071 9.2071 9.2266 9.2266 13.5845 13.5845 k = 0.3659-0.3120-0.2058 ( 3289 PWs) bands (ev): -13.0552 -13.0552 -12.5643 -12.5643 -11.5541 -11.5541 -11.4234 -11.4234 -11.3964 -11.3964 -11.3087 -11.3087 -0.2182 -0.2182 -0.1393 -0.1393 0.4279 0.4279 0.8740 0.8740 0.9334 0.9334 1.4850 1.4850 1.4951 1.4951 2.1790 2.1790 2.8792 2.8792 2.9359 2.9359 3.4598 3.4598 3.6453 3.6453 4.2045 4.2045 4.3701 4.3701 4.6464 4.6464 4.7626 4.7626 5.2724 5.2724 5.4992 5.4992 6.9786 6.9786 7.1220 7.1220 7.1352 7.1352 7.2354 7.2354 7.3036 7.3036 7.4399 7.4399 8.5807 8.5807 8.6918 8.6918 9.1842 9.1842 9.2046 9.2046 13.6105 13.6105 k = 0.3780-0.3224-0.2127 ( 3288 PWs) bands (ev): -13.0285 -13.0285 -12.5773 -12.5773 -11.5578 -11.5578 -11.4370 -11.4370 -11.3947 -11.3947 -11.3155 -11.3155 -0.2152 -0.2152 -0.1463 -0.1463 0.4479 0.4479 0.8746 0.8746 0.9871 0.9871 1.5144 1.5144 1.5190 1.5190 2.1617 2.1617 2.8261 2.8261 2.9300 2.9300 3.4541 3.4541 3.6131 3.6131 4.2201 4.2201 4.3746 4.3746 4.6159 4.6159 4.7369 4.7369 5.2793 5.2793 5.4861 5.4861 6.9845 6.9845 7.1316 7.1316 7.1397 7.1397 7.2253 7.2253 7.3140 7.3140 7.4434 7.4434 8.6040 8.6040 8.7125 8.7125 9.1607 9.1607 9.1823 9.1823 13.6357 13.6357 k = 0.3902-0.3328-0.2195 ( 3285 PWs) bands (ev): -13.0016 -13.0016 -12.5914 -12.5914 -11.5607 -11.5607 -11.4502 -11.4502 -11.3929 -11.3929 -11.3219 -11.3219 -0.2127 -0.2127 -0.1529 -0.1529 0.4701 0.4701 0.8720 0.8720 1.0415 1.0415 1.5324 1.5324 1.5503 1.5503 2.1404 2.1404 2.7812 2.7812 2.9218 2.9218 3.4484 3.4484 3.5822 3.5822 4.2361 4.2361 4.3799 4.3799 4.5860 4.5860 4.7114 4.7114 5.2868 5.2868 5.4735 5.4735 6.9906 6.9906 7.1385 7.1385 7.1433 7.1433 7.2160 7.2160 7.3260 7.3260 7.4464 7.4464 8.6285 8.6285 8.7337 8.7337 9.1367 9.1367 9.1599 9.1599 13.6603 13.6603 k = 0.4024-0.3432-0.2264 ( 3283 PWs) bands (ev): -12.9747 -12.9747 -12.6067 -12.6067 -11.5627 -11.5627 -11.4630 -11.4630 -11.3909 -11.3909 -11.3280 -11.3280 -0.2106 -0.2106 -0.1592 -0.1592 0.4944 0.4944 0.8663 0.8663 1.0966 1.0966 1.5473 1.5473 1.5806 1.5806 2.1142 2.1142 2.7458 2.7458 2.9113 2.9113 3.4428 3.4428 3.5531 3.5531 4.2528 4.2528 4.3858 4.3858 4.5575 4.5575 4.6858 4.6858 5.2947 5.2947 5.4613 5.4613 6.9972 6.9972 7.1383 7.1383 7.1500 7.1500 7.2084 7.2084 7.3388 7.3388 7.4488 7.4488 8.6540 8.6540 8.7551 8.7551 9.1121 9.1121 9.1373 9.1373 13.6843 13.6843 k = 0.4146-0.3536-0.2333 ( 3283 PWs) bands (ev): -12.9478 -12.9478 -12.6232 -12.6232 -11.5637 -11.5637 -11.4753 -11.4753 -11.3887 -11.3887 -11.3339 -11.3339 -0.2088 -0.2088 -0.1651 -0.1651 0.5205 0.5205 0.8574 0.8574 1.1520 1.1520 1.5591 1.5591 1.6093 1.6093 2.0825 2.0825 2.7204 2.7204 2.8984 2.8984 3.4373 3.4373 3.5262 3.5262 4.2704 4.2704 4.3922 4.3922 4.5308 4.5308 4.6599 4.6599 5.3032 5.3032 5.4494 5.4494 7.0041 7.0041 7.1337 7.1337 7.1571 7.1571 7.2030 7.2030 7.3520 7.3520 7.4503 7.4503 8.6804 8.6804 8.7768 8.7768 9.0870 9.0870 9.1146 9.1146 13.7079 13.7079 k = 0.4268-0.3640-0.2401 ( 3283 PWs) bands (ev): -12.9211 -12.9211 -12.6407 -12.6407 -11.5637 -11.5637 -11.4870 -11.4870 -11.3863 -11.3863 -11.3395 -11.3395 -0.2071 -0.2071 -0.1707 -0.1707 0.5478 0.5478 0.8454 0.8454 1.2075 1.2075 1.5674 1.5674 1.6367 1.6367 2.0455 2.0455 2.7050 2.7050 2.8831 2.8831 3.4321 3.4321 3.5021 3.5021 4.2889 4.2889 4.3992 4.3992 4.5062 4.5062 4.6336 4.6336 5.3120 5.3120 5.4378 5.4378 7.0114 7.0114 7.1264 7.1264 7.1636 7.1636 7.1994 7.1994 7.3651 7.3651 7.4509 7.4509 8.7075 8.7075 8.7987 8.7987 9.0615 9.0615 9.0917 9.0917 13.7313 13.7313 k = 0.4390-0.3744-0.2470 ( 3285 PWs) bands (ev): -12.8945 -12.8945 -12.6595 -12.6595 -11.5626 -11.5626 -11.4981 -11.4981 -11.3837 -11.3837 -11.3448 -11.3448 -0.2055 -0.2055 -0.1758 -0.1758 0.5762 0.5762 0.8304 0.8304 1.2624 1.2624 1.5714 1.5714 1.6629 1.6629 2.0045 2.0045 2.6989 2.6989 2.8656 2.8656 3.4275 3.4275 3.4809 3.4809 4.3080 4.3080 4.4071 4.4071 4.4838 4.4838 4.6071 4.6071 5.3213 5.3213 5.4264 5.4264 7.0191 7.0191 7.1171 7.1171 7.1693 7.1693 7.1972 7.1972 7.3778 7.3778 7.4503 7.4503 8.7352 8.7352 8.8204 8.8204 9.0358 9.0358 9.0689 9.0689 13.7545 13.7545 k = 0.4512-0.3848-0.2538 ( 3281 PWs) bands (ev): -12.8682 -12.8682 -12.6792 -12.6792 -11.5606 -11.5606 -11.5085 -11.5085 -11.3808 -11.3808 -11.3498 -11.3498 -0.2038 -0.2038 -0.1805 -0.1805 0.6051 0.6051 0.8126 0.8126 1.3163 1.3163 1.5705 1.5705 1.6884 1.6884 1.9609 1.9609 2.7009 2.7009 2.8463 2.8463 3.4238 3.4238 3.4630 3.4630 4.3273 4.3273 4.4164 4.4164 4.4636 4.4636 4.5805 4.5805 5.3309 5.3309 5.4153 5.4153 7.0273 7.0273 7.1069 7.1069 7.1744 7.1744 7.1956 7.1956 7.3900 7.3900 7.4486 7.4486 8.7632 8.7632 8.8416 8.8416 9.0103 9.0103 9.0461 9.0461 13.7777 13.7777 k = 0.4634-0.3952-0.2607 ( 3281 PWs) bands (ev): -12.8424 -12.8424 -12.7000 -12.7000 -11.5575 -11.5575 -11.5181 -11.5181 -11.3778 -11.3778 -11.3546 -11.3546 -0.2020 -0.2020 -0.1847 -0.1847 0.6343 0.6343 0.7923 0.7923 1.3681 1.3681 1.5636 1.5636 1.7137 1.7137 1.9168 1.9168 2.7093 2.7093 2.8254 2.8254 3.4212 3.4212 3.4484 3.4484 4.3462 4.3462 4.4273 4.4273 4.4458 4.4458 4.5541 4.5541 5.3408 5.3408 5.4042 5.4042 7.0359 7.0359 7.0963 7.0963 7.1789 7.1789 7.1942 7.1942 7.4014 7.4014 7.4457 7.4457 8.7912 8.7912 8.8613 8.8613 8.9860 8.9860 9.0236 9.0236 13.8010 13.8010 k = 0.4756-0.4056-0.2676 ( 3281 PWs) bands (ev): -12.8169 -12.8169 -12.7218 -12.7218 -11.5533 -11.5533 -11.5270 -11.5270 -11.3745 -11.3745 -11.3591 -11.3591 -0.2000 -0.2000 -0.1886 -0.1886 0.6632 0.6632 0.7698 0.7698 1.4167 1.4167 1.5497 1.5497 1.7398 1.7398 1.8741 1.8741 2.7229 2.7229 2.8036 2.8036 3.4200 3.4200 3.4371 3.4371 4.3642 4.3642 4.4268 4.4268 4.4437 4.4437 4.5283 4.5283 5.3510 5.3510 5.3933 5.3933 7.0450 7.0450 7.0855 7.0855 7.1827 7.1827 7.1927 7.1927 7.4117 7.4117 7.4415 7.4415 8.8187 8.8187 8.8766 8.8766 8.9658 8.9658 9.0017 9.0017 13.8246 13.8246 k = 0.4878-0.4160-0.2744 ( 3275 PWs) bands (ev): -12.7921 -12.7921 -12.7444 -12.7444 -11.5482 -11.5482 -11.5350 -11.5350 -11.3710 -11.3710 -11.3633 -11.3633 -0.1977 -0.1977 -0.1920 -0.1920 0.6917 0.6917 0.7453 0.7453 1.4606 1.4606 1.5280 1.5280 1.7678 1.7678 1.8345 1.8345 2.7403 2.7403 2.7816 2.7816 3.4207 3.4207 3.4289 3.4289 4.3809 4.3809 4.4118 4.4118 4.4604 4.4604 4.5037 4.5037 5.3613 5.3613 5.3825 5.3825 7.0546 7.0546 7.0749 7.0749 7.1859 7.1859 7.1909 7.1909 7.4210 7.4210 7.4360 7.4360 8.8449 8.8449 8.8803 8.8803 8.9568 8.9568 8.9812 8.9812 13.8487 13.8487 k = 0.5000-0.4264-0.2813 ( 3276 PWs) bands (ev): -12.7679 -12.7679 -12.7679 -12.7679 -11.5421 -11.5421 -11.5420 -11.5420 -11.3673 -11.3673 -11.3673 -11.3673 -0.1950 -0.1950 -0.1950 -0.1950 0.7191 0.7191 0.7191 0.7191 1.4981 1.4981 1.4981 1.4981 1.7991 1.7991 1.7992 1.7992 2.7602 2.7602 2.7602 2.7602 3.4235 3.4235 3.4235 3.4235 4.3965 4.3965 4.3966 4.3966 4.4807 4.4807 4.4808 4.4808 5.3718 5.3718 5.3719 5.3719 7.0643 7.0643 7.0648 7.0648 7.1883 7.1883 7.1889 7.1889 7.4289 7.4289 7.4294 7.4294 8.8673 8.8673 8.8677 8.8677 8.9639 8.9639 8.9644 8.9644 13.8732 13.8732 k = 0.5000-0.4264-0.2813 ( 3276 PWs) bands (ev): -12.7679 -12.7679 -12.7679 -12.7679 -11.5421 -11.5421 -11.5420 -11.5420 -11.3673 -11.3673 -11.3673 -11.3673 -0.1950 -0.1950 -0.1950 -0.1950 0.7191 0.7191 0.7191 0.7191 1.4981 1.4981 1.4981 1.4981 1.7991 1.7991 1.7992 1.7992 2.7602 2.7602 2.7602 2.7602 3.4235 3.4235 3.4235 3.4235 4.3965 4.3965 4.3966 4.3966 4.4807 4.4807 4.4808 4.4808 5.3718 5.3718 5.3719 5.3719 7.0643 7.0643 7.0648 7.0648 7.1883 7.1883 7.1889 7.1889 7.4289 7.4289 7.4294 7.4294 8.8673 8.8673 8.8677 8.8677 8.9639 8.9639 8.9644 8.9644 13.8732 13.8732 k = 0.5000-0.4168-0.2957 ( 3276 PWs) bands (ev): -12.7676 -12.7676 -12.7676 -12.7676 -11.5424 -11.5424 -11.5423 -11.5423 -11.3674 -11.3674 -11.3674 -11.3674 -0.1939 -0.1939 -0.1938 -0.1938 0.7186 0.7186 0.7186 0.7186 1.4973 1.4973 1.4973 1.4973 1.7994 1.7994 1.7998 1.7998 2.7609 2.7609 2.7616 2.7616 3.4210 3.4210 3.4215 3.4215 4.3905 4.3905 4.3937 4.3937 4.4851 4.4851 4.4882 4.4882 5.3721 5.3721 5.3721 5.3721 7.0631 7.0631 7.0650 7.0650 7.1856 7.1856 7.1898 7.1898 7.4267 7.4267 7.4330 7.4330 8.8598 8.8598 8.8640 8.8640 8.9676 8.9676 8.9714 8.9714 13.8740 13.8740 k = 0.5000-0.4073-0.3102 ( 3278 PWs) bands (ev): -12.7668 -12.7668 -12.7668 -12.7668 -11.5433 -11.5433 -11.5432 -11.5432 -11.3676 -11.3676 -11.3676 -11.3676 -0.1905 -0.1905 -0.1903 -0.1903 0.7170 0.7170 0.7171 0.7171 1.4949 1.4949 1.4950 1.4950 1.8005 1.8005 1.8014 1.8014 2.7636 2.7636 2.7651 2.7651 3.4142 3.4142 3.4152 3.4152 4.3785 4.3785 4.3835 4.3835 4.4993 4.4993 4.5041 4.5041 5.3728 5.3728 5.3729 5.3729 7.0606 7.0606 7.0645 7.0645 7.1811 7.1811 7.1889 7.1889 7.4258 7.4258 7.4381 7.4381 8.8443 8.8443 8.8509 8.8509 8.9799 8.9799 8.9857 8.9857 13.8763 13.8763 k = 0.5000-0.3978-0.3246 ( 3284 PWs) bands (ev): -12.7655 -12.7655 -12.7654 -12.7654 -11.5448 -11.5448 -11.5446 -11.5446 -11.3680 -11.3680 -11.3680 -11.3680 -0.1848 -0.1848 -0.1845 -0.1845 0.7143 0.7143 0.7146 0.7146 1.4909 1.4909 1.4910 1.4910 1.8026 1.8026 1.8039 1.8039 2.7683 2.7683 2.7706 2.7706 3.4033 3.4033 3.4047 3.4047 4.3640 4.3640 4.3697 4.3697 4.5195 4.5195 4.5250 4.5250 5.3740 5.3740 5.3742 5.3742 7.0570 7.0570 7.0630 7.0630 7.1751 7.1751 7.1862 7.1862 7.4264 7.4264 7.4442 7.4442 8.8248 8.8248 8.8327 8.8327 8.9967 8.9967 9.0034 9.0034 13.8801 13.8801 k = 0.5000-0.3882-0.3391 ( 3288 PWs) bands (ev): -12.7636 -12.7636 -12.7635 -12.7635 -11.5469 -11.5469 -11.5467 -11.5467 -11.3685 -11.3685 -11.3685 -11.3685 -0.1769 -0.1769 -0.1765 -0.1765 0.7107 0.7107 0.7110 0.7110 1.4854 1.4854 1.4855 1.4855 1.8058 1.8058 1.8075 1.8075 2.7749 2.7749 2.7779 2.7779 3.3887 3.3887 3.3905 3.3905 4.3485 4.3485 4.3545 4.3545 4.5433 4.5433 4.5490 4.5490 5.3757 5.3757 5.3759 5.3759 7.0523 7.0523 7.0605 7.0605 7.1682 7.1682 7.1817 7.1817 7.4285 7.4285 7.4512 7.4512 8.8034 8.8034 8.8120 8.8120 9.0155 9.0155 9.0225 9.0225 13.8853 13.8853 k = 0.5000-0.3787-0.3535 ( 3294 PWs) bands (ev): -12.7612 -12.7612 -12.7611 -12.7611 -11.5497 -11.5497 -11.5494 -11.5494 -11.3691 -11.3691 -11.3691 -11.3691 -0.1668 -0.1668 -0.1663 -0.1663 0.7061 0.7061 0.7065 0.7065 1.4784 1.4784 1.4785 1.4785 1.8100 1.8100 1.8121 1.8121 2.7832 2.7832 2.7869 2.7869 3.3709 3.3709 3.3730 3.3730 4.3325 4.3325 4.3384 4.3384 4.5694 4.5694 4.5751 4.5751 5.3778 5.3778 5.3781 5.3781 7.0463 7.0463 7.0570 7.0570 7.1607 7.1607 7.1758 7.1758 7.4317 7.4317 7.4588 7.4588 8.7812 8.7812 8.7901 8.7901 9.0349 9.0349 9.0418 9.0418 13.8919 13.8920 k = 0.5000-0.3692-0.3680 ( 3292 PWs) bands (ev): -12.7583 -12.7583 -12.7582 -12.7582 -11.5531 -11.5531 -11.5527 -11.5527 -11.3697 -11.3697 -11.3697 -11.3697 -0.1546 -0.1546 -0.1541 -0.1541 0.7006 0.7006 0.7010 0.7010 1.4700 1.4700 1.4701 1.4701 1.8153 1.8153 1.8178 1.8178 2.7931 2.7931 2.7974 2.7974 3.3504 3.3504 3.3529 3.3529 4.3161 4.3161 4.3218 4.3218 4.5971 4.5971 4.6027 4.6027 5.3803 5.3803 5.3806 5.3806 7.0390 7.0390 7.0525 7.0525 7.1528 7.1528 7.1688 7.1688 7.4360 7.4360 7.4669 7.4669 8.7587 8.7587 8.7677 8.7677 9.0544 9.0544 9.0611 9.0611 13.8997 13.8998 k = 0.5000-0.3596-0.3824 ( 3286 PWs) bands (ev): -12.7549 -12.7549 -12.7549 -12.7549 -11.5571 -11.5571 -11.5567 -11.5567 -11.3703 -11.3703 -11.3703 -11.3703 -0.1404 -0.1404 -0.1398 -0.1398 0.6941 0.6941 0.6946 0.6946 1.4602 1.4602 1.4604 1.4604 1.8219 1.8219 1.8247 1.8247 2.8042 2.8042 2.8092 2.8092 3.3279 3.3279 3.3306 3.3306 4.2993 4.2993 4.3048 4.3048 4.6258 4.6258 4.6312 4.6312 5.3832 5.3832 5.3836 5.3836 7.0305 7.0305 7.0469 7.0469 7.1450 7.1450 7.1611 7.1611 7.4411 7.4411 7.4752 7.4752 8.7363 8.7363 8.7452 8.7452 9.0736 9.0736 9.0799 9.0799 13.9088 13.9089 k = 0.5000-0.3501-0.3969 ( 3292 PWs) bands (ev): -12.7511 -12.7511 -12.7511 -12.7511 -11.5618 -11.5618 -11.5614 -11.5614 -11.3708 -11.3708 -11.3708 -11.3708 -0.1244 -0.1244 -0.1238 -0.1238 0.6868 0.6868 0.6874 0.6874 1.4492 1.4492 1.4494 1.4494 1.8297 1.8297 1.8329 1.8329 2.8162 2.8162 2.8218 2.8218 3.3040 3.3040 3.3069 3.3069 4.2822 4.2822 4.2873 4.2873 4.6550 4.6550 4.6603 4.6603 5.3863 5.3863 5.3868 5.3868 7.0206 7.0206 7.0400 7.0400 7.1374 7.1374 7.1530 7.1530 7.4467 7.4467 7.4835 7.4835 8.7141 8.7141 8.7229 8.7229 9.0922 9.0922 9.0981 9.0981 13.9189 13.9190 k = 0.5000-0.3406-0.4113 ( 3292 PWs) bands (ev): -12.7469 -12.7469 -12.7468 -12.7468 -11.5672 -11.5672 -11.5667 -11.5667 -11.3712 -11.3712 -11.3711 -11.3711 -0.1067 -0.1067 -0.1060 -0.1060 0.6788 0.6788 0.6794 0.6794 1.4371 1.4371 1.4373 1.4373 1.8388 1.8388 1.8423 1.8423 2.8288 2.8288 2.8350 2.8350 3.2795 3.2795 3.2825 3.2825 4.2645 4.2645 4.2693 4.2693 4.6842 4.6842 4.6894 4.6894 5.3896 5.3896 5.3902 5.3902 7.0095 7.0095 7.0321 7.0321 7.1302 7.1302 7.1450 7.1450 7.4527 7.4527 7.4919 7.4919 8.6923 8.6923 8.7010 8.7010 9.1102 9.1102 9.1156 9.1156 13.9299 13.9299 k = 0.5000-0.3310-0.4258 ( 3298 PWs) bands (ev): -12.7424 -12.7424 -12.7423 -12.7423 -11.5732 -11.5732 -11.5727 -11.5727 -11.3714 -11.3714 -11.3713 -11.3713 -0.0876 -0.0876 -0.0868 -0.0868 0.6702 0.6702 0.6708 0.6708 1.4240 1.4240 1.4242 1.4242 1.8492 1.8492 1.8531 1.8531 2.8414 2.8414 2.8480 2.8480 3.2550 3.2550 3.2582 3.2582 4.2465 4.2465 4.2508 4.2508 4.7129 4.7129 4.7179 4.7179 5.3932 5.3932 5.3938 5.3938 6.9973 6.9973 7.0229 7.0229 7.1234 7.1234 7.1372 7.1372 7.4590 7.4590 7.5002 7.5002 8.6713 8.6713 8.6797 8.6797 9.1274 9.1274 9.1324 9.1324 13.9415 13.9416 k = 0.5000-0.3215-0.4402 ( 3296 PWs) bands (ev): -12.7375 -12.7375 -12.7374 -12.7374 -11.5798 -11.5798 -11.5793 -11.5793 -11.3714 -11.3714 -11.3712 -11.3712 -0.0671 -0.0671 -0.0663 -0.0663 0.6611 0.6611 0.6617 0.6617 1.4099 1.4099 1.4101 1.4101 1.8611 1.8611 1.8652 1.8652 2.8533 2.8533 2.8604 2.8604 3.2314 3.2314 3.2348 3.2348 4.2280 4.2280 4.2320 4.2320 4.7407 4.7407 4.7456 4.7456 5.3968 5.3968 5.3976 5.3976 6.9843 6.9843 7.0127 7.0127 7.1171 7.1171 7.1300 7.1300 7.4653 7.4653 7.5083 7.5083 8.6511 8.6511 8.6593 8.6593 9.1438 9.1438 9.1482 9.1482 13.9539 13.9540 k = 0.5000-0.3120-0.4547 ( 3296 PWs) bands (ev): -12.7323 -12.7323 -12.7322 -12.7322 -11.5870 -11.5870 -11.5865 -11.5865 -11.3712 -11.3712 -11.3710 -11.3710 -0.0457 -0.0457 -0.0448 -0.0448 0.6517 0.6517 0.6524 0.6524 1.3952 1.3952 1.3953 1.3953 1.8742 1.8742 1.8786 1.8786 2.8636 2.8636 2.8711 2.8711 3.2098 3.2098 3.2134 3.2134 4.2092 4.2092 4.2127 4.2127 4.7671 4.7671 4.7720 4.7720 5.4004 5.4004 5.4013 5.4013 6.9707 6.9707 7.0015 7.0015 7.1114 7.1114 7.1235 7.1235 7.4716 7.4716 7.5161 7.5161 8.6318 8.6318 8.6397 8.6397 9.1592 9.1592 9.1632 9.1632 13.9666 13.9667 k = 0.5000-0.3024-0.4691 ( 3290 PWs) bands (ev): -12.7269 -12.7269 -12.7268 -12.7268 -11.5947 -11.5947 -11.5942 -11.5942 -11.3707 -11.3707 -11.3704 -11.3704 -0.0236 -0.0236 -0.0227 -0.0227 0.6423 0.6423 0.6430 0.6430 1.3797 1.3797 1.3799 1.3799 1.8888 1.8888 1.8934 1.8934 2.8714 2.8714 2.8791 2.8791 3.1914 3.1914 3.1953 3.1953 4.1901 4.1901 4.1933 4.1933 4.7918 4.7918 4.7965 4.7965 5.4040 5.4040 5.4051 5.4051 6.9568 6.9568 6.9897 6.9897 7.1061 7.1061 7.1176 7.1176 7.4779 7.4779 7.5238 7.5238 8.6136 8.6136 8.6212 8.6212 9.1738 9.1738 9.1771 9.1771 13.9796 13.9797 k = 0.5000-0.2929-0.4836 ( 3288 PWs) bands (ev): -12.7213 -12.7213 -12.7212 -12.7212 -11.6029 -11.6029 -11.6023 -11.6023 -11.3699 -11.3699 -11.3695 -11.3695 -0.0012 -0.0012 -0.0003 -0.0003 0.6331 0.6331 0.6338 0.6338 1.3638 1.3638 1.3639 1.3639 1.9047 1.9047 1.9096 1.9096 2.8754 2.8754 2.8831 2.8831 3.1774 3.1774 3.1817 3.1817 4.1709 4.1709 4.1736 4.1736 4.8143 4.8143 4.8189 4.8189 5.4076 5.4076 5.4089 5.4089 6.9428 6.9428 6.9773 6.9773 7.1014 7.1014 7.1125 7.1125 7.4840 7.4840 7.5311 7.5311 8.5967 8.5967 8.6039 8.6039 9.1872 9.1872 9.1901 9.1901 13.9926 13.9927 k = 0.5000-0.2834-0.4980 ( 3288 PWs) bands (ev): -12.7157 -12.7157 -12.7156 -12.7156 -11.6114 -11.6114 -11.6108 -11.6108 -11.3688 -11.3688 -11.3684 -11.3684 0.0210 0.0210 0.0219 0.0219 0.6246 0.6246 0.6253 0.6253 1.3474 1.3474 1.3474 1.3474 1.9219 1.9219 1.9270 1.9270 2.8744 2.8744 2.8820 2.8820 3.1689 3.1689 3.1738 3.1738 4.1517 4.1517 4.1540 4.1540 4.8342 4.8342 4.8388 4.8388 5.4110 5.4110 5.4124 5.4124 6.9289 6.9289 6.9648 6.9648 7.0971 7.0971 7.1082 7.1082 7.4899 7.4899 7.5380 7.5380 8.5811 8.5811 8.5878 8.5878 9.1997 9.1997 9.2019 9.2019 14.0057 14.0058 k = 0.5000-0.2738-0.5125 ( 3292 PWs) bands (ev): -12.7101 -12.7101 -12.7100 -12.7100 -11.6202 -11.6202 -11.6196 -11.6196 -11.3674 -11.3674 -11.3670 -11.3670 0.0426 0.0426 0.0434 0.0434 0.6171 0.6171 0.6178 0.6178 1.3306 1.3306 1.3307 1.3307 1.9404 1.9404 1.9457 1.9457 2.8679 2.8679 2.8751 2.8751 3.1667 3.1667 3.1723 3.1723 4.1327 4.1327 4.1346 4.1346 4.8514 4.8514 4.8558 4.8558 5.4141 5.4141 5.4158 5.4158 6.9153 6.9153 6.9522 6.9522 7.0933 7.0933 7.1046 7.1046 7.4955 7.4955 7.5446 7.5446 8.5668 8.5668 8.5732 8.5732 9.2110 9.2110 9.2127 9.2127 14.0184 14.0185 k = 0.5000-0.2643-0.5269 ( 3290 PWs) bands (ev): -12.7045 -12.7045 -12.7044 -12.7044 -11.6291 -11.6291 -11.6286 -11.6286 -11.3658 -11.3658 -11.3653 -11.3653 0.0629 0.0629 0.0637 0.0637 0.6112 0.6112 0.6118 0.6118 1.3137 1.3137 1.3138 1.3138 1.9602 1.9602 1.9657 1.9657 2.8558 2.8558 2.8626 2.8626 3.1707 3.1707 3.1770 3.1770 4.1141 4.1141 4.1155 4.1155 4.8654 4.8654 4.8697 4.8697 5.4170 5.4170 5.4188 5.4188 6.9023 6.9023 6.9398 6.9398 7.0901 7.0901 7.1018 7.1018 7.5009 7.5009 7.5508 7.5508 8.5542 8.5542 8.5601 8.5601 9.2213 9.2213 9.2224 9.2224 14.0307 14.0310 k = 0.5000-0.2548-0.5414 ( 3292 PWs) bands (ev): -12.6990 -12.6990 -12.6990 -12.6990 -11.6381 -11.6381 -11.6376 -11.6376 -11.3639 -11.3639 -11.3633 -11.3633 0.0812 0.0812 0.0820 0.0820 0.6075 0.6075 0.6079 0.6079 1.2966 1.2966 1.2968 1.2968 1.9810 1.9810 1.9867 1.9867 2.8390 2.8390 2.8453 2.8453 3.1801 3.1801 3.1872 3.1872 4.0960 4.0960 4.0969 4.0969 4.8762 4.8762 4.8803 4.8803 5.4195 5.4195 5.4215 5.4215 6.8900 6.8900 6.9278 6.9278 7.0873 7.0873 7.0997 7.0997 7.5059 7.5059 7.5566 7.5566 8.5430 8.5430 8.5485 8.5485 9.2304 9.2304 9.2309 9.2309 14.0426 14.0428 k = 0.5000-0.2452-0.5558 ( 3298 PWs) bands (ev): -12.6938 -12.6938 -12.6938 -12.6938 -11.6470 -11.6470 -11.6465 -11.6465 -11.3617 -11.3617 -11.3611 -11.3611 0.0970 0.0970 0.0976 0.0976 0.6064 0.6064 0.6068 0.6068 1.2794 1.2794 1.2797 1.2797 2.0029 2.0029 2.0088 2.0088 2.8185 2.8185 2.8242 2.8242 3.1938 3.1938 3.2016 3.2016 4.0786 4.0786 4.0791 4.0791 4.8835 4.8835 4.8874 4.8874 5.4215 5.4215 5.4237 5.4237 6.8785 6.8785 6.9164 6.9164 7.0852 7.0852 7.0984 7.0984 7.5106 7.5106 7.5620 7.5620 8.5334 8.5334 8.5385 8.5385 9.2383 9.2383 9.2383 9.2383 14.0535 14.0537 k = 0.5000-0.2357-0.5703 ( 3296 PWs) bands (ev): -12.6889 -12.6889 -12.6889 -12.6889 -11.6557 -11.6557 -11.6551 -11.6551 -11.3593 -11.3593 -11.3586 -11.3586 0.1095 0.1095 0.1100 0.1100 0.6085 0.6085 0.6088 0.6088 1.2624 1.2624 1.2628 1.2628 2.0257 2.0257 2.0317 2.0317 2.7953 2.7953 2.8006 2.8006 3.2108 3.2108 3.2193 3.2193 4.0622 4.0622 4.0623 4.0623 4.8873 4.8873 4.8910 4.8910 5.4231 5.4231 5.4253 5.4253 6.8680 6.8680 6.9057 6.9057 7.0837 7.0837 7.0979 7.0979 7.5150 7.5150 7.5671 7.5671 8.5254 8.5254 8.5300 8.5300 9.2446 9.2446 9.2451 9.2451 14.0640 14.0641 k = 0.5000-0.2262-0.5847 ( 3292 PWs) bands (ev): -12.6845 -12.6845 -12.6845 -12.6845 -11.6640 -11.6640 -11.6634 -11.6634 -11.3566 -11.3566 -11.3559 -11.3559 0.1184 0.1184 0.1187 0.1187 0.6143 0.6143 0.6143 0.6143 1.2455 1.2455 1.2460 1.2460 2.0492 2.0492 2.0554 2.0554 2.7703 2.7703 2.7751 2.7751 3.2302 3.2302 3.2393 3.2393 4.0466 4.0466 4.0470 4.0470 4.8876 4.8876 4.8910 4.8910 5.4239 5.4239 5.4263 5.4263 6.8586 6.8586 6.8959 6.8959 7.0830 7.0830 7.0982 7.0982 7.5190 7.5190 7.5718 7.5718 8.5191 8.5191 8.5233 8.5233 9.2498 9.2498 9.2508 9.2508 14.0732 14.0736 k = 0.5000-0.2166-0.5992 ( 3288 PWs) bands (ev): -12.6806 -12.6806 -12.6805 -12.6805 -11.6718 -11.6718 -11.6712 -11.6712 -11.3538 -11.3538 -11.3529 -11.3529 0.1232 0.1232 0.1233 0.1233 0.6236 0.6236 0.6237 0.6237 1.2290 1.2290 1.2296 1.2296 2.0732 2.0732 2.0796 2.0796 2.7443 2.7443 2.7487 2.7487 3.2514 3.2514 3.2610 3.2610 4.0323 4.0323 4.0332 4.0332 4.8844 4.8844 4.8876 4.8876 5.4240 5.4240 5.4265 5.4265 6.8502 6.8502 6.8869 6.8869 7.0829 7.0829 7.0994 7.0994 7.5227 7.5227 7.5760 7.5760 8.5144 8.5144 8.5182 8.5182 9.2538 9.2538 9.2554 9.2554 14.0817 14.0819 k = 0.5000-0.2071-0.6136 ( 3280 PWs) bands (ev): -12.6772 -12.6772 -12.6772 -12.6772 -11.6790 -11.6790 -11.6784 -11.6784 -11.3507 -11.3507 -11.3498 -11.3498 0.1239 0.1239 0.1239 0.1239 0.6365 0.6365 0.6367 0.6367 1.2128 1.2128 1.2136 1.2136 2.0974 2.0974 2.1039 2.1039 2.7179 2.7179 2.7218 2.7218 3.2737 3.2737 3.2838 3.2838 4.0196 4.0196 4.0210 4.0210 4.8778 4.8778 4.8807 4.8807 5.4233 5.4233 5.4258 5.4258 6.8429 6.8429 6.8788 6.8788 7.0837 7.0837 7.1013 7.1013 7.5260 7.5260 7.5799 7.5799 8.5112 8.5112 8.5147 8.5147 9.2567 9.2567 9.2588 9.2588 14.0888 14.0890 k = 0.5000-0.1976-0.6281 ( 3280 PWs) bands (ev): -12.6747 -12.6747 -12.6746 -12.6746 -11.6854 -11.6854 -11.6848 -11.6848 -11.3475 -11.3475 -11.3465 -11.3465 0.1206 0.1206 0.1208 0.1208 0.6526 0.6526 0.6529 0.6529 1.1973 1.1973 1.1982 1.1982 2.1214 2.1214 2.1280 2.1280 2.6916 2.6916 2.6951 2.6951 3.2969 3.2969 3.3073 3.3073 4.0087 4.0087 4.0106 4.0106 4.8681 4.8681 4.8706 4.8706 5.4217 5.4217 5.4241 5.4241 6.8366 6.8366 6.8717 6.8717 7.0852 7.0852 7.1041 7.1041 7.5289 7.5289 7.5833 7.5833 8.5095 8.5095 8.5127 8.5127 9.2585 9.2585 9.2611 9.2611 14.0949 14.0950 k = 0.5000-0.1881-0.6425 ( 3284 PWs) bands (ev): -12.6729 -12.6729 -12.6728 -12.6728 -11.6910 -11.6910 -11.6903 -11.6903 -11.3441 -11.3441 -11.3431 -11.3431 0.1139 0.1139 0.1142 0.1142 0.6712 0.6712 0.6717 0.6717 1.1825 1.1825 1.1836 1.1836 2.1447 2.1447 2.1513 2.1513 2.6662 2.6662 2.6691 2.6691 3.3204 3.3204 3.3312 3.3312 3.9997 3.9997 4.0021 4.0021 4.8554 4.8554 4.8576 4.8576 5.4191 5.4191 5.4213 5.4213 6.8314 6.8314 6.8655 6.8655 7.0875 7.0875 7.1077 7.1077 7.5314 7.5314 7.5863 7.5863 8.5093 8.5093 8.5122 8.5122 9.2591 9.2591 9.2623 9.2623 14.0996 14.0999 k = 0.5000-0.1785-0.6570 ( 3288 PWs) bands (ev): -12.6720 -12.6720 -12.6719 -12.6719 -11.6955 -11.6955 -11.6948 -11.6948 -11.3405 -11.3405 -11.3395 -11.3395 0.1041 0.1041 0.1046 0.1046 0.6918 0.6918 0.6923 0.6923 1.1688 1.1688 1.1699 1.1699 2.1665 2.1665 2.1730 2.1730 2.6423 2.6423 2.6447 2.6447 3.3442 3.3442 3.3553 3.3553 3.9929 3.9929 3.9958 3.9958 4.8401 4.8401 4.8420 4.8420 5.4154 5.4154 5.4175 5.4175 6.8272 6.8272 6.8602 6.8602 7.0906 7.0906 7.1120 7.1120 7.5335 7.5335 7.5889 7.5889 8.5105 8.5105 8.5131 8.5131 9.2588 9.2588 9.2625 9.2625 14.1033 14.1036 k = 0.5000-0.1690-0.6714 ( 3286 PWs) bands (ev): -12.6721 -12.6721 -12.6720 -12.6720 -11.6989 -11.6989 -11.6982 -11.6982 -11.3369 -11.3369 -11.3358 -11.3358 0.0920 0.0920 0.0926 0.0926 0.7133 0.7133 0.7139 0.7139 1.1563 1.1563 1.1576 1.1576 2.1859 2.1859 2.1922 2.1922 2.6212 2.6212 2.6228 2.6228 3.3680 3.3680 3.3794 3.3794 3.9883 3.9883 3.9918 3.9918 4.8226 4.8226 4.8240 4.8240 5.4105 5.4105 5.4124 5.4124 6.8240 6.8240 6.8559 6.8559 7.0945 7.0945 7.1170 7.1170 7.5352 7.5352 7.5911 7.5911 8.5130 8.5130 8.5153 8.5153 9.2575 9.2575 9.2616 9.2616 14.1054 14.1057 k = 0.5000-0.1595-0.6859 ( 3282 PWs) bands (ev): -12.6732 -12.6732 -12.6730 -12.6730 -11.7011 -11.7011 -11.7004 -11.7004 -11.3331 -11.3331 -11.3320 -11.3320 0.0779 0.0779 0.0786 0.0786 0.7349 0.7349 0.7356 0.7356 1.1455 1.1455 1.1468 1.1468 2.2015 2.2015 2.2075 2.2075 2.6039 2.6039 2.6047 2.6047 3.3916 3.3916 3.4032 3.4032 3.9860 3.9860 3.9900 3.9900 4.8031 4.8031 4.8042 4.8042 5.4046 5.4046 5.4062 5.4062 6.8217 6.8217 6.8525 6.8525 7.0991 7.0991 7.1228 7.1228 7.5364 7.5364 7.5928 7.5928 8.5167 8.5167 8.5189 8.5189 9.2553 9.2553 9.2599 9.2599 14.1062 14.1064 k = 0.5000-0.1499-0.7003 ( 3280 PWs) bands (ev): -12.6754 -12.6754 -12.6752 -12.6752 -11.7021 -11.7021 -11.7013 -11.7013 -11.3293 -11.3293 -11.3281 -11.3281 0.0622 0.0622 0.0631 0.0631 0.7558 0.7558 0.7565 0.7565 1.1366 1.1366 1.1381 1.1381 2.2118 2.2118 2.2173 2.2173 2.5919 2.5919 2.5921 2.5921 3.4148 3.4148 3.4265 3.4265 3.9861 3.9861 3.9907 3.9907 4.7822 4.7822 4.7828 4.7828 5.3974 5.3974 5.3988 5.3988 6.8203 6.8203 6.8501 6.8501 7.1045 7.1045 7.1291 7.1291 7.5372 7.5372 7.5940 7.5940 8.5215 8.5215 8.5236 8.5236 9.2522 9.2522 9.2572 9.2572 14.1058 14.1062 k = 0.5000-0.1404-0.7148 ( 3276 PWs) bands (ev): -12.6786 -12.6786 -12.6784 -12.6784 -11.7017 -11.7017 -11.7009 -11.7009 -11.3253 -11.3253 -11.3241 -11.3241 0.0454 0.0454 0.0464 0.0464 0.7751 0.7751 0.7756 0.7756 1.1302 1.1302 1.1318 1.1318 2.2155 2.2155 2.2203 2.2203 2.5858 2.5858 2.5871 2.5871 3.4373 3.4373 3.4492 3.4492 3.9887 3.9887 3.9939 3.9939 4.7602 4.7602 4.7604 4.7604 5.3891 5.3891 5.3902 5.3902 6.8198 6.8198 6.8485 6.8485 7.1105 7.1105 7.1360 7.1360 7.5376 7.5376 7.5948 7.5948 8.5273 8.5273 8.5293 8.5293 9.2482 9.2482 9.2537 9.2537 14.1040 14.1043 k = 0.7824-0.0101-0.4103 ( 3276 PWs) bands (ev): -12.6786 -12.6786 -12.6784 -12.6784 -11.7017 -11.7017 -11.7009 -11.7009 -11.3253 -11.3253 -11.3241 -11.3241 0.0454 0.0454 0.0464 0.0464 0.7751 0.7751 0.7756 0.7756 1.1302 1.1302 1.1318 1.1318 2.2155 2.2155 2.2203 2.2203 2.5858 2.5858 2.5871 2.5871 3.4373 3.4373 3.4492 3.4492 3.9887 3.9887 3.9939 3.9939 4.7602 4.7602 4.7604 4.7604 5.3891 5.3891 5.3902 5.3902 6.8198 6.8198 6.8485 6.8485 7.1105 7.1105 7.1360 7.1360 7.5376 7.5376 7.5948 7.5948 8.5273 8.5273 8.5293 8.5293 9.2482 9.2482 9.2537 9.2537 14.1042 14.1044 k = 0.7752-0.0039-0.3959 ( 3278 PWs) bands (ev): -12.6830 -12.6830 -12.6828 -12.6828 -11.7000 -11.7000 -11.6992 -11.6992 -11.3213 -11.3213 -11.3201 -11.3201 0.0279 0.0279 0.0289 0.0289 0.7918 0.7918 0.7923 0.7923 1.1267 1.1267 1.1283 1.1283 2.2116 2.2116 2.2157 2.2157 2.5871 2.5871 2.5896 2.5896 3.4590 3.4590 3.4711 3.4711 3.9936 3.9936 3.9994 3.9994 4.7375 4.7375 4.7377 4.7377 5.3797 5.3797 5.3805 5.3805 6.8199 6.8199 6.8478 6.8478 7.1171 7.1171 7.1433 7.1433 7.5374 7.5374 7.5950 7.5950 8.5340 8.5340 8.5360 8.5360 9.2435 9.2435 9.2494 9.2494 14.1009 14.1012 k = 0.7679 0.0023-0.3815 ( 3282 PWs) bands (ev): -12.6884 -12.6884 -12.6882 -12.6882 -11.6969 -11.6969 -11.6961 -11.6961 -11.3173 -11.3173 -11.3161 -11.3161 0.0098 0.0098 0.0109 0.0109 0.8054 0.8054 0.8057 0.8057 1.1264 1.1264 1.1280 1.1280 2.2003 2.2003 2.2037 2.2037 2.5959 2.5959 2.5995 2.5995 3.4797 3.4797 3.4919 3.4919 4.0008 4.0008 4.0072 4.0072 4.7145 4.7145 4.7152 4.7152 5.3692 5.3692 5.3696 5.3696 6.8209 6.8209 6.8480 6.8480 7.1241 7.1241 7.1509 7.1509 7.5367 7.5367 7.5948 7.5948 8.5414 8.5414 8.5434 8.5434 9.2381 9.2381 9.2443 9.2443 14.0965 14.0967 k = 0.7607 0.0085-0.3671 ( 3286 PWs) bands (ev): -12.6950 -12.6950 -12.6947 -12.6947 -11.6924 -11.6924 -11.6916 -11.6916 -11.3133 -11.3133 -11.3120 -11.3120 -0.0086 -0.0086 -0.0074 -0.0074 0.8154 0.8154 0.8155 0.8155 1.1294 1.1294 1.1309 1.1309 2.1824 2.1824 2.1853 2.1853 2.6112 2.6112 2.6158 2.6158 3.4992 3.4992 3.5114 3.5114 4.0103 4.0103 4.0172 4.0172 4.6920 4.6920 4.6931 4.6931 5.3577 5.3577 5.3578 5.3578 6.8226 6.8226 6.8490 6.8490 7.1316 7.1316 7.1589 7.1589 7.5355 7.5355 7.5940 7.5940 8.5496 8.5496 8.5516 8.5516 9.2320 9.2320 9.2387 9.2387 14.0908 14.0912 k = 0.7534 0.0146-0.3526 ( 3290 PWs) bands (ev): -12.7026 -12.7026 -12.7023 -12.7023 -11.6866 -11.6866 -11.6858 -11.6858 -11.3092 -11.3092 -11.3079 -11.3079 -0.0271 -0.0271 -0.0258 -0.0258 0.8215 0.8215 0.8217 0.8217 1.1356 1.1356 1.1370 1.1370 2.1594 2.1594 2.1619 2.1619 2.6318 2.6318 2.6372 2.6372 3.5172 3.5172 3.5293 3.5293 4.0218 4.0218 4.0293 4.0293 4.6706 4.6706 4.6721 4.6721 5.3450 5.3450 5.3453 5.3453 6.8250 6.8250 6.8508 6.8508 7.1394 7.1394 7.1670 7.1670 7.5336 7.5336 7.5926 7.5926 8.5584 8.5584 8.5605 8.5605 9.2254 9.2254 9.2324 9.2324 14.0841 14.0843 k = 0.7462 0.0208-0.3382 ( 3290 PWs) bands (ev): -12.7111 -12.7111 -12.7108 -12.7108 -11.6796 -11.6796 -11.6787 -11.6787 -11.3051 -11.3051 -11.3038 -11.3038 -0.0455 -0.0455 -0.0442 -0.0442 0.8240 0.8240 0.8244 0.8244 1.1443 1.1443 1.1456 1.1456 2.1328 2.1328 2.1350 2.1350 2.6561 2.6561 2.6622 2.6622 3.5333 3.5333 3.5455 3.5455 4.0352 4.0352 4.0433 4.0433 4.6507 4.6507 4.6526 4.6526 5.3315 5.3315 5.3322 5.3322 6.8281 6.8281 6.8534 6.8534 7.1474 7.1474 7.1752 7.1752 7.5313 7.5313 7.5907 7.5907 8.5677 8.5677 8.5699 8.5699 9.2183 9.2183 9.2257 9.2257 14.0760 14.0762 k = 0.7389 0.0270-0.3238 ( 3290 PWs) bands (ev): -12.7206 -12.7206 -12.7202 -12.7202 -11.6713 -11.6713 -11.6704 -11.6704 -11.3011 -11.3011 -11.2998 -11.2998 -0.0637 -0.0637 -0.0623 -0.0623 0.8233 0.8233 0.8241 0.8241 1.1549 1.1549 1.1562 1.1562 2.1037 2.1037 2.1058 2.1058 2.6833 2.6833 2.6898 2.6898 3.5474 3.5474 3.5595 3.5595 4.0503 4.0503 4.0590 4.0590 4.6329 4.6329 4.6352 4.6352 5.3173 5.3173 5.3184 5.3184 6.8319 6.8319 6.8569 6.8569 7.1556 7.1556 7.1835 7.1835 7.5283 7.5283 7.5882 7.5882 8.5774 8.5774 8.5797 8.5797 9.2108 9.2108 9.2185 9.2185 14.0668 14.0671 k = 0.7317 0.0332-0.3094 ( 3290 PWs) bands (ev): -12.7308 -12.7308 -12.7305 -12.7305 -11.6618 -11.6618 -11.6609 -11.6609 -11.2971 -11.2971 -11.2958 -11.2958 -0.0816 -0.0816 -0.0802 -0.0802 0.8202 0.8202 0.8212 0.8212 1.1665 1.1665 1.1676 1.1676 2.0733 2.0733 2.0754 2.0754 2.7122 2.7122 2.7191 2.7191 3.5591 3.5591 3.5711 3.5711 4.0669 4.0669 4.0761 4.0761 4.6178 4.6178 4.6204 4.6204 5.3026 5.3026 5.3041 5.3041 6.8364 6.8364 6.8611 6.8611 7.1638 7.1638 7.1918 7.1918 7.5248 7.5248 7.5851 7.5851 8.5874 8.5874 8.5899 8.5899 9.2029 9.2029 9.2109 9.2109 14.0566 14.0568 k = 0.7245 0.0393-0.2949 ( 3290 PWs) bands (ev): -12.7419 -12.7419 -12.7415 -12.7415 -11.6513 -11.6513 -11.6504 -11.6504 -11.2931 -11.2931 -11.2918 -11.2918 -0.0991 -0.0991 -0.0976 -0.0976 0.8152 0.8152 0.8164 0.8164 1.1781 1.1781 1.1791 1.1791 2.0426 2.0426 2.0447 2.0447 2.7424 2.7424 2.7495 2.7495 3.5682 3.5682 3.5800 3.5800 4.0848 4.0848 4.0944 4.0944 4.6058 4.6058 4.6087 4.6087 5.2877 5.2877 5.2895 5.2895 6.8416 6.8416 6.8662 6.8662 7.1719 7.1719 7.1999 7.1999 7.5206 7.5206 7.5814 7.5814 8.5977 8.5977 8.6004 8.6004 9.1948 9.1948 9.2031 9.2031 14.0455 14.0456 k = 0.7172 0.0455-0.2805 ( 3290 PWs) bands (ev): -12.7536 -12.7536 -12.7532 -12.7532 -11.6399 -11.6399 -11.6389 -11.6389 -11.2892 -11.2892 -11.2879 -11.2879 -0.1160 -0.1160 -0.1145 -0.1145 0.8088 0.8088 0.8102 0.8102 1.1888 1.1888 1.1898 1.1898 2.0122 2.0122 2.0144 2.0144 2.7732 2.7732 2.7805 2.7805 3.5743 3.5743 3.5859 3.5859 4.1035 4.1035 4.1135 4.1135 4.5973 4.5973 4.6005 4.6005 5.2728 5.2728 5.2749 5.2749 6.8474 6.8474 6.8720 6.8720 7.1799 7.1799 7.2078 7.2078 7.5159 7.5159 7.5772 7.5772 8.6083 8.6083 8.6112 8.6112 9.1864 9.1864 9.1949 9.1949 14.0333 14.0334 k = 0.7100 0.0517-0.2661 ( 3282 PWs) bands (ev): -12.7658 -12.7658 -12.7654 -12.7654 -11.6275 -11.6275 -11.6266 -11.6266 -11.2853 -11.2853 -11.2840 -11.2840 -0.1324 -0.1324 -0.1308 -0.1308 0.8014 0.8014 0.8030 0.8030 1.1978 1.1978 1.1987 1.1987 1.9831 1.9831 1.9854 1.9854 2.8044 2.8044 2.8118 2.8118 3.5773 3.5773 3.5888 3.5888 4.1228 4.1228 4.1331 4.1331 4.5927 4.5927 4.5960 4.5960 5.2582 5.2582 5.2606 5.2606 6.8540 6.8540 6.8787 6.8787 7.1878 7.1878 7.2155 7.2155 7.5105 7.5105 7.5724 7.5724 8.6190 8.6190 8.6221 8.6221 9.1779 9.1779 9.1866 9.1866 14.0203 14.0204 k = 0.7027 0.0579-0.2517 ( 3282 PWs) bands (ev): -12.7785 -12.7785 -12.7781 -12.7781 -11.6144 -11.6144 -11.6134 -11.6134 -11.2816 -11.2816 -11.2803 -11.2803 -0.1481 -0.1481 -0.1465 -0.1465 0.7934 0.7934 0.7952 0.7952 1.2043 1.2043 1.2052 1.2052 1.9558 1.9558 1.9582 1.9582 2.8354 2.8354 2.8429 2.8429 3.5772 3.5772 3.5884 3.5884 4.1422 4.1422 4.1528 4.1528 4.5921 4.5921 4.5954 4.5954 5.2441 5.2441 5.2467 5.2467 6.8611 6.8611 6.8860 6.8860 7.1953 7.1953 7.2228 7.2228 7.5046 7.5046 7.5669 7.5669 8.6298 8.6298 8.6331 8.6331 9.1692 9.1692 9.1782 9.1782 14.0065 14.0065 k = 0.6955 0.0640-0.2372 ( 3278 PWs) bands (ev): -12.7915 -12.7915 -12.7912 -12.7912 -11.6006 -11.6006 -11.5996 -11.5996 -11.2779 -11.2779 -11.2766 -11.2766 -0.1631 -0.1631 -0.1614 -0.1614 0.7851 0.7851 0.7871 0.7871 1.2077 1.2077 1.2085 1.2085 1.9312 1.9312 1.9336 1.9336 2.8663 2.8663 2.8737 2.8737 3.5740 3.5740 3.5849 3.5849 4.1615 4.1615 4.1722 4.1722 4.5955 4.5955 4.5989 4.5989 5.2309 5.2309 5.2337 5.2337 6.8690 6.8690 6.8941 6.8941 7.2026 7.2026 7.2299 7.2299 7.4980 7.4980 7.5609 7.5609 8.6408 8.6408 8.6443 8.6443 9.1604 9.1604 9.1695 9.1695 13.9919 13.9920 k = 0.6883 0.0702-0.2228 ( 3278 PWs) bands (ev): -12.8049 -12.8049 -12.8045 -12.8045 -11.5862 -11.5862 -11.5853 -11.5853 -11.2743 -11.2743 -11.2730 -11.2730 -0.1774 -0.1774 -0.1757 -0.1757 0.7767 0.7767 0.7788 0.7788 1.2075 1.2075 1.2082 1.2082 1.9096 1.9096 1.9122 1.9122 2.8966 2.8966 2.9041 2.9041 3.5679 3.5679 3.5785 3.5785 4.1800 4.1800 4.1908 4.1908 4.6030 4.6030 4.6064 4.6064 5.2189 5.2189 5.2219 5.2219 6.8774 6.8774 6.9029 6.9029 7.2094 7.2094 7.2365 7.2365 7.4909 7.4909 7.5544 7.5544 8.6518 8.6518 8.6555 8.6555 9.1516 9.1516 9.1608 9.1608 13.9767 13.9768 k = 0.6810 0.0764-0.2084 ( 3278 PWs) bands (ev): -12.8184 -12.8184 -12.8180 -12.8180 -11.5714 -11.5714 -11.5704 -11.5704 -11.2709 -11.2709 -11.2696 -11.2696 -0.1909 -0.1909 -0.1891 -0.1891 0.7683 0.7683 0.7705 0.7705 1.2031 1.2031 1.2038 1.2038 1.8916 1.8916 1.8943 1.8943 2.9264 2.9264 2.9337 2.9337 3.5591 3.5591 3.5694 3.5694 4.1972 4.1972 4.2080 4.2080 4.6143 4.6143 4.6176 4.6176 5.2084 5.2084 5.2116 5.2116 6.8865 6.8865 6.9124 6.9124 7.2157 7.2157 7.2426 7.2426 7.4833 7.4833 7.5473 7.5473 8.6629 8.6629 8.6668 8.6668 9.1427 9.1427 9.1520 9.1520 13.9610 13.9611 k = 0.6738 0.0825-0.1940 ( 3276 PWs) bands (ev): -12.8320 -12.8320 -12.8316 -12.8316 -11.5562 -11.5562 -11.5552 -11.5552 -11.2675 -11.2675 -11.2663 -11.2663 -0.2035 -0.2035 -0.2017 -0.2017 0.7601 0.7601 0.7624 0.7624 1.1945 1.1945 1.1950 1.1950 1.8775 1.8775 1.8802 1.8802 2.9554 2.9554 2.9626 2.9626 3.5481 3.5481 3.5579 3.5579 4.2126 4.2126 4.2232 4.2232 4.6293 4.6293 4.6325 4.6325 5.1999 5.1999 5.2031 5.2031 6.8961 6.8961 6.9225 6.9225 7.2216 7.2216 7.2483 7.2483 7.4752 7.4752 7.5398 7.5398 8.6740 8.6740 8.6781 8.6781 9.1339 9.1339 9.1432 9.1432 13.9447 13.9449 k = 0.6665 0.0887-0.1795 ( 3276 PWs) bands (ev): -12.8457 -12.8457 -12.8453 -12.8453 -11.5407 -11.5407 -11.5398 -11.5398 -11.2644 -11.2644 -11.2632 -11.2632 -0.2154 -0.2154 -0.2135 -0.2135 0.7522 0.7522 0.7545 0.7545 1.1816 1.1816 1.1820 1.1820 1.8673 1.8673 1.8700 1.8700 2.9835 2.9835 2.9906 2.9906 3.5351 3.5351 3.5446 3.5446 4.2257 4.2257 4.2360 4.2360 4.6477 4.6477 4.6507 4.6507 5.1936 5.1936 5.1968 5.1968 6.9063 6.9063 6.9333 6.9333 7.2270 7.2270 7.2535 7.2535 7.4666 7.4666 7.5318 7.5318 8.6851 8.6851 8.6894 8.6894 9.1250 9.1250 9.1343 9.1343 13.9281 13.9283 k = 0.6593 0.0949-0.1651 ( 3276 PWs) bands (ev): -12.8592 -12.8592 -12.8588 -12.8588 -11.5250 -11.5250 -11.5241 -11.5241 -11.2613 -11.2613 -11.2602 -11.2602 -0.2263 -0.2263 -0.2244 -0.2244 0.7446 0.7446 0.7470 0.7470 1.1646 1.1646 1.1649 1.1649 1.8609 1.8609 1.8636 1.8636 3.0108 3.0108 3.0177 3.0177 3.5207 3.5207 3.5298 3.5298 4.2360 4.2360 4.2458 4.2458 4.6692 4.6692 4.6719 4.6719 5.1898 5.1898 5.1929 5.1929 6.9171 6.9171 6.9447 6.9447 7.2318 7.2318 7.2582 7.2582 7.4575 7.4575 7.5233 7.5233 8.6963 8.6963 8.7007 8.7007 9.1162 9.1162 9.1254 9.1254 13.9112 13.9115 k = 0.6521 0.1011-0.1507 ( 3278 PWs) bands (ev): -12.8726 -12.8726 -12.8723 -12.8723 -11.5093 -11.5093 -11.5084 -11.5084 -11.2585 -11.2585 -11.2574 -11.2574 -0.2364 -0.2364 -0.2345 -0.2345 0.7374 0.7374 0.7398 0.7398 1.1440 1.1440 1.1441 1.1441 1.8579 1.8579 1.8606 1.8606 3.0370 3.0370 3.0437 3.0437 3.5052 3.5052 3.5140 3.5140 4.2430 4.2430 4.2523 4.2523 4.6934 4.6934 4.6958 4.6958 5.1886 5.1886 5.1915 5.1915 6.9283 6.9283 6.9566 6.9566 7.2361 7.2361 7.2623 7.2623 7.4481 7.4481 7.5145 7.5145 8.7075 8.7075 8.7120 8.7120 9.1073 9.1073 9.1165 9.1165 13.8941 13.8943 k = 0.6448 0.1072-0.1363 ( 3282 PWs) bands (ev): -12.8859 -12.8859 -12.8855 -12.8855 -11.4935 -11.4935 -11.4926 -11.4926 -11.2558 -11.2558 -11.2547 -11.2547 -0.2457 -0.2457 -0.2437 -0.2437 0.7307 0.7307 0.7331 0.7331 1.1202 1.1202 1.1202 1.1202 1.8578 1.8578 1.8605 1.8605 3.0622 3.0622 3.0686 3.0686 3.4892 3.4892 3.4976 3.4976 4.2465 4.2465 4.2552 4.2552 4.7200 4.7200 4.7221 4.7221 5.1901 5.1901 5.1928 5.1928 6.9401 6.9401 6.9690 6.9690 7.2398 7.2398 7.2658 7.2658 7.4384 7.4384 7.5053 7.5053 8.7188 8.7188 8.7234 8.7234 9.0985 9.0985 9.1076 9.1076 13.8769 13.8771 k = 0.6376 0.1134-0.1218 ( 3286 PWs) bands (ev): -12.8988 -12.8988 -12.8985 -12.8985 -11.4778 -11.4778 -11.4770 -11.4770 -11.2533 -11.2533 -11.2523 -11.2523 -0.2541 -0.2541 -0.2521 -0.2521 0.7244 0.7244 0.7268 0.7268 1.0937 1.0937 1.0939 1.0939 1.8603 1.8603 1.8629 1.8629 3.0863 3.0863 3.0925 3.0925 3.4729 3.4729 3.4810 3.4810 4.2464 4.2464 4.2543 4.2543 4.7486 4.7486 4.7504 4.7504 5.1942 5.1942 5.1967 5.1967 6.9523 6.9523 6.9819 6.9819 7.2429 7.2429 7.2688 7.2688 7.4283 7.4283 7.4959 7.4959 8.7300 8.7300 8.7347 8.7347 9.0898 9.0898 9.0986 9.0986 13.8596 13.8599 k = 0.6303 0.1196-0.1074 ( 3292 PWs) bands (ev): -12.9114 -12.9114 -12.9111 -12.9111 -11.4623 -11.4623 -11.4615 -11.4615 -11.2511 -11.2511 -11.2501 -11.2501 -0.2616 -0.2616 -0.2596 -0.2596 0.7186 0.7186 0.7209 0.7209 1.0654 1.0654 1.0657 1.0657 1.8648 1.8648 1.8674 1.8674 3.1093 3.1093 3.1152 3.1152 3.4568 3.4568 3.4645 3.4645 4.2427 4.2427 4.2498 4.2498 4.7789 4.7789 4.7804 4.7804 5.2007 5.2007 5.2029 5.2029 6.9648 6.9648 6.9952 6.9952 7.2454 7.2454 7.2712 7.2712 7.4181 7.4181 7.4861 7.4861 8.7413 8.7413 8.7461 8.7461 9.0810 9.0810 9.0897 9.0897 13.8425 13.8430 k = 0.6231 0.1258-0.0930 ( 3298 PWs) bands (ev): -12.9236 -12.9236 -12.9233 -12.9233 -11.4470 -11.4470 -11.4462 -11.4462 -11.2490 -11.2490 -11.2481 -11.2481 -0.2683 -0.2683 -0.2663 -0.2663 0.7132 0.7132 0.7155 0.7155 1.0357 1.0357 1.0362 1.0362 1.8708 1.8708 1.8733 1.8733 3.1312 3.1312 3.1368 3.1368 3.4411 3.4411 3.4485 3.4485 4.2355 4.2355 4.2419 4.2419 4.8105 4.8105 4.8117 4.8117 5.2093 5.2093 5.2112 5.2112 6.9778 6.9778 7.0089 7.0089 7.2473 7.2473 7.2730 7.2730 7.4077 7.4077 7.4761 7.4761 8.7527 8.7527 8.7574 8.7574 9.0724 9.0724 9.0808 9.0808 13.8257 13.8260 k = 0.6159 0.1319-0.0786 ( 3292 PWs) bands (ev): -12.9354 -12.9354 -12.9351 -12.9351 -11.4320 -11.4320 -11.4313 -11.4313 -11.2472 -11.2472 -11.2463 -11.2463 -0.2741 -0.2741 -0.2721 -0.2721 0.7084 0.7084 0.7106 0.7106 1.0053 1.0053 1.0059 1.0059 1.8779 1.8779 1.8803 1.8803 3.1519 3.1519 3.1572 3.1572 3.4262 3.4262 3.4332 3.4332 4.2251 4.2251 4.2308 4.2308 4.8431 4.8431 4.8440 4.8440 5.2196 5.2196 5.2212 5.2212 6.9911 6.9911 7.0230 7.0230 7.2487 7.2487 7.2744 7.2744 7.3972 7.3972 7.4660 7.4660 8.7640 8.7640 8.7688 8.7688 9.0638 9.0638 9.0719 9.0719 13.8093 13.8094 k = 0.6086 0.1381-0.0641 ( 3290 PWs) bands (ev): -12.9467 -12.9467 -12.9464 -12.9464 -11.4174 -11.4174 -11.4166 -11.4166 -11.2457 -11.2457 -11.2448 -11.2448 -0.2792 -0.2792 -0.2772 -0.2772 0.7040 0.7040 0.7062 0.7062 0.9745 0.9745 0.9752 0.9752 1.8857 1.8857 1.8880 1.8880 3.1716 3.1716 3.1765 3.1765 3.4122 3.4122 3.4189 3.4189 4.2120 4.2120 4.2169 4.2169 4.8763 4.8763 4.8770 4.8770 5.2311 5.2311 5.2324 5.2324 7.0047 7.0047 7.0373 7.0373 7.2496 7.2496 7.2751 7.2751 7.3866 7.3866 7.4557 7.4557 8.7754 8.7754 8.7801 8.7801 9.0552 9.0552 9.0630 9.0630 13.7925 13.7930 k = 0.6014 0.1443-0.0497 ( 3290 PWs) bands (ev): -12.9574 -12.9574 -12.9571 -12.9571 -11.4032 -11.4032 -11.4025 -11.4025 -11.2444 -11.2444 -11.2436 -11.2436 -0.2835 -0.2835 -0.2815 -0.2815 0.7001 0.7001 0.7022 0.7022 0.9439 0.9439 0.9446 0.9446 1.8938 1.8938 1.8960 1.8960 3.1901 3.1901 3.1947 3.1947 3.3994 3.3994 3.4056 3.4056 4.1965 4.1965 4.2007 4.2007 4.9099 4.9099 4.9104 4.9104 5.2434 5.2434 5.2444 5.2444 7.0185 7.0185 7.0518 7.0518 7.2500 7.2500 7.2753 7.2753 7.3761 7.3761 7.4453 7.4453 8.7868 8.7868 8.7913 8.7913 9.0467 9.0467 9.0541 9.0541 13.7767 13.7771 k = 0.5941 0.1505-0.0353 ( 3294 PWs) bands (ev): -12.9676 -12.9676 -12.9673 -12.9673 -11.3894 -11.3894 -11.3887 -11.3887 -11.2434 -11.2434 -11.2426 -11.2426 -0.2871 -0.2871 -0.2852 -0.2852 0.6966 0.6966 0.6986 0.6986 0.9138 0.9138 0.9146 0.9146 1.9020 1.9020 1.9042 1.9042 3.2075 3.2075 3.2117 3.2117 3.3877 3.3877 3.3936 3.3936 4.1790 4.1790 4.1827 4.1827 4.9435 4.9435 4.9438 4.9438 5.2559 5.2559 5.2567 5.2567 7.0324 7.0324 7.0665 7.0665 7.2499 7.2499 7.2749 7.2749 7.3656 7.3656 7.4348 7.4348 8.7981 8.7981 8.8025 8.8025 9.0382 9.0382 9.0452 9.0452 13.7616 13.7622 k = 0.5869 0.1566-0.0209 ( 3292 PWs) bands (ev): -12.9771 -12.9771 -12.9769 -12.9769 -11.3761 -11.3761 -11.3755 -11.3755 -11.2427 -11.2427 -11.2420 -11.2420 -0.2900 -0.2900 -0.2881 -0.2881 0.6935 0.6935 0.6954 0.6954 0.8845 0.8845 0.8854 0.8854 1.9102 1.9102 1.9122 1.9122 3.2238 3.2238 3.2277 3.2277 3.3775 3.3775 3.3829 3.3829 4.1602 4.1602 4.1632 4.1632 4.9770 4.9770 4.9771 4.9771 5.2682 5.2682 5.2688 5.2688 7.0465 7.0465 7.0812 7.0812 7.2494 7.2494 7.2741 7.2741 7.3553 7.3553 7.4242 7.4242 8.8093 8.8093 8.8136 8.8136 9.0298 9.0298 9.0364 9.0364 13.7470 13.7475 k = 0.5796 0.1628-0.0065 ( 3294 PWs) bands (ev): -12.9860 -12.9860 -12.9858 -12.9858 -11.3635 -11.3635 -11.3629 -11.3629 -11.2423 -11.2423 -11.2417 -11.2417 -0.2923 -0.2923 -0.2905 -0.2905 0.6909 0.6909 0.6926 0.6926 0.8565 0.8565 0.8574 0.8574 1.9180 1.9180 1.9199 1.9199 3.2391 3.2391 3.2425 3.2425 3.3685 3.3685 3.3736 3.3736 4.1404 4.1404 4.1429 4.1429 5.0099 5.0099 5.0100 5.0100 5.2798 5.2798 5.2802 5.2802 7.0606 7.0606 7.0959 7.0959 7.2487 7.2487 7.2728 7.2728 7.3452 7.3452 7.4136 7.4136 8.8205 8.8205 8.8245 8.8245 9.0214 9.0214 9.0276 9.0276 13.7332 13.7337 k = 0.5724 0.1690 0.0080 ( 3292 PWs) bands (ev): -12.9942 -12.9942 -12.9940 -12.9940 -11.3514 -11.3514 -11.3508 -11.3508 -11.2423 -11.2423 -11.2417 -11.2417 -0.2940 -0.2940 -0.2923 -0.2923 0.6886 0.6886 0.6902 0.6902 0.8299 0.8299 0.8308 0.8308 1.9255 1.9255 1.9272 1.9272 3.2532 3.2532 3.2563 3.2563 3.3610 3.3610 3.3656 3.3656 4.1201 4.1201 4.1222 4.1222 5.0421 5.0421 5.0422 5.0422 5.2903 5.2903 5.2906 5.2906 7.0747 7.0747 7.1105 7.1105 7.2476 7.2476 7.2711 7.2711 7.3354 7.3354 7.4030 7.4030 8.8315 8.8315 8.8353 8.8353 9.0132 9.0132 9.0188 9.0188 13.7203 13.7205 k = 0.5652 0.1752 0.0224 ( 3294 PWs) bands (ev): -13.0018 -13.0018 -13.0016 -13.0016 -11.3399 -11.3399 -11.3394 -11.3394 -11.2427 -11.2427 -11.2421 -11.2421 -0.2953 -0.2953 -0.2937 -0.2937 0.6867 0.6867 0.6882 0.6882 0.8050 0.8050 0.8059 0.8059 1.9323 1.9323 1.9340 1.9340 3.2663 3.2663 3.2689 3.2689 3.3547 3.3547 3.3588 3.3588 4.0999 4.0999 4.1015 4.1015 5.0734 5.0734 5.0735 5.0735 5.2994 5.2994 5.2996 5.2996 7.0887 7.0887 7.1249 7.1249 7.2464 7.2464 7.2690 7.2690 7.3260 7.3260 7.3923 7.3923 8.8424 8.8424 8.8459 8.8459 9.0049 9.0049 9.0101 9.0101 13.7083 13.7088 k = 0.5579 0.1813 0.0368 ( 3296 PWs) bands (ev): -13.0085 -13.0085 -13.0084 -13.0084 -11.3290 -11.3290 -11.3286 -11.3286 -11.2434 -11.2434 -11.2429 -11.2429 -0.2962 -0.2962 -0.2947 -0.2947 0.6851 0.6851 0.6864 0.6864 0.7821 0.7821 0.7829 0.7829 1.9386 1.9386 1.9401 1.9401 3.2784 3.2784 3.2805 3.2805 3.3497 3.3497 3.3533 3.3533 4.0801 4.0801 4.0814 4.0814 5.1035 5.1035 5.1036 5.1036 5.3068 5.3068 5.3069 5.3069 7.1026 7.1026 7.1389 7.1389 7.2450 7.2450 7.2664 7.2664 7.3171 7.3171 7.3816 7.3816 8.8531 8.8531 8.8563 8.8563 8.9967 8.9967 9.0013 9.0013 13.6976 13.6978 k = 0.5507 0.1875 0.0512 ( 3298 PWs) bands (ev): -13.0146 -13.0146 -13.0144 -13.0144 -11.3189 -11.3189 -11.3185 -11.3185 -11.2446 -11.2446 -11.2442 -11.2442 -0.2967 -0.2967 -0.2953 -0.2953 0.6838 0.6838 0.6849 0.6849 0.7614 0.7614 0.7621 0.7621 1.9442 1.9442 1.9455 1.9455 3.2893 3.2893 3.2910 3.2910 3.3457 3.3457 3.3488 3.3488 4.0612 4.0612 4.0622 4.0622 5.1322 5.1322 5.1324 5.1324 5.3122 5.3122 5.3122 5.3122 7.1163 7.1163 7.1523 7.1523 7.2435 7.2435 7.2633 7.2633 7.3091 7.3091 7.3709 7.3709 8.8636 8.8636 8.8665 8.8665 8.9886 8.9886 8.9927 8.9927 13.6876 13.6878 k = 0.5434 0.1937 0.0657 ( 3296 PWs) bands (ev): -13.0199 -13.0199 -13.0197 -13.0197 -11.3094 -11.3094 -11.3090 -11.3090 -11.2462 -11.2462 -11.2458 -11.2458 -0.2969 -0.2969 -0.2957 -0.2957 0.6828 0.6828 0.6837 0.6837 0.7429 0.7429 0.7436 0.7436 1.9491 1.9491 1.9502 1.9502 3.2991 3.2991 3.3004 3.3004 3.3426 3.3426 3.3452 3.3452 4.0437 4.0437 4.0445 4.0445 5.1594 5.1594 5.1596 5.1596 5.3154 5.3154 5.3154 5.3154 7.1297 7.1297 7.1650 7.1650 7.2421 7.2421 7.2596 7.2596 7.3022 7.3022 7.3603 7.3603 8.8739 8.8739 8.8764 8.8764 8.9805 8.9805 8.9840 8.9840 13.6789 13.6791 k = 0.5362 0.1999 0.0801 ( 3298 PWs) bands (ev): -13.0243 -13.0243 -13.0242 -13.0242 -11.3006 -11.3006 -11.3003 -11.3003 -11.2482 -11.2482 -11.2479 -11.2479 -0.2969 -0.2969 -0.2959 -0.2959 0.6821 0.6821 0.6828 0.6828 0.7270 0.7270 0.7275 0.7275 1.9532 1.9532 1.9542 1.9542 3.3077 3.3077 3.3087 3.3087 3.3403 3.3403 3.3424 3.3424 4.0280 4.0280 4.0286 4.0286 5.1848 5.1848 5.1850 5.1850 5.3162 5.3162 5.3163 5.3163 7.1427 7.1427 7.1767 7.1767 7.2406 7.2406 7.2551 7.2551 7.2968 7.2968 7.3497 7.3497 8.8840 8.8840 8.8861 8.8861 8.9724 8.9724 8.9754 8.9754 13.6712 13.6713 k = 0.5290 0.2060 0.0945 ( 3308 PWs) bands (ev): -13.0280 -13.0280 -13.0279 -13.0279 -11.2924 -11.2924 -11.2922 -11.2922 -11.2508 -11.2508 -11.2506 -11.2506 -0.2968 -0.2968 -0.2960 -0.2960 0.6817 0.6817 0.6822 0.6822 0.7136 0.7136 0.7140 0.7140 1.9566 1.9566 1.9574 1.9574 3.3151 3.3151 3.3157 3.3157 3.3386 3.3386 3.3401 3.3401 4.0145 4.0145 4.0149 4.0149 5.2083 5.2083 5.2085 5.2085 5.3146 5.3146 5.3147 5.3147 7.1552 7.1552 7.1869 7.1869 7.2391 7.2391 7.2498 7.2498 7.2933 7.2933 7.3393 7.3393 8.8938 8.8938 8.8955 8.8955 8.9643 8.9643 8.9667 8.9667 13.6650 13.6652 k = 0.5217 0.2122 0.1089 ( 3314 PWs) bands (ev): -13.0309 -13.0309 -13.0308 -13.0308 -11.2850 -11.2850 -11.2848 -11.2848 -11.2539 -11.2539 -11.2537 -11.2537 -0.2966 -0.2966 -0.2960 -0.2960 0.6816 0.6816 0.6819 0.6819 0.7029 0.7029 0.7032 0.7032 1.9593 1.9593 1.9599 1.9599 3.3212 3.3212 3.3215 3.3215 3.3372 3.3372 3.3382 3.3382 4.0036 4.0036 4.0039 4.0039 5.2297 5.2297 5.2298 5.2298 5.3105 5.3105 5.3106 5.3106 7.1671 7.1671 7.1949 7.1949 7.2377 7.2377 7.2442 7.2442 7.2923 7.2923 7.3292 7.3292 8.9034 8.9034 8.9046 8.9046 8.9563 8.9563 8.9581 8.9581 13.6602 13.6603 k = 0.5145 0.2184 0.1234 ( 3314 PWs) bands (ev): -13.0330 -13.0330 -13.0329 -13.0329 -11.2782 -11.2782 -11.2781 -11.2781 -11.2575 -11.2575 -11.2574 -11.2574 -0.2964 -0.2964 -0.2960 -0.2960 0.6819 0.6819 0.6820 0.6820 0.6949 0.6949 0.6950 0.6950 1.9613 1.9613 1.9617 1.9617 3.3261 3.3261 3.3262 3.3262 3.3360 3.3360 3.3365 3.3365 3.9956 3.9956 3.9957 3.9957 5.2487 5.2487 5.2487 5.2487 5.3041 5.3041 5.3041 5.3041 7.1782 7.1782 7.1997 7.1997 7.2364 7.2364 7.2390 7.2390 7.2937 7.2937 7.3197 7.3197 8.9127 8.9127 8.9134 8.9134 8.9482 8.9482 8.9495 8.9495 13.6567 13.6568 k = 0.5072 0.2246 0.1378 ( 3330 PWs) bands (ev): -13.0342 -13.0342 -13.0342 -13.0342 -11.2722 -11.2722 -11.2721 -11.2721 -11.2617 -11.2617 -11.2616 -11.2616 -0.2963 -0.2963 -0.2960 -0.2960 0.6827 0.6827 0.6827 0.6827 0.6894 0.6894 0.6894 0.6894 1.9625 1.9625 1.9627 1.9627 3.3298 3.3298 3.3298 3.3298 3.3345 3.3345 3.3347 3.3347 3.9906 3.9906 3.9907 3.9907 5.2646 5.2646 5.2647 5.2647 5.2956 5.2956 5.2956 5.2956 7.1880 7.1880 7.2001 7.2001 7.2350 7.2350 7.2357 7.2357 7.2974 7.2974 7.3109 7.3109 8.9214 8.9214 8.9218 8.9218 8.9403 8.9403 8.9410 8.9410 13.6546 13.6546 k = 0.5000 0.2307 0.1522 ( 3332 PWs) bands (ev): -13.0346 -13.0346 -13.0346 -13.0346 -11.2676 -11.2676 -11.2676 -11.2676 -11.2656 -11.2656 -11.2656 -11.2656 -0.2961 -0.2961 -0.2961 -0.2961 0.6836 0.6836 0.6836 0.6836 0.6869 0.6869 0.6870 0.6870 1.9629 1.9629 1.9629 1.9629 3.3323 3.3323 3.3324 3.3324 3.3326 3.3326 3.3328 3.3328 3.9890 3.9890 3.9890 3.9890 5.2735 5.2735 5.2735 5.2735 5.2893 5.2893 5.2893 5.2893 7.1955 7.1955 7.1961 7.1961 7.2343 7.2343 7.2348 7.2348 7.3030 7.3030 7.3036 7.3036 8.9272 8.9272 8.9277 8.9277 8.9347 8.9347 8.9352 8.9352 13.6539 13.6539 k = 0.5000 0.2307 0.1522 ( 3332 PWs) bands (ev): -13.0346 -13.0346 -13.0346 -13.0346 -11.2676 -11.2676 -11.2676 -11.2676 -11.2656 -11.2656 -11.2656 -11.2656 -0.2961 -0.2961 -0.2961 -0.2961 0.6836 0.6836 0.6836 0.6836 0.6869 0.6869 0.6870 0.6870 1.9629 1.9629 1.9629 1.9629 3.3323 3.3323 3.3324 3.3324 3.3326 3.3326 3.3328 3.3328 3.9890 3.9890 3.9890 3.9890 5.2735 5.2735 5.2735 5.2735 5.2893 5.2893 5.2893 5.2893 7.1955 7.1955 7.1961 7.1961 7.2343 7.2343 7.2348 7.2348 7.3030 7.3030 7.3036 7.3036 8.9272 8.9272 8.9277 8.9277 8.9347 8.9347 8.9352 8.9352 13.6539 13.6539 k = 0.4848 0.2237 0.1476 ( 3332 PWs) bands (ev): -13.0596 -13.0596 -13.0095 -13.0095 -11.2743 -11.2743 -11.2725 -11.2725 -11.2607 -11.2607 -11.2587 -11.2587 -0.3069 -0.3069 -0.2847 -0.2847 0.6788 0.6788 0.6824 0.6824 0.6881 0.6881 0.6912 0.6912 1.8746 1.8746 2.0512 2.0512 3.2968 3.2968 3.2975 3.2975 3.3687 3.3687 3.3687 3.3687 3.9597 3.9597 4.0185 4.0185 5.2465 5.2465 5.2623 5.2623 5.3006 5.3006 5.3163 5.3163 7.1870 7.1870 7.2020 7.2020 7.2241 7.2241 7.2445 7.2445 7.2986 7.2986 7.3097 7.3097 8.8974 8.8974 8.9041 8.9041 8.9578 8.9578 8.9662 8.9662 13.6009 13.6009 k = 0.4697 0.2168 0.1430 ( 3314 PWs) bands (ev): -13.0843 -13.0843 -12.9843 -12.9843 -11.2811 -11.2811 -11.2793 -11.2793 -11.2539 -11.2539 -11.2518 -11.2518 -0.3171 -0.3171 -0.2727 -0.2727 0.6739 0.6739 0.6776 0.6776 0.6923 0.6923 0.6953 0.6953 1.7865 1.7865 2.1392 2.1392 3.2622 3.2622 3.2633 3.2633 3.4054 3.4054 3.4058 3.4058 3.9307 3.9307 4.0483 4.0483 5.2197 5.2197 5.2356 5.2356 5.3277 5.3277 5.3435 5.3435 7.1765 7.1765 7.2049 7.2049 7.2131 7.2131 7.2537 7.2537 7.2966 7.2966 7.3171 7.3171 8.8680 8.8680 8.8738 8.8738 8.9886 8.9886 8.9978 8.9978 13.5491 13.5491 k = 0.4545 0.2098 0.1384 ( 3314 PWs) bands (ev): -13.1087 -13.1087 -12.9590 -12.9590 -11.2878 -11.2878 -11.2861 -11.2861 -11.2471 -11.2471 -11.2449 -11.2449 -0.3267 -0.3267 -0.2601 -0.2601 0.6686 0.6686 0.6725 0.6725 0.6962 0.6962 0.6990 0.6990 1.6988 1.6988 2.2266 2.2266 3.2285 3.2285 3.2298 3.2298 3.4428 3.4428 3.4436 3.4436 3.9018 3.9018 4.0785 4.0785 5.1930 5.1930 5.2089 5.2089 5.3549 5.3549 5.3706 5.3706 7.1648 7.1648 7.2014 7.2014 7.2038 7.2038 7.2623 7.2623 7.2977 7.2977 7.3249 7.3249 8.8391 8.8391 8.8439 8.8439 9.0195 9.0195 9.0295 9.0295 13.4985 13.4985 k = 0.4394 0.2028 0.1338 ( 3311 PWs) bands (ev): -13.1329 -13.1329 -12.9338 -12.9338 -11.2944 -11.2944 -11.2928 -11.2928 -11.2403 -11.2403 -11.2380 -11.2380 -0.3355 -0.3355 -0.2471 -0.2471 0.6632 0.6632 0.6672 0.6672 0.6998 0.6998 0.7025 0.7025 1.6117 1.6117 2.3130 2.3130 3.1957 3.1957 3.1974 3.1974 3.4809 3.4809 3.4820 3.4820 3.8730 3.8730 4.1092 4.1092 5.1666 5.1666 5.1825 5.1825 5.3821 5.3821 5.3977 5.3977 7.1521 7.1521 7.1892 7.1892 7.1990 7.1990 7.2702 7.2702 7.3018 7.3018 7.3327 7.3327 8.8108 8.8108 8.8147 8.8147 9.0506 9.0506 9.0613 9.0613 13.4492 13.4492 k = 0.4242 0.1958 0.1292 ( 3317 PWs) bands (ev): -13.1567 -13.1567 -12.9086 -12.9086 -11.3010 -11.3010 -11.2995 -11.2995 -11.2336 -11.2336 -11.2312 -11.2312 -0.3436 -0.3436 -0.2336 -0.2336 0.6575 0.6575 0.6617 0.6617 0.7032 0.7032 0.7056 0.7056 1.5255 1.5255 2.3983 2.3983 3.1640 3.1640 3.1660 3.1660 3.5194 3.5194 3.5209 3.5209 3.8445 3.8445 4.1406 4.1406 5.1404 5.1404 5.1562 5.1562 5.4092 5.4092 5.4248 5.4248 7.1388 7.1388 7.1764 7.1764 7.1910 7.1910 7.2774 7.2774 7.3081 7.3081 7.3405 7.3405 8.7832 8.7832 8.7861 8.7861 9.0817 9.0817 9.0931 9.0931 13.4013 13.4013 k = 0.4091 0.1888 0.1245 ( 3311 PWs) bands (ev): -13.1800 -13.1800 -12.8835 -12.8835 -11.3075 -11.3075 -11.3060 -11.3060 -11.2269 -11.2269 -11.2244 -11.2244 -0.3509 -0.3509 -0.2198 -0.2198 0.6516 0.6516 0.6561 0.6561 0.7062 0.7062 0.7085 0.7085 1.4403 1.4403 2.4820 2.4820 3.1333 3.1333 3.1356 3.1356 3.5583 3.5583 3.5603 3.5603 3.8161 3.8161 4.1726 4.1726 5.1144 5.1144 5.1303 5.1303 5.4363 5.4363 5.4518 5.4518 7.1249 7.1249 7.1633 7.1633 7.1808 7.1808 7.2839 7.2839 7.3159 7.3159 7.3480 7.3480 8.7565 8.7565 8.7583 8.7583 9.1128 9.1128 9.1249 9.1249 13.3550 13.3550 k = 0.3939 0.1818 0.1199 ( 3314 PWs) bands (ev): -13.2029 -13.2029 -12.8587 -12.8587 -11.3138 -11.3138 -11.3125 -11.3125 -11.2203 -11.2203 -11.2177 -11.2177 -0.3575 -0.3575 -0.2056 -0.2056 0.6456 0.6456 0.6502 0.6502 0.7090 0.7090 0.7110 0.7110 1.3563 1.3563 2.5639 2.5639 3.1037 3.1037 3.1062 3.1062 3.5976 3.5976 3.6001 3.6001 3.7879 3.7879 4.2057 4.2057 5.0887 5.0887 5.1046 5.1046 5.4632 5.4632 5.4787 5.4787 7.1106 7.1106 7.1496 7.1496 7.1691 7.1691 7.2896 7.2896 7.3244 7.3244 7.3552 7.3552 8.7306 8.7306 8.7314 8.7314 9.1437 9.1437 9.1566 9.1566 13.3103 13.3103 k = 0.3788 0.1748 0.1153 ( 3323 PWs) bands (ev): -13.2254 -13.2254 -12.8340 -12.8340 -11.3201 -11.3201 -11.3188 -11.3188 -11.2138 -11.2138 -11.2111 -11.2111 -0.3633 -0.3633 -0.1911 -0.1911 0.6395 0.6395 0.6442 0.6442 0.7115 0.7115 0.7133 0.7133 1.2737 1.2737 2.6434 2.6434 3.0753 3.0753 3.0780 3.0780 3.6372 3.6372 3.6401 3.6401 3.7600 3.7600 4.2398 4.2398 5.0633 5.0633 5.0792 5.0792 5.4900 5.4900 5.5054 5.5054 7.0958 7.0958 7.1355 7.1355 7.1562 7.1562 7.2945 7.2945 7.3330 7.3330 7.3622 7.3622 8.7052 8.7052 8.7055 8.7055 9.1744 9.1744 9.1879 9.1879 13.2673 13.2673 k = 0.3636 0.1678 0.1107 ( 3308 PWs) bands (ev): -13.2472 -13.2472 -12.8097 -12.8097 -11.3262 -11.3262 -11.3250 -11.3250 -11.2074 -11.2074 -11.2046 -11.2046 -0.3683 -0.3683 -0.1764 -0.1764 0.6332 0.6332 0.6382 0.6382 0.7137 0.7137 0.7153 0.7153 1.1926 1.1926 2.7203 2.7203 3.0480 3.0480 3.0510 3.0510 3.6770 3.6770 3.6804 3.6804 3.7324 3.7324 4.2752 4.2752 5.0383 5.0383 5.0541 5.0541 5.5166 5.5166 5.5319 5.5319 7.0808 7.0808 7.1212 7.1212 7.1425 7.1425 7.2989 7.2989 7.3414 7.3414 7.3690 7.3690 8.6801 8.6801 8.6815 8.6815 9.2049 9.2049 9.2190 9.2190 13.2261 13.2261 k = 0.3485 0.1608 0.1061 ( 3308 PWs) bands (ev): -13.2685 -13.2685 -12.7858 -12.7858 -11.3322 -11.3322 -11.3311 -11.3311 -11.2011 -11.2011 -11.1982 -11.1982 -0.3724 -0.3724 -0.1615 -0.1615 0.6269 0.6269 0.6320 0.6320 0.7157 0.7157 0.7170 0.7170 1.1131 1.1131 2.7942 2.7942 3.0218 3.0218 3.0251 3.0251 3.7046 3.7046 3.7174 3.7174 3.7207 3.7207 4.3120 4.3120 5.0136 5.0136 5.0294 5.0294 5.5430 5.5430 5.5582 5.5582 7.0654 7.0654 7.1064 7.1064 7.1281 7.1281 7.3024 7.3024 7.3493 7.3493 7.3758 7.3758 8.6560 8.6560 8.6585 8.6585 9.2349 9.2349 9.2496 9.2496 13.1868 13.1868 k = 0.3333 0.1538 0.1015 ( 3308 PWs) bands (ev): -13.2892 -13.2892 -12.7623 -12.7623 -11.3380 -11.3380 -11.3369 -11.3369 -11.1950 -11.1950 -11.1920 -11.1920 -0.3757 -0.3757 -0.1465 -0.1465 0.6205 0.6205 0.6258 0.6258 0.7174 0.7174 0.7185 0.7185 1.0353 1.0353 2.8647 2.8647 2.9968 2.9968 3.0003 3.0003 3.6781 3.6781 3.7569 3.7569 3.7611 3.7611 4.3505 4.3505 4.9892 4.9892 5.0050 5.0050 5.5691 5.5691 5.5842 5.5842 7.0496 7.0496 7.0913 7.0913 7.1132 7.1132 7.3051 7.3051 7.3562 7.3562 7.3828 7.3828 8.6330 8.6330 8.6365 8.6365 9.2644 9.2644 9.2797 9.2797 13.1493 13.1493 k = 0.3182 0.1468 0.0969 ( 3305 PWs) bands (ev): -13.3092 -13.3092 -12.7393 -12.7393 -11.3436 -11.3436 -11.3426 -11.3426 -11.1890 -11.1890 -11.1859 -11.1859 -0.3781 -0.3781 -0.1315 -0.1315 0.6141 0.6141 0.6195 0.6195 0.7188 0.7188 0.7197 0.7197 0.9595 0.9595 2.9315 2.9315 2.9731 2.9731 2.9768 2.9768 3.6517 3.6517 3.7967 3.7967 3.8015 3.8015 4.3907 4.3907 4.9653 4.9653 4.9810 4.9810 5.5949 5.5949 5.6099 5.6099 7.0334 7.0334 7.0759 7.0759 7.0979 7.0979 7.3072 7.3072 7.3621 7.3621 7.3902 7.3902 8.6110 8.6110 8.6157 8.6157 9.2933 9.2933 9.3092 9.3092 13.1138 13.1138 k = 0.3030 0.1398 0.0923 ( 3305 PWs) bands (ev): -13.3285 -13.3285 -12.7168 -12.7168 -11.3490 -11.3490 -11.3482 -11.3482 -11.1831 -11.1831 -11.1800 -11.1800 -0.3796 -0.3796 -0.1165 -0.1165 0.6076 0.6076 0.6132 0.6132 0.7200 0.7200 0.7207 0.7207 0.8857 0.8857 2.9505 2.9505 2.9544 2.9544 2.9943 2.9943 3.6259 3.6259 3.8364 3.8364 3.8417 3.8417 4.4328 4.4328 4.9416 4.9416 4.9573 4.9573 5.6204 5.6204 5.6352 5.6352 7.0171 7.0171 7.0604 7.0604 7.0824 7.0824 7.3086 7.3086 7.3667 7.3667 7.3978 7.3978 8.5901 8.5901 8.5959 8.5959 9.3216 9.3216 9.3380 9.3380 13.0803 13.0803 k = 0.2879 0.1328 0.0876 ( 3311 PWs) bands (ev): -13.3470 -13.3470 -12.6949 -12.6949 -11.3543 -11.3543 -11.3535 -11.3535 -11.1775 -11.1775 -11.1743 -11.1743 -0.3802 -0.3802 -0.1015 -0.1015 0.6012 0.6012 0.6070 0.6070 0.7210 0.7210 0.7214 0.7214 0.8140 0.8140 2.9291 2.9291 2.9332 2.9332 3.0529 3.0529 3.6007 3.6007 3.8758 3.8758 3.8816 3.8816 4.4767 4.4767 4.9183 4.9183 4.9340 4.9340 5.6455 5.6455 5.6602 5.6602 7.0004 7.0004 7.0447 7.0447 7.0665 7.0665 7.3093 7.3093 7.3702 7.3702 7.4057 7.4057 8.5704 8.5704 8.5773 8.5773 9.3491 9.3491 9.3660 9.3660 13.0488 13.0488 k = 0.2727 0.1259 0.0830 ( 3323 PWs) bands (ev): -13.3649 -13.3649 -12.6738 -12.6738 -11.3593 -11.3593 -11.3586 -11.3586 -11.1720 -11.1720 -11.1687 -11.1687 -0.3799 -0.3799 -0.0868 -0.0868 0.5949 0.5949 0.6008 0.6008 0.7213 0.7213 0.7218 0.7218 0.7451 0.7451 2.9089 2.9089 2.9132 2.9132 3.1072 3.1072 3.5761 3.5761 3.9148 3.9148 3.9212 3.9212 4.5224 4.5224 4.8954 4.8954 4.9110 4.9110 5.6701 5.6701 5.6846 5.6846 6.9834 6.9834 7.0288 7.0288 7.0506 7.0506 7.3094 7.3094 7.3726 7.3726 7.4135 7.4135 8.5518 8.5518 8.5597 8.5597 9.3757 9.3757 9.3931 9.3931 13.0194 13.0194 k = 0.2576 0.1189 0.0784 ( 3320 PWs) bands (ev): -13.3819 -13.3819 -12.6534 -12.6534 -11.3642 -11.3642 -11.3635 -11.3635 -11.1668 -11.1668 -11.1634 -11.1634 -0.3787 -0.3787 -0.0722 -0.0722 0.5887 0.5887 0.5947 0.5947 0.6766 0.6766 0.7225 0.7225 0.7230 0.7230 2.8898 2.8898 2.8943 2.8943 3.1570 3.1570 3.5524 3.5524 3.9534 3.9534 3.9604 3.9604 4.5699 4.5699 4.8728 4.8728 4.8883 4.8883 5.6942 5.6942 5.7086 5.7086 6.9665 6.9665 7.0129 7.0129 7.0345 7.0345 7.3089 7.3089 7.3742 7.3742 7.4214 7.4214 8.5344 8.5344 8.5434 8.5434 9.4014 9.4014 9.4193 9.4193 12.9921 12.9921 k = 0.2424 0.1119 0.0738 ( 3314 PWs) bands (ev): -13.3981 -13.3981 -12.6338 -12.6338 -11.3688 -11.3688 -11.3682 -11.3682 -11.1617 -11.1617 -11.1583 -11.1583 -0.3765 -0.3765 -0.0580 -0.0580 0.5826 0.5826 0.5886 0.5886 0.6120 0.6120 0.7229 0.7229 0.7230 0.7230 2.8720 2.8720 2.8767 2.8767 3.2023 3.2023 3.5295 3.5295 3.9916 3.9916 3.9991 3.9991 4.6187 4.6187 4.8506 4.8506 4.8660 4.8660 5.7178 5.7178 5.7321 5.7321 6.9494 6.9494 6.9970 6.9970 7.0184 7.0184 7.3080 7.3080 7.3751 7.3751 7.4291 7.4291 8.5183 8.5183 8.5283 8.5283 9.4261 9.4261 9.4444 9.4444 12.9668 12.9668 k = 0.2273 0.1049 0.0692 ( 3296 PWs) bands (ev): -13.4134 -13.4134 -12.6150 -12.6150 -11.3732 -11.3732 -11.3726 -11.3726 -11.1570 -11.1570 -11.1535 -11.1535 -0.3734 -0.3734 -0.0442 -0.0442 0.5492 0.5492 0.5767 0.5767 0.5832 0.5832 0.7231 0.7231 0.7233 0.7233 2.8554 2.8554 2.8602 2.8602 3.2432 3.2432 3.5075 3.5075 4.0291 4.0291 4.0372 4.0372 4.6688 4.6688 4.8286 4.8286 4.8440 4.8440 5.7408 5.7408 5.7549 5.7549 6.9320 6.9320 6.9812 6.9812 7.0025 7.0025 7.3066 7.3066 7.3754 7.3754 7.4369 7.4369 8.5034 8.5034 8.5143 8.5143 9.4497 9.4497 9.4685 9.4685 12.9437 12.9437 k = 0.2121 0.0979 0.0646 ( 3299 PWs) bands (ev): -13.4279 -13.4279 -12.5972 -12.5972 -11.3773 -11.3773 -11.3768 -11.3768 -11.1524 -11.1524 -11.1488 -11.1488 -0.3692 -0.3692 -0.0308 -0.0308 0.4893 0.4893 0.5709 0.5709 0.5776 0.5776 0.7230 0.7230 0.7235 0.7235 2.8399 2.8399 2.8448 2.8448 3.2799 3.2799 3.4865 3.4865 4.0660 4.0660 4.0746 4.0746 4.7196 4.7196 4.8069 4.8069 4.8221 4.8221 5.7631 5.7631 5.7770 5.7770 6.9146 6.9146 6.9655 6.9655 6.9866 6.9866 7.3048 7.3048 7.3751 7.3751 7.4440 7.4440 8.4895 8.4895 8.5014 8.5014 9.4722 9.4722 9.4914 9.4914 12.9228 12.9228 k = 0.1970 0.0909 0.0600 ( 3293 PWs) bands (ev): -13.4415 -13.4415 -12.5803 -12.5803 -11.3812 -11.3812 -11.3808 -11.3808 -11.1481 -11.1481 -11.1445 -11.1445 -0.3641 -0.3641 -0.0179 -0.0179 0.4319 0.4319 0.5654 0.5654 0.5722 0.5722 0.7229 0.7229 0.7235 0.7235 2.8255 2.8255 2.8306 2.8306 3.3125 3.3125 3.4666 3.4666 4.1021 4.1021 4.1113 4.1113 4.7706 4.7706 4.7856 4.7856 4.8006 4.8006 5.7846 5.7846 5.7984 5.7984 6.8973 6.8973 6.9501 6.9501 6.9710 6.9710 7.3027 7.3027 7.3742 7.3742 7.4508 7.4508 8.4769 8.4769 8.4897 8.4897 9.4934 9.4934 9.5130 9.5130 12.9040 12.9040 k = 0.1818 0.0839 0.0554 ( 3296 PWs) bands (ev): -13.4541 -13.4541 -12.5644 -12.5644 -11.3848 -11.3848 -11.3845 -11.3845 -11.1441 -11.1441 -11.1404 -11.1404 -0.3581 -0.3581 -0.0056 -0.0056 0.3771 0.3771 0.5602 0.5602 0.5671 0.5671 0.7227 0.7227 0.7236 0.7236 2.8123 2.8123 2.8176 2.8176 3.3412 3.3412 3.4479 3.4479 4.1374 4.1374 4.1473 4.1473 4.7641 4.7641 4.7791 4.7791 4.8218 4.8218 5.8053 5.8053 5.8189 5.8189 6.8800 6.8800 6.9350 6.9350 6.9558 6.9558 7.3002 7.3002 7.3730 7.3730 7.4573 7.4573 8.4653 8.4653 8.4789 8.4789 9.5134 9.5134 9.5333 9.5333 12.8874 12.8874 k = 0.1667 0.0769 0.0507 ( 3296 PWs) bands (ev): -13.4659 -13.4659 -12.5497 -12.5497 -11.3882 -11.3882 -11.3879 -11.3879 -11.1404 -11.1404 -11.1366 -11.1366 -0.3510 -0.3510 0.0059 0.0059 0.3250 0.3250 0.5552 0.5552 0.5623 0.5623 0.7225 0.7225 0.7235 0.7235 2.8002 2.8002 2.8056 2.8056 3.3664 3.3664 3.4304 3.4304 4.1719 4.1719 4.1824 4.1824 4.7430 4.7430 4.7578 4.7578 4.8719 4.8719 5.8250 5.8250 5.8384 5.8384 6.8630 6.8630 6.9203 6.9203 6.9411 6.9411 7.2976 7.2976 7.3715 7.3715 7.4633 7.4633 8.4549 8.4549 8.4692 8.4692 9.5320 9.5320 9.5523 9.5523 12.8730 12.8730 k = 0.1515 0.0699 0.0461 ( 3290 PWs) bands (ev): -13.4766 -13.4766 -12.5360 -12.5360 -11.3913 -11.3913 -11.3910 -11.3910 -11.1369 -11.1369 -11.1332 -11.1332 -0.3430 -0.3430 0.0168 0.0168 0.2757 0.2757 0.5506 0.5506 0.5578 0.5578 0.7222 0.7222 0.7234 0.7234 2.7892 2.7892 2.7947 2.7947 3.3882 3.3882 3.4141 3.4141 4.2055 4.2055 4.2166 4.2166 4.7220 4.7220 4.7366 4.7366 4.9207 4.9207 5.8436 5.8436 5.8569 5.8569 6.8463 6.8463 6.9063 6.9063 6.9270 6.9270 7.2950 7.2950 7.3699 7.3699 7.4689 7.4689 8.4455 8.4455 8.4605 8.4605 9.5492 9.5492 9.5698 9.5698 12.8609 12.8609 k = 0.1364 0.0629 0.0415 ( 3293 PWs) bands (ev): -13.4864 -13.4864 -12.5235 -12.5235 -11.3941 -11.3941 -11.3939 -11.3939 -11.1338 -11.1338 -11.1300 -11.1300 -0.3340 -0.3340 0.0268 0.0268 0.2292 0.2292 0.5464 0.5464 0.5536 0.5536 0.7218 0.7218 0.7232 0.7232 2.7794 2.7794 2.7849 2.7849 3.3992 3.3992 3.4071 3.4071 4.2382 4.2382 4.2499 4.2499 4.7010 4.7010 4.7154 4.7154 4.9675 4.9675 5.8611 5.8611 5.8742 5.8742 6.8301 6.8301 6.8930 6.8930 6.9135 6.9135 7.2923 7.2923 7.3680 7.3680 7.4740 7.4740 8.4372 8.4372 8.4527 8.4527 9.5649 9.5649 9.5858 9.5858 12.8512 12.8512 k = 0.1212 0.0559 0.0369 ( 3299 PWs) bands (ev): -13.4952 -13.4952 -12.5122 -12.5122 -11.3967 -11.3967 -11.3965 -11.3965 -11.1309 -11.1309 -11.1271 -11.1271 -0.3242 -0.3242 0.0360 0.0360 0.1856 0.1856 0.5425 0.5425 0.5498 0.5498 0.7215 0.7215 0.7230 0.7230 2.7705 2.7705 2.7762 2.7762 3.3857 3.3857 3.4232 3.4232 4.2698 4.2698 4.2822 4.2822 4.6800 4.6800 4.6941 4.6941 5.0116 5.0116 5.8772 5.8772 5.8903 5.8903 6.8146 6.8146 6.8804 6.8804 6.9009 6.9009 7.2896 7.2896 7.3661 7.3661 7.4785 7.4785 8.4298 8.4298 8.4459 8.4459 9.5790 9.5790 9.6002 9.6002 12.8438 12.8439 k = 0.1061 0.0489 0.0323 ( 3299 PWs) bands (ev): -13.5030 -13.5030 -12.5021 -12.5021 -11.3989 -11.3989 -11.3987 -11.3987 -11.1284 -11.1284 -11.1245 -11.1245 -0.3136 -0.3136 0.0442 0.0442 0.1452 0.1452 0.5390 0.5390 0.5464 0.5464 0.7212 0.7212 0.7228 0.7228 2.7628 2.7628 2.7685 2.7685 3.3737 3.3737 3.4367 3.4367 4.3005 4.3005 4.3135 4.3135 4.6590 4.6590 4.6728 4.6728 5.0525 5.0525 5.8919 5.8919 5.9048 5.9048 6.8001 6.8001 6.8689 6.8689 6.8893 6.8893 7.2871 7.2871 7.3643 7.3643 7.4826 7.4826 8.4234 8.4234 8.4400 8.4400 9.5917 9.5917 9.6130 9.6130 12.8390 12.8390 k = 0.0909 0.0420 0.0277 ( 3305 PWs) bands (ev): -13.5098 -13.5098 -12.4933 -12.4933 -11.4009 -11.4009 -11.4007 -11.4007 -11.1262 -11.1262 -11.1223 -11.1223 -0.3024 -0.3024 0.0514 0.0514 0.1082 0.1082 0.5359 0.5359 0.5434 0.5434 0.7209 0.7209 0.7226 0.7226 2.7561 2.7561 2.7619 2.7619 3.3632 3.3632 3.4480 3.4480 4.3301 4.3301 4.3438 4.3438 4.6379 4.6379 4.6513 4.6513 5.0895 5.0895 5.9050 5.9050 5.9178 5.9178 6.7866 6.7866 6.8585 6.8585 6.8789 6.8789 7.2848 7.2848 7.3625 7.3625 7.4862 7.4862 8.4180 8.4180 8.4350 8.4350 9.6027 9.6027 9.6243 9.6243 12.8367 12.8367 k = 0.0758 0.0350 0.0231 ( 3299 PWs) bands (ev): -13.5155 -13.5155 -12.4858 -12.4858 -11.4025 -11.4025 -11.4024 -11.4024 -11.1243 -11.1243 -11.1204 -11.1204 -0.2910 -0.2910 0.0577 0.0577 0.0747 0.0747 0.5332 0.5332 0.5409 0.5409 0.7206 0.7206 0.7224 0.7224 2.7505 2.7505 2.7564 2.7564 3.3542 3.3542 3.4572 3.4572 4.3586 4.3586 4.3731 4.3731 4.6167 4.6167 4.6296 4.6296 5.1220 5.1220 5.9163 5.9163 5.9292 5.9292 6.7748 6.7748 6.8495 6.8495 6.8698 6.8698 7.2828 7.2828 7.3610 7.3610 7.4892 7.4892 8.4134 8.4134 8.4308 8.4308 9.6121 9.6121 9.6338 9.6338 12.8370 12.8370 k = 0.0606 0.0280 0.0185 ( 3305 PWs) bands (ev): -13.5203 -13.5203 -12.4797 -12.4797 -11.4039 -11.4039 -11.4038 -11.4038 -11.1228 -11.1228 -11.1189 -11.1189 -0.2796 -0.2796 0.0454 0.0454 0.0628 0.0628 0.5310 0.5310 0.5387 0.5387 0.7203 0.7203 0.7223 0.7223 2.7459 2.7459 2.7518 2.7518 3.3468 3.3468 3.4645 3.4645 4.3858 4.3858 4.4013 4.4013 4.5956 4.5956 4.6078 4.6078 5.1495 5.1495 5.9259 5.9259 5.9386 5.9386 6.7646 6.7646 6.8418 6.8418 6.8622 6.8622 7.2810 7.2810 7.3596 7.3596 7.4917 7.4917 8.4097 8.4097 8.4273 8.4273 9.6198 9.6198 9.6417 9.6417 12.8401 12.8401 k = 0.0455 0.0210 0.0138 ( 3308 PWs) bands (ev): -13.5239 -13.5239 -12.4749 -12.4749 -11.4050 -11.4050 -11.4049 -11.4049 -11.1216 -11.1216 -11.1176 -11.1176 -0.2691 -0.2691 0.0208 0.0208 0.0668 0.0668 0.5293 0.5293 0.5370 0.5370 0.7201 0.7201 0.7221 0.7221 2.7423 2.7423 2.7483 2.7483 3.3410 3.3410 3.4700 3.4700 4.4115 4.4115 4.4282 4.4282 4.5747 4.5747 4.5858 4.5858 5.1715 5.1715 5.9334 5.9334 5.9461 5.9461 6.7563 6.7563 6.8357 6.8357 6.8561 6.8561 7.2795 7.2795 7.3584 7.3584 7.4937 7.4937 8.4068 8.4068 8.4247 8.4247 9.6258 9.6258 9.6478 9.6478 12.8459 12.8459 k = 0.0303 0.0140 0.0092 ( 3316 PWs) bands (ev): -13.5266 -13.5266 -12.4714 -12.4714 -11.4057 -11.4057 -11.4057 -11.4057 -11.1208 -11.1208 -11.1168 -11.1168 -0.2604 -0.2604 0.0020 0.0020 0.0697 0.0697 0.5281 0.5281 0.5358 0.5358 0.7200 0.7200 0.7220 0.7220 2.7398 2.7398 2.7458 2.7458 3.3369 3.3369 3.4739 3.4739 4.4349 4.4349 4.4534 4.4534 4.5546 4.5546 4.5641 4.5641 5.1875 5.1875 5.9389 5.9389 5.9516 5.9516 6.7503 6.7503 6.8312 6.8312 6.8516 6.8516 7.2785 7.2785 7.3576 7.3576 7.4950 7.4950 8.4048 8.4048 8.4228 8.4228 9.6301 9.6301 9.6522 9.6522 12.8541 12.8541 k = 0.0152 0.0070 0.0046 ( 3316 PWs) bands (ev): -13.5282 -13.5282 -12.4693 -12.4693 -11.4062 -11.4062 -11.4061 -11.4061 -11.1202 -11.1202 -11.1162 -11.1162 -0.2544 -0.2544 -0.0100 -0.0100 0.0715 0.0715 0.5273 0.5273 0.5351 0.5351 0.7199 0.7199 0.7220 0.7220 2.7383 2.7383 2.7443 2.7443 3.3344 3.3344 3.4762 3.4762 4.4540 4.4540 4.4754 4.4754 4.5376 4.5376 4.5443 4.5443 5.1972 5.1972 5.9422 5.9422 5.9549 5.9549 6.7465 6.7465 6.8285 6.8285 6.8489 6.8489 7.2779 7.2779 7.3571 7.3571 7.4959 7.4959 8.4035 8.4035 8.4217 8.4217 9.6326 9.6326 9.6548 9.6548 12.8634 12.8634 k = 0.0000 0.0000 0.0000 ( 3319 PWs) bands (ev): -13.5287 -13.5287 -12.4686 -12.4686 -11.4063 -11.4063 -11.4063 -11.4063 -11.1201 -11.1201 -11.1161 -11.1161 -0.2523 -0.2523 -0.0141 -0.0141 0.0720 0.0720 0.5271 0.5271 0.5349 0.5349 0.7199 0.7199 0.7220 0.7220 2.7378 2.7378 2.7438 2.7438 3.3336 3.3336 3.4769 3.4769 4.4624 4.4624 4.4865 4.4865 4.5299 4.5299 4.5339 4.5339 5.2004 5.2004 5.9433 5.9433 5.9560 5.9560 6.7452 6.7452 6.8276 6.8276 6.8480 6.8480 7.2777 7.2777 7.3569 7.3569 7.4963 7.4963 8.4031 8.4031 8.4213 8.4213 9.6335 9.6335 9.6556 9.6556 12.8686 12.8686 k = 0.0000 0.0000 0.0000 ( 3319 PWs) bands (ev): -13.5287 -13.5287 -12.4686 -12.4686 -11.4063 -11.4063 -11.4063 -11.4063 -11.1201 -11.1201 -11.1161 -11.1161 -0.2523 -0.2523 -0.0141 -0.0141 0.0720 0.0720 0.5271 0.5271 0.5349 0.5349 0.7199 0.7199 0.7220 0.7220 2.7378 2.7378 2.7438 2.7438 3.3336 3.3336 3.4769 3.4769 4.4624 4.4624 4.4865 4.4865 4.5299 4.5299 4.5339 4.5339 5.2004 5.2004 5.9433 5.9433 5.9560 5.9560 6.7452 6.7452 6.8276 6.8276 6.8480 6.8480 7.2777 7.2777 7.3569 7.3569 7.4963 7.4963 8.4031 8.4031 8.4213 8.4213 9.6335 9.6335 9.6556 9.6556 12.8686 12.8686 k = 0.0073-0.0062-0.0146 ( 3315 PWs) bands (ev): -13.5281 -13.5281 -12.4686 -12.4686 -11.4065 -11.4065 -11.4064 -11.4064 -11.1205 -11.1205 -11.1165 -11.1165 -0.2528 -0.2528 -0.0130 -0.0130 0.0716 0.0716 0.5282 0.5282 0.5362 0.5362 0.7193 0.7193 0.7233 0.7233 2.7367 2.7367 2.7433 2.7433 3.3360 3.3360 3.4773 3.4773 4.4591 4.4591 4.4823 4.4823 4.5323 4.5323 4.5363 4.5363 5.2007 5.2007 5.9411 5.9411 5.9539 5.9539 6.7463 6.7463 6.8280 6.8280 6.8485 6.8485 7.2775 7.2775 7.3568 7.3568 7.4962 7.4962 8.4031 8.4031 8.4212 8.4212 9.6327 9.6327 9.6549 9.6549 12.8703 12.8703 k = 0.0146-0.0125-0.0292 ( 3309 PWs) bands (ev): -13.5262 -13.5262 -12.4685 -12.4685 -11.4071 -11.4071 -11.4066 -11.4066 -11.1218 -11.1218 -11.1177 -11.1177 -0.2544 -0.2544 -0.0099 -0.0099 0.0701 0.0701 0.5307 0.5307 0.5409 0.5409 0.7154 0.7154 0.7293 0.7293 2.7318 2.7318 2.7439 2.7439 3.3433 3.3433 3.4785 3.4785 4.4497 4.4497 4.4718 4.4718 4.5351 4.5351 4.5447 4.5447 5.2013 5.2013 5.9334 5.9334 5.9488 5.9488 6.7493 6.7493 6.8293 6.8293 6.8499 6.8499 7.2772 7.2772 7.3564 7.3564 7.4962 7.4962 8.4030 8.4030 8.4211 8.4211 9.6304 9.6304 9.6525 9.6525 12.8754 12.8754 k = 0.0220-0.0187-0.0438 ( 3313 PWs) bands (ev): -13.5232 -13.5232 -12.4683 -12.4683 -11.4080 -11.4080 -11.4071 -11.4071 -11.1242 -11.1242 -11.1195 -11.1195 -0.2570 -0.2570 -0.0046 -0.0046 0.0677 0.0677 0.5334 0.5334 0.5502 0.5502 0.7087 0.7087 0.7395 0.7395 2.7222 2.7222 2.7463 2.7463 3.3554 3.3554 3.4804 3.4804 4.4350 4.4350 4.4583 4.4583 4.5365 4.5365 4.5573 4.5573 5.2024 5.2024 5.9189 5.9189 5.9424 5.9424 6.7541 6.7541 6.8314 6.8314 6.8523 6.8523 7.2765 7.2765 7.3558 7.3558 7.4963 7.4963 8.4026 8.4026 8.4210 8.4210 9.6264 9.6264 9.6486 9.6486 12.8839 12.8839 k = 0.0293-0.0250-0.0583 ( 3319 PWs) bands (ev): -13.5189 -13.5189 -12.4680 -12.4680 -11.4093 -11.4093 -11.4077 -11.4077 -11.1277 -11.1277 -11.1218 -11.1218 -0.2604 -0.2604 0.0028 0.0028 0.0646 0.0646 0.5364 0.5364 0.5638 0.5638 0.6995 0.6995 0.7535 0.7535 2.7087 2.7087 2.7502 2.7502 3.3721 3.3721 3.4828 3.4828 4.4152 4.4152 4.4434 4.4434 4.5361 4.5361 4.5722 4.5722 5.2039 5.2039 5.8979 5.8979 5.9349 5.9349 6.7603 6.7603 6.8343 6.8343 6.8556 6.8556 7.2756 7.2756 7.3549 7.3549 7.4963 7.4963 8.4021 8.4021 8.4209 8.4209 9.6208 9.6208 9.6432 9.6432 12.8957 12.8957 k = 0.0366-0.0312-0.0729 ( 3325 PWs) bands (ev): -13.5134 -13.5134 -12.4677 -12.4677 -11.4109 -11.4109 -11.4085 -11.4085 -11.1325 -11.1325 -11.1245 -11.1245 -0.2644 -0.2644 0.0123 0.0123 0.0608 0.0608 0.5398 0.5398 0.5814 0.5814 0.6882 0.6882 0.7710 0.7710 2.6920 2.6920 2.7552 2.7552 3.3929 3.3929 3.4857 3.4857 4.3906 4.3906 4.4277 4.4277 4.5333 4.5333 4.5889 4.5889 5.2059 5.2059 5.8713 5.8713 5.9259 5.9259 6.7676 6.7676 6.8380 6.8380 6.8597 6.8597 7.2744 7.2744 7.3537 7.3537 7.4963 7.4963 8.4012 8.4012 8.4212 8.4212 9.6136 9.6136 9.6365 9.6365 12.9105 12.9106 k = 0.0439-0.0375-0.0875 ( 3323 PWs) bands (ev): -13.5068 -13.5068 -12.4674 -12.4674 -11.4129 -11.4129 -11.4094 -11.4094 -11.1384 -11.1384 -11.1277 -11.1277 -0.2689 -0.2689 0.0239 0.0239 0.0566 0.0566 0.5437 0.5437 0.6028 0.6028 0.6749 0.6749 0.7916 0.7916 2.6723 2.6723 2.7614 2.7614 3.4174 3.4174 3.4892 3.4892 4.3617 4.3617 4.4111 4.4111 4.5281 4.5281 4.6072 4.6072 5.2084 5.2084 5.8400 5.8400 5.9155 5.9155 6.7757 6.7757 6.8426 6.8426 6.8647 6.8647 7.2730 7.2730 7.3523 7.3523 7.4963 7.4963 8.4000 8.4000 8.4219 8.4219 9.6046 9.6046 9.6287 9.6287 12.9284 12.9284 k = 0.0513-0.0437-0.1021 ( 3319 PWs) bands (ev): -13.4989 -13.4989 -12.4670 -12.4670 -11.4151 -11.4151 -11.4106 -11.4106 -11.1453 -11.1453 -11.1314 -11.1314 -0.2737 -0.2737 0.0375 0.0375 0.0522 0.0522 0.5478 0.5478 0.6276 0.6276 0.6603 0.6603 0.8150 0.8150 2.6503 2.6503 2.7687 2.7687 3.4440 3.4440 3.4941 3.4941 4.3287 4.3287 4.3933 4.3933 4.5205 4.5205 4.6268 4.6268 5.2114 5.2114 5.8045 5.8045 5.9036 5.9036 6.7842 6.7842 6.8480 6.8480 6.8706 6.8706 7.2713 7.2713 7.3506 7.3506 7.4962 7.4962 8.3984 8.3984 8.4233 8.4233 9.5939 9.5939 9.6201 9.6201 12.9491 12.9491 k = 0.0586-0.0500-0.1167 ( 3317 PWs) bands (ev): -13.4899 -13.4899 -12.4666 -12.4666 -11.4176 -11.4176 -11.4120 -11.4120 -11.1534 -11.1534 -11.1355 -11.1355 -0.2784 -0.2784 0.0477 0.0477 0.0531 0.0531 0.5518 0.5518 0.6444 0.6444 0.6561 0.6561 0.8409 0.8409 2.6262 2.6262 2.7770 2.7770 3.4677 3.4677 3.5051 3.5051 4.2919 4.2919 4.3742 4.3742 4.5103 4.5103 4.6473 4.6473 5.2149 5.2149 5.7657 5.7657 5.8905 5.8905 6.7926 6.7926 6.8542 6.8542 6.8771 6.8771 7.2693 7.2693 7.3486 7.3486 7.4960 7.4960 8.3963 8.3963 8.4256 8.4256 9.5814 9.5814 9.6107 9.6107 12.9723 12.9723 k = 0.0659-0.0562-0.1313 ( 3317 PWs) bands (ev): -13.4797 -13.4797 -12.4663 -12.4663 -11.4203 -11.4203 -11.4136 -11.4136 -11.1624 -11.1624 -11.1401 -11.1401 -0.2831 -0.2831 0.0432 0.0432 0.0708 0.0708 0.5550 0.5550 0.6294 0.6294 0.6870 0.6870 0.8689 0.8689 2.6007 2.6007 2.7862 2.7862 3.4796 3.4796 3.5302 3.5302 4.2513 4.2513 4.3538 4.3538 4.4978 4.4978 4.6684 4.6684 5.2189 5.2189 5.7241 5.7241 5.8762 5.8762 6.8008 6.8008 6.8611 6.8611 6.8843 6.8843 7.2671 7.2671 7.3463 7.3463 7.4957 7.4957 8.3938 8.3938 8.4289 8.4289 9.5671 9.5671 9.6009 9.6009 12.9978 12.9978 k = 0.0732-0.0624-0.1459 ( 3309 PWs) bands (ev): -13.4683 -13.4683 -12.4660 -12.4660 -11.4232 -11.4232 -11.4154 -11.4154 -11.1724 -11.1724 -11.1452 -11.1452 -0.2873 -0.2873 0.0391 0.0391 0.0904 0.0904 0.5555 0.5555 0.6164 0.6164 0.7209 0.7209 0.8987 0.8987 2.5740 2.5740 2.7965 2.7965 3.4833 3.4833 3.5656 3.5656 4.2070 4.2070 4.3319 4.3319 4.4829 4.4829 4.6899 4.6899 5.2236 5.2236 5.6802 5.6802 5.8610 5.8610 6.8086 6.8086 6.8686 6.8686 6.8922 6.8922 7.2647 7.2647 7.3437 7.3437 7.4952 7.4952 8.3909 8.3909 8.4332 8.4332 9.5510 9.5510 9.5908 9.5908 13.0254 13.0254 k = 0.0805-0.0687-0.1605 ( 3309 PWs) bands (ev): -13.4558 -13.4558 -12.4657 -12.4657 -11.4262 -11.4262 -11.4174 -11.4174 -11.1833 -11.1833 -11.1507 -11.1507 -0.2911 -0.2911 0.0354 0.0354 0.1118 0.1118 0.5505 0.5505 0.6089 0.6089 0.7574 0.7574 0.9299 0.9299 2.5466 2.5466 2.8075 2.8075 3.4839 3.4839 3.6054 3.6054 4.1591 4.1591 4.3088 4.3088 4.4660 4.4660 4.7113 4.7113 5.2289 5.2289 5.6347 5.6347 5.8451 5.8451 6.8159 6.8159 6.8764 6.8764 6.9008 6.9008 7.2620 7.2620 7.3408 7.3408 7.4946 7.4946 8.3877 8.3877 8.4387 8.4387 9.5332 9.5332 9.5805 9.5805 13.0548 13.0548 k = 0.0879-0.0749-0.1750 ( 3307 PWs) bands (ev): -13.4422 -13.4422 -12.4656 -12.4656 -11.4293 -11.4293 -11.4197 -11.4197 -11.1951 -11.1951 -11.1566 -11.1566 -0.2943 -0.2943 0.0322 0.0322 0.1351 0.1351 0.5390 0.5390 0.6082 0.6082 0.7962 0.7962 0.9623 0.9623 2.5188 2.5188 2.8194 2.8194 3.4828 3.4828 3.6476 3.6476 4.1075 4.1075 4.2845 4.2845 4.4472 4.4472 4.7321 4.7321 5.2349 5.2349 5.5880 5.5880 5.8285 5.8285 6.8228 6.8228 6.8843 6.8843 6.9101 6.9101 7.2591 7.2591 7.3377 7.3377 7.4938 7.4938 8.3842 8.3842 8.4455 8.4455 9.5139 9.5139 9.5700 9.5700 13.0858 13.0858 k = 0.0952-0.0812-0.1896 ( 3305 PWs) bands (ev): -13.4276 -13.4276 -12.4657 -12.4657 -11.4325 -11.4325 -11.4222 -11.4222 -11.2077 -11.2077 -11.1629 -11.1629 -0.2967 -0.2967 0.0297 0.0297 0.1601 0.1601 0.5231 0.5231 0.6124 0.6124 0.8372 0.8372 0.9956 0.9956 2.4909 2.4909 2.8320 2.8320 3.4804 3.4804 3.6912 3.6912 4.0524 4.0524 4.2593 4.2593 4.4266 4.4266 4.7520 4.7520 5.2415 5.2415 5.5406 5.5406 5.8115 5.8115 6.8291 6.8291 6.8920 6.8920 6.9201 6.9201 7.2560 7.2560 7.3344 7.3344 7.4927 7.4927 8.3805 8.3805 8.4536 8.4536 9.4930 9.4930 9.5596 9.5596 13.1182 13.1182 k = 0.1025-0.0874-0.2042 ( 3301 PWs) bands (ev): -13.4119 -13.4119 -12.4659 -12.4659 -11.4356 -11.4356 -11.4251 -11.4251 -11.2211 -11.2211 -11.1695 -11.1695 -0.2983 -0.2983 0.0279 0.0279 0.1866 0.1866 0.5056 0.5056 0.6193 0.6193 0.8801 0.8801 1.0294 1.0294 2.4633 2.4633 2.8452 2.8452 3.4768 3.4768 3.7352 3.7352 3.9939 3.9939 4.2335 4.2335 4.4046 4.4046 4.7706 4.7706 5.2489 5.2489 5.4928 5.4928 5.7944 5.7944 6.8351 6.8351 6.8993 6.8993 6.9308 6.9308 7.2528 7.2528 7.3310 7.3310 7.4916 7.4916 8.3767 8.3767 8.4632 8.4632 9.4707 9.4707 9.5493 9.5493 13.1515 13.1515 k = 0.1098-0.0937-0.2188 ( 3301 PWs) bands (ev): -13.3951 -13.3951 -12.4663 -12.4663 -11.4386 -11.4386 -11.4282 -11.4282 -11.2353 -11.2353 -11.1765 -11.1765 -0.2989 -0.2989 0.0269 0.0269 0.2142 0.2142 0.4880 0.4880 0.6275 0.6275 0.9246 0.9246 1.0635 1.0635 2.4363 2.4363 2.8589 2.8589 3.4722 3.4722 3.7785 3.7785 3.9321 3.9321 4.2080 4.2080 4.3813 4.3813 4.7875 4.7875 5.2569 5.2569 5.4452 5.4452 5.7771 5.7771 6.8408 6.8408 6.9061 6.9061 6.9421 6.9421 7.2494 7.2494 7.3274 7.3274 7.4903 7.4903 8.3729 8.3729 8.4743 8.4743 9.4471 9.4471 9.5391 9.5391 13.1856 13.1856 k = 0.1172-0.0999-0.2334 ( 3307 PWs) bands (ev): -13.3774 -13.3774 -12.4670 -12.4670 -11.4415 -11.4415 -11.4316 -11.4316 -11.2501 -11.2501 -11.1838 -11.1838 -0.2985 -0.2985 0.0268 0.0268 0.2424 0.2424 0.4716 0.4716 0.6367 0.6367 0.9706 0.9706 1.0977 1.0977 2.4100 2.4100 2.8730 2.8730 3.4665 3.4665 3.8192 3.8192 3.8677 3.8677 4.1837 4.1837 4.3570 4.3570 4.8023 4.8023 5.2657 5.2657 5.3978 5.3978 5.7600 5.7600 6.8461 6.8461 6.9123 6.9123 6.9539 6.9539 7.2457 7.2457 7.3236 7.3236 7.4889 7.4889 8.3690 8.3690 8.4870 8.4870 9.4222 9.4222 9.5291 9.5291 13.2203 13.2203 k = 0.1245-0.1062-0.2480 ( 3311 PWs) bands (ev): -13.3587 -13.3587 -12.4681 -12.4681 -11.4443 -11.4443 -11.4354 -11.4354 -11.2655 -11.2655 -11.1913 -11.1913 -0.2971 -0.2971 0.0275 0.0275 0.2702 0.2702 0.4580 0.4580 0.6464 0.6464 1.0178 1.0178 1.1316 1.1316 2.3847 2.3847 2.8874 2.8874 3.4599 3.4599 3.7984 3.7984 3.8574 3.8574 4.1627 4.1627 4.3320 4.3320 4.8149 4.8149 5.2750 5.2750 5.3512 5.3512 5.7432 5.7432 6.8511 6.8511 6.9181 6.9181 6.9661 6.9661 7.2418 7.2418 7.3196 7.3196 7.4878 7.4878 8.3651 8.3651 8.5013 8.5013 9.3963 9.3963 9.5195 9.5195 13.2553 13.2553 k = 0.1318-0.1124-0.2626 ( 3307 PWs) bands (ev): -13.3390 -13.3390 -12.4694 -12.4694 -11.4468 -11.4468 -11.4395 -11.4395 -11.2815 -11.2815 -11.1990 -11.1990 -0.2946 -0.2946 0.0291 0.0291 0.2953 0.2953 0.4495 0.4495 0.6565 0.6565 1.0660 1.0660 1.1651 1.1651 2.3607 2.3607 2.9019 2.9019 3.4523 3.4523 3.7284 3.7284 3.8854 3.8854 4.1484 4.1484 4.3066 4.3066 4.8249 4.8249 5.2843 5.2843 5.3061 5.3061 5.7268 5.7268 6.8559 6.8559 6.9236 6.9236 6.9786 6.9786 7.2376 7.2376 7.3154 7.3154 7.4870 7.4870 8.3614 8.3614 8.5172 8.5172 9.3694 9.3694 9.5102 9.5102 13.2905 13.2905 k = 0.1391-0.1186-0.2772 ( 3309 PWs) bands (ev): -13.3185 -13.3185 -12.4711 -12.4711 -11.4490 -11.4490 -11.4439 -11.4439 -11.2980 -11.2980 -11.2068 -11.2068 -0.2910 -0.2910 0.0316 0.0316 0.3141 0.3141 0.4500 0.4500 0.6669 0.6669 1.1146 1.1146 1.1979 1.1979 2.3380 2.3380 2.9162 2.9162 3.4438 3.4438 3.6559 3.6559 3.9006 3.9006 4.1452 4.1452 4.2811 4.2811 4.8324 4.8324 5.2595 5.2595 5.2967 5.2967 5.7108 5.7108 6.8604 6.8604 6.9287 6.9287 6.9914 6.9914 7.2331 7.2331 7.3106 7.3106 7.4867 7.4867 8.3579 8.3579 8.5347 8.5347 9.3414 9.3414 9.5013 9.5013 13.3255 13.3255 k = 0.1465-0.1249-0.2917 ( 3309 PWs) bands (ev): -13.2971 -13.2971 -12.4732 -12.4732 -11.4510 -11.4510 -11.4486 -11.4486 -11.3149 -11.3149 -11.2148 -11.2148 -0.2862 -0.2862 0.0350 0.0350 0.3231 0.3231 0.4634 0.4634 0.6773 0.6773 1.1632 1.1632 1.2301 1.2301 2.3170 2.3170 2.9303 2.9303 3.4345 3.4345 3.5817 3.5817 3.8996 3.8996 4.1559 4.1559 4.2557 4.2557 4.8372 4.8372 5.2163 5.2163 5.3074 5.3074 5.6956 5.6956 6.8648 6.8648 6.9335 6.9335 7.0044 7.0044 7.2283 7.2283 7.3052 7.3052 7.4872 7.4872 8.3546 8.3546 8.5538 8.5538 9.3127 9.3127 9.4927 9.4927 13.3602 13.3602 k = 0.1538-0.1311-0.3063 ( 3305 PWs) bands (ev): -13.2750 -13.2750 -12.4757 -12.4757 -11.4545 -11.4545 -11.4519 -11.4519 -11.3322 -11.3322 -11.2229 -11.2229 -0.2803 -0.2803 0.0393 0.0393 0.3228 0.3228 0.4890 0.4890 0.6878 0.6878 1.2107 1.2107 1.2622 1.2622 2.2976 2.2976 2.9439 2.9439 3.4243 3.4243 3.5063 3.5063 3.8841 3.8841 4.1784 4.1784 4.2308 4.2308 4.8396 4.8396 5.1742 5.1742 5.3187 5.3187 5.6810 5.6810 6.8688 6.8688 6.9382 6.9382 7.0175 7.0175 7.2231 7.2231 7.2989 7.2989 7.4887 7.4887 8.3516 8.3516 8.5745 8.5745 9.2833 9.2833 9.4846 9.4846 13.3945 13.3945 k = 0.1611-0.1374-0.3209 ( 3303 PWs) bands (ev): -13.2520 -13.2520 -12.4787 -12.4787 -11.4601 -11.4601 -11.4531 -11.4531 -11.3498 -11.3498 -11.2310 -11.2310 -0.2733 -0.2733 0.0445 0.0445 0.3171 0.3171 0.5230 0.5230 0.6983 0.6983 1.2546 1.2546 1.2960 1.2960 2.2800 2.2800 2.9565 2.9565 3.4127 3.4127 3.4311 3.4311 3.8584 3.8584 4.2042 4.2042 4.2104 4.2104 4.8397 4.8397 5.1336 5.1336 5.3302 5.3302 5.6671 5.6671 6.8726 6.8726 6.9429 6.9429 7.0308 7.0308 7.2177 7.2177 7.2916 7.2916 7.4913 7.4913 8.3489 8.3489 8.5968 8.5968 9.2532 9.2532 9.4767 9.4767 13.4281 13.4281 k = 0.1684-0.1436-0.3355 ( 3301 PWs) bands (ev): -13.2284 -13.2284 -12.4822 -12.4822 -11.4662 -11.4662 -11.4537 -11.4537 -11.3676 -11.3676 -11.2390 -11.2390 -0.2652 -0.2652 0.0506 0.0506 0.3093 0.3093 0.5624 0.5624 0.7087 0.7087 1.2907 1.2907 1.3349 1.3349 2.2644 2.2644 2.9677 2.9677 3.3544 3.3544 3.4024 3.4024 3.8261 3.8261 4.1829 4.1829 4.2408 4.2408 4.8379 4.8379 5.0947 5.0947 5.3417 5.3417 5.6540 5.6540 6.8761 6.8761 6.9477 6.9477 7.0442 7.0442 7.2120 7.2120 7.2832 7.2832 7.4951 7.4951 8.3467 8.3467 8.6205 8.6205 9.2225 9.2225 9.4693 9.4693 13.4611 13.4611 k = 0.1757-0.1499-0.3501 ( 3293 PWs) bands (ev): -13.2042 -13.2042 -12.4862 -12.4862 -11.4729 -11.4729 -11.4538 -11.4538 -11.3855 -11.3855 -11.2470 -11.2470 -0.2560 -0.2560 0.0574 0.0574 0.3011 0.3011 0.6053 0.6053 0.7190 0.7190 1.3185 1.3185 1.3790 1.3790 2.2508 2.2508 2.9765 2.9765 3.2811 3.2811 3.3900 3.3900 3.7898 3.7898 4.1608 4.1608 4.2733 4.2733 4.8345 4.8345 5.0576 5.0576 5.3532 5.3532 5.6417 5.6417 6.8794 6.8794 6.9524 6.9524 7.0576 7.0576 7.2062 7.2062 7.2736 7.2736 7.5001 7.5001 8.3449 8.3449 8.6456 8.6456 9.1914 9.1914 9.4620 9.4620 13.4932 13.4932 k = 0.1831-0.1561-0.3647 ( 3293 PWs) bands (ev): -13.1793 -13.1793 -12.4907 -12.4907 -11.4800 -11.4800 -11.4534 -11.4534 -11.4034 -11.4034 -11.2550 -11.2550 -0.2457 -0.2457 0.0650 0.0650 0.2936 0.2936 0.6507 0.6507 0.7293 0.7293 1.3404 1.3404 1.4249 1.4249 2.2393 2.2393 2.9808 2.9808 3.2123 3.2123 3.3770 3.3770 3.7507 3.7507 4.1400 4.1400 4.3040 4.3040 4.8301 4.8301 5.0225 5.0225 5.3645 5.3645 5.6301 5.6301 6.8823 6.8823 6.9573 6.9573 7.0710 7.0710 7.2003 7.2003 7.2628 7.2628 7.5061 7.5061 8.3436 8.3436 8.6720 8.6720 9.1597 9.1597 9.4550 9.4550 13.5245 13.5245 k = 0.1904-0.1623-0.3793 ( 3289 PWs) bands (ev): -13.1539 -13.1539 -12.4957 -12.4957 -11.4876 -11.4876 -11.4528 -11.4528 -11.4210 -11.4210 -11.2627 -11.2627 -0.2344 -0.2344 0.0734 0.0734 0.2871 0.2871 0.6974 0.6974 0.7403 0.7403 1.3577 1.3577 1.4704 1.4704 2.2299 2.2299 2.9765 2.9765 3.1531 3.1531 3.3634 3.3634 3.7095 3.7095 4.1207 4.1207 4.3316 4.3316 4.8253 4.8253 4.9895 4.9895 5.3756 5.3756 5.6193 5.6193 6.8849 6.8849 6.9623 6.9623 7.0842 7.0842 7.1946 7.1946 7.2512 7.2512 7.5131 7.5131 8.3428 8.3428 8.6996 8.6996 9.1278 9.1278 9.4482 9.4482 13.5548 13.5548 k = 0.1977-0.1686-0.3939 ( 3291 PWs) bands (ev): -13.1281 -13.1281 -12.5013 -12.5013 -11.4957 -11.4957 -11.4529 -11.4529 -11.4372 -11.4372 -11.2704 -11.2704 -0.2221 -0.2221 0.0824 0.0824 0.2821 0.2821 0.7371 0.7371 0.7598 0.7598 1.3707 1.3707 1.5142 1.5142 2.2225 2.2225 2.9556 2.9556 3.1122 3.1122 3.3491 3.3491 3.6670 3.6670 4.1030 4.1030 4.3549 4.3549 4.8208 4.8208 4.9587 4.9587 5.3863 5.3863 5.6092 5.6092 6.8872 6.8872 6.9672 6.9672 7.0970 7.0970 7.1892 7.1892 7.2388 7.2388 7.5209 7.5209 8.3427 8.3427 8.7283 8.7283 9.0956 9.0956 9.4415 9.4415 13.5841 13.5841 k = 0.2050-0.1748-0.4084 ( 3285 PWs) bands (ev): -13.1019 -13.1019 -12.5074 -12.5074 -11.5044 -11.5044 -11.4611 -11.4611 -11.4445 -11.4445 -11.2778 -11.2778 -0.2089 -0.2089 0.0920 0.0920 0.2787 0.2787 0.7527 0.7527 0.8049 0.8049 1.3793 1.3793 1.5553 1.5553 2.2172 2.2172 2.9155 2.9155 3.0933 3.0933 3.3342 3.3342 3.6234 3.6234 4.0870 4.0870 4.3732 4.3732 4.8172 4.8172 4.9304 4.9304 5.3966 5.3966 5.5998 5.5998 6.8890 6.8890 6.9721 6.9721 7.1090 7.1090 7.1848 7.1848 7.2262 7.2262 7.5292 7.5292 8.3432 8.3432 8.7580 8.7580 9.0632 9.0632 9.4347 9.4347 13.6125 13.6125 k = 0.2124-0.1811-0.4230 ( 3279 PWs) bands (ev): -13.0754 -13.0754 -12.5140 -12.5140 -11.5134 -11.5134 -11.4771 -11.4771 -11.4432 -11.4432 -11.2850 -11.2850 -0.1947 -0.1947 0.1021 0.1021 0.2772 0.2772 0.7624 0.7624 0.8571 0.8571 1.3832 1.3832 1.5928 1.5928 2.2140 2.2140 2.8652 2.8652 3.0888 3.0888 3.3184 3.3184 3.5793 3.5793 4.0726 4.0726 4.3857 4.3857 4.8151 4.8151 4.9047 4.9047 5.4064 5.4064 5.5909 5.5909 6.8905 6.8905 6.9766 6.9766 7.1190 7.1190 7.1820 7.1820 7.2139 7.2139 7.5379 7.5379 8.3444 8.3444 8.7885 8.7885 9.0307 9.0307 9.4279 9.4279 13.6399 13.6399 k = 0.2197-0.1873-0.4376 ( 3291 PWs) bands (ev): -13.0487 -13.0487 -12.5212 -12.5212 -11.5230 -11.5230 -11.4940 -11.4940 -11.4400 -11.4400 -11.2920 -11.2920 -0.1798 -0.1798 0.1126 0.1126 0.2774 0.2774 0.7710 0.7710 0.9114 0.9114 1.3822 1.3822 1.6257 1.6257 2.2127 2.2127 2.8137 2.8137 3.0907 3.0907 3.3017 3.3017 3.5349 3.5349 4.0597 4.0597 4.3921 4.3921 4.8149 4.8149 4.8816 4.8816 5.4156 5.4156 5.5826 5.5826 6.8913 6.8913 6.9804 6.9804 7.1258 7.1258 7.1815 7.1815 7.2030 7.2030 7.5468 7.5468 8.3463 8.3463 8.8195 8.8195 8.9981 8.9981 9.4209 9.4209 13.6664 13.6664 k = 0.2270-0.1936-0.4522 ( 3289 PWs) bands (ev): -13.0218 -13.0218 -12.5288 -12.5288 -11.5329 -11.5329 -11.5107 -11.5107 -11.4361 -11.4361 -11.2987 -11.2987 -0.1641 -0.1641 0.1235 0.1235 0.2797 0.2797 0.7791 0.7791 0.9673 0.9673 1.3760 1.3760 1.6530 1.6530 2.2132 2.2132 2.7662 2.7662 3.0955 3.0955 3.2839 3.2839 3.4908 3.4908 4.0483 4.0483 4.3924 4.3924 4.8166 4.8166 4.8613 4.8613 5.4242 5.4242 5.5747 5.5747 6.8917 6.8917 6.9832 6.9832 7.1282 7.1282 7.1804 7.1804 7.1984 7.1984 7.5557 7.5557 8.3490 8.3490 8.8511 8.8511 8.9656 8.9656 9.4136 9.4136 13.6921 13.6921 k = 0.2343-0.1998-0.4668 ( 3288 PWs) bands (ev): -12.9949 -12.9949 -12.5369 -12.5369 -11.5433 -11.5433 -11.5270 -11.5270 -11.4314 -11.4314 -11.3052 -11.3052 -0.1477 -0.1477 0.1345 0.1345 0.2840 0.2840 0.7869 0.7869 1.0244 1.0244 1.3642 1.3642 1.6739 1.6739 2.2155 2.2155 2.7257 2.7257 3.1017 3.1017 3.2642 3.2642 3.4477 3.4477 4.0382 4.0382 4.3871 4.3871 4.8200 4.8200 4.8441 4.8441 5.4320 5.4320 5.5671 5.5671 6.8916 6.8916 6.9847 6.9847 7.1265 7.1265 7.1744 7.1744 7.2046 7.2046 7.5646 7.5646 8.3525 8.3525 8.8830 8.8830 8.9332 8.9332 9.4060 9.4060 13.7170 13.7170 k = 0.2416-0.2061-0.4814 ( 3284 PWs) bands (ev): -12.9680 -12.9680 -12.5455 -12.5455 -11.5540 -11.5540 -11.5428 -11.5428 -11.4262 -11.4262 -11.3114 -11.3114 -0.1307 -0.1307 0.1455 0.1455 0.2903 0.2903 0.7944 0.7944 1.0827 1.0827 1.3467 1.3467 1.6875 1.6875 2.2193 2.2193 2.6936 2.6936 3.1087 3.1087 3.2421 3.2421 3.4065 3.4065 4.0293 4.0293 4.3766 4.3766 4.8237 4.8237 4.8310 4.8310 5.4391 5.4391 5.5597 5.5597 6.8909 6.8909 6.9844 6.9844 7.1217 7.1217 7.1682 7.1682 7.2163 7.2163 7.5732 7.5732 8.3568 8.3568 8.9001 8.9001 8.9160 8.9160 9.3979 9.3979 13.7413 13.7413 k = 0.2490-0.2123-0.4960 ( 3282 PWs) bands (ev): -12.9414 -12.9414 -12.5544 -12.5544 -11.5651 -11.5651 -11.5578 -11.5578 -11.4205 -11.4205 -11.3174 -11.3174 -0.1131 -0.1131 0.1563 0.1563 0.2986 0.2986 0.8018 0.8018 1.1419 1.1419 1.3236 1.3236 1.6937 1.6937 2.2244 2.2244 2.6708 2.6708 3.1166 3.1166 3.2165 3.2165 3.3685 3.3685 4.0212 4.0212 4.3618 4.3618 4.8172 4.8172 4.8321 4.8321 5.4452 5.4452 5.5524 5.5524 6.8896 6.8896 6.9822 6.9822 7.1148 7.1148 7.1642 7.1642 7.2304 7.2304 7.5815 7.5815 8.3620 8.3620 8.8685 8.8685 8.9477 8.9477 9.3892 9.3892 13.7650 13.7650 k = 0.2563-0.2185-0.5106 ( 3274 PWs) bands (ev): -12.9149 -12.9149 -12.5637 -12.5637 -11.5764 -11.5764 -11.5722 -11.5722 -11.4142 -11.4142 -11.3232 -11.3232 -0.0950 -0.0950 0.1668 0.1668 0.3091 0.3091 0.8091 0.8091 1.2019 1.2019 1.2949 1.2949 1.6926 1.6926 2.2307 2.2307 2.6573 2.6573 3.1253 3.1253 3.1864 3.1864 3.3348 3.3348 4.0140 4.0140 4.3435 4.3435 4.8091 4.8091 4.8383 4.8383 5.4504 5.4504 5.5448 5.5448 6.8878 6.8878 6.9778 6.9778 7.1065 7.1065 7.1631 7.1631 7.2458 7.2458 7.5893 7.5893 8.3681 8.3681 8.8369 8.8369 8.9797 8.9797 9.3801 9.3801 13.7883 13.7883 k = 0.2636-0.2248-0.5251 ( 3276 PWs) bands (ev): -12.8889 -12.8889 -12.5734 -12.5734 -11.5881 -11.5881 -11.5856 -11.5856 -11.4076 -11.4076 -11.3288 -11.3288 -0.0766 -0.0766 0.1765 0.1765 0.3216 0.3216 0.8164 0.8164 1.2591 1.2591 1.2645 1.2645 1.6849 1.6849 2.2379 2.2379 2.6523 2.6523 3.1347 3.1347 3.1517 3.1517 3.3062 3.3062 4.0073 4.0073 4.3226 4.3226 4.8036 4.8036 4.8448 4.8448 5.4546 5.4546 5.5369 5.5369 6.8853 6.8853 6.9718 6.9718 7.0973 7.0973 7.1644 7.1644 7.2619 7.2619 7.5967 7.5967 8.3751 8.3751 8.8055 8.8055 9.0115 9.0115 9.3702 9.3702 13.8113 13.8113 k = 0.2709-0.2310-0.5397 ( 3278 PWs) bands (ev): -12.8633 -12.8633 -12.5833 -12.5833 -11.5998 -11.5998 -11.5981 -11.5981 -11.4005 -11.4005 -11.3341 -11.3341 -0.0577 -0.0577 0.1852 0.1852 0.3362 0.3362 0.8237 0.8237 1.2222 1.2222 1.3241 1.3241 1.6716 1.6716 2.2457 2.2457 2.6545 2.6545 3.1109 3.1109 3.1470 3.1470 3.2824 3.2824 4.0011 4.0011 4.2996 4.2996 4.8009 4.8009 4.8512 4.8512 5.4578 5.4578 5.5283 5.5283 6.8823 6.8823 6.9642 6.9642 7.0878 7.0878 7.1678 7.1678 7.2786 7.2786 7.6035 7.6035 8.3830 8.3830 8.7745 8.7745 9.0427 9.0427 9.3596 9.3596 13.8341 13.8341 k = 0.2783-0.2373-0.5543 ( 3276 PWs) bands (ev): -12.8384 -12.8384 -12.5934 -12.5934 -11.6117 -11.6117 -11.6095 -11.6095 -11.3930 -11.3930 -11.3392 -11.3392 -0.0387 -0.0387 0.1925 0.1925 0.3529 0.3529 0.8313 0.8313 1.1800 1.1800 1.3858 1.3858 1.6539 1.6539 2.2538 2.2538 2.6622 2.6622 3.0677 3.0677 3.1600 3.1600 3.2627 3.2627 3.9952 3.9952 4.2752 4.2752 4.8007 4.8007 4.8573 4.8573 5.4599 5.4599 5.5189 5.5189 6.8787 6.8787 6.9557 6.9557 7.0781 7.0781 7.1728 7.1728 7.2955 7.2955 7.6098 7.6098 8.3919 8.3919 8.7441 8.7441 9.0734 9.0734 9.3483 9.3483 13.8568 13.8568 k = 0.2856-0.2435-0.5689 ( 3268 PWs) bands (ev): -12.8141 -12.8141 -12.6038 -12.6038 -11.6237 -11.6237 -11.6198 -11.6198 -11.3853 -11.3853 -11.3441 -11.3441 -0.0194 -0.0194 0.1979 0.1979 0.3715 0.3715 0.8391 0.8391 1.1351 1.1351 1.4476 1.4476 1.6331 1.6331 2.2620 2.2620 2.6735 2.6735 3.0219 3.0219 3.1751 3.1751 3.2461 3.2461 3.9896 3.9896 4.2499 4.2499 4.8031 4.8031 4.8629 4.8629 5.4608 5.4608 5.5087 5.5087 6.8746 6.8746 6.9467 6.9467 7.0684 7.0684 7.1788 7.1788 7.3126 7.3126 7.6155 7.6155 8.4017 8.4017 8.7143 8.7143 9.1033 9.1033 9.3363 9.3363 13.8794 13.8794 k = 0.2929-0.2498-0.5835 ( 3268 PWs) bands (ev): -12.7908 -12.7908 -12.6143 -12.6143 -11.6357 -11.6357 -11.6289 -11.6289 -11.3773 -11.3773 -11.3489 -11.3489 0.0000 0.0000 0.2008 0.2008 0.3922 0.3922 0.8472 0.8472 1.0887 1.0887 1.5096 1.5096 1.6100 1.6100 2.2699 2.2699 2.6867 2.6867 2.9745 2.9745 3.1927 3.1927 3.2321 3.2321 3.9842 3.9842 4.2242 4.2242 4.8076 4.8076 4.8681 4.8681 5.4600 5.4600 5.4979 5.4979 6.8699 6.8699 6.9375 6.9375 7.0586 7.0586 7.1854 7.1854 7.3298 7.3298 7.6206 7.6206 8.4125 8.4125 8.6852 8.6852 9.1323 9.1323 9.3235 9.3235 13.9021 13.9021 k = 0.3002-0.2560-0.5981 ( 3274 PWs) bands (ev): -12.7683 -12.7683 -12.6249 -12.6249 -11.6478 -11.6478 -11.6366 -11.6366 -11.3692 -11.3692 -11.3534 -11.3534 0.0195 0.0195 0.2006 0.2006 0.4149 0.4149 0.8558 0.8558 1.0422 1.0422 1.5712 1.5712 1.5856 1.5856 2.2772 2.2772 2.7003 2.7003 2.9262 2.9262 3.2116 3.2116 3.2217 3.2217 3.9790 3.9790 4.1986 4.1986 4.8141 4.8141 4.8728 4.8728 5.4561 5.4561 5.4878 5.4878 6.8648 6.8648 6.9283 6.9283 7.0488 7.0488 7.1923 7.1923 7.3468 7.3468 7.6251 7.6251 8.4241 8.4241 8.6569 8.6569 9.1601 9.1601 9.3102 9.3102 13.9250 13.9250 k = 0.3075-0.2623-0.6127 ( 3276 PWs) bands (ev): -12.7470 -12.7470 -12.6356 -12.6356 -11.6598 -11.6598 -11.6429 -11.6429 -11.3609 -11.3609 -11.3578 -11.3578 0.0390 0.0390 0.1967 0.1967 0.4395 0.4395 0.8649 0.8649 0.9968 0.9968 1.5604 1.5604 1.6326 1.6326 2.2834 2.2834 2.7131 2.7131 2.8775 2.8775 3.2087 3.2087 3.2379 3.2379 3.9739 3.9739 4.1733 4.1733 4.8223 4.8223 4.8771 4.8771 5.4469 5.4469 5.4807 5.4807 6.8592 6.8592 6.9193 6.9193 7.0392 7.0392 7.1992 7.1992 7.3636 7.3636 7.6290 7.6290 8.4366 8.4366 8.6295 8.6295 9.1864 9.1864 9.2965 9.2965 13.9480 13.9480 k = 0.3149-0.2685-0.6273 ( 3280 PWs) bands (ev): -12.7268 -12.7268 -12.6463 -12.6463 -11.6718 -11.6718 -11.6477 -11.6477 -11.3620 -11.3620 -11.3526 -11.3526 0.0583 0.0583 0.1883 0.1883 0.4659 0.4659 0.8746 0.8746 0.9539 0.9539 1.5351 1.5351 1.6933 1.6933 2.2882 2.2882 2.7243 2.7243 2.8289 2.8289 3.2005 3.2005 3.2642 3.2642 3.9689 3.9689 4.1488 4.1488 4.8319 4.8319 4.8810 4.8810 5.4318 5.4318 5.4770 5.4770 6.8534 6.8534 6.9107 6.9107 7.0295 7.0295 7.2059 7.2059 7.3801 7.3801 7.6322 7.6322 8.4498 8.4498 8.6032 8.6032 9.2104 9.2104 9.2832 9.2832 13.9713 13.9713 k = 0.3222-0.2747-0.6418 ( 3286 PWs) bands (ev): -12.7078 -12.7078 -12.6569 -12.6569 -11.6836 -11.6836 -11.6510 -11.6510 -11.3660 -11.3660 -11.3442 -11.3442 0.0776 0.0776 0.1748 0.1748 0.4941 0.4941 0.8849 0.8849 0.9144 0.9144 1.5103 1.5103 1.7529 1.7529 2.2912 2.2912 2.7331 2.7331 2.7808 2.7808 3.1937 3.1937 3.2937 3.2937 3.9640 3.9640 4.1254 4.1254 4.8428 4.8428 4.8846 4.8846 5.4125 5.4125 5.4752 5.4752 6.8474 6.8474 6.9025 6.9025 7.0200 7.0200 7.2120 7.2120 7.3962 7.3962 7.6349 7.6349 8.4634 8.4634 8.5784 8.5784 9.2292 9.2292 9.2734 9.2734 13.9946 13.9946 k = 0.3295-0.2810-0.6564 ( 3292 PWs) bands (ev): -12.6902 -12.6902 -12.6675 -12.6675 -11.6953 -11.6953 -11.6528 -11.6528 -11.3699 -11.3699 -11.3359 -11.3359 0.0966 0.0966 0.1560 0.1560 0.5241 0.5241 0.8784 0.8784 0.8966 0.8966 1.4864 1.4864 1.8113 1.8113 2.2920 2.2920 2.7324 2.7324 2.7407 2.7407 3.1887 3.1887 3.3259 3.3259 3.9591 3.9591 4.1034 4.1034 4.8546 4.8546 4.8878 4.8878 5.3901 5.3901 5.4743 5.4743 6.8412 6.8412 6.8945 6.8945 7.0105 7.0105 7.2176 7.2176 7.4118 7.4118 7.6369 7.6369 8.4765 8.4765 8.5561 8.5561 9.2326 9.2326 9.2770 9.2770 14.0181 14.0181 k = 0.3368-0.2872-0.6710 ( 3290 PWs) bands (ev): -12.6781 -12.6781 -12.6738 -12.6738 -11.7067 -11.7067 -11.6530 -11.6530 -11.3737 -11.3737 -11.3277 -11.3277 0.1149 0.1149 0.1322 0.1322 0.5557 0.5557 0.8478 0.8478 0.9083 0.9083 1.4637 1.4637 1.8680 1.8680 2.2899 2.2899 2.6872 2.6872 2.7437 2.7437 3.1855 3.1855 3.3606 3.3606 3.9543 3.9543 4.0830 4.0830 4.8671 4.8671 4.8909 4.8909 5.3651 5.3651 5.4740 5.4740 6.8349 6.8349 6.8869 6.8869 7.0013 7.0013 7.2223 7.2223 7.4267 7.4267 7.6384 7.6384 8.4858 8.4858 8.5395 8.5395 9.2215 9.2215 9.2934 9.2934 14.0415 14.0415 k = 0.3442-0.2935-0.6856 ( 3286 PWs) bands (ev): -12.6883 -12.6883 -12.6591 -12.6591 -11.7180 -11.7180 -11.6517 -11.6517 -11.3772 -11.3772 -11.3197 -11.3197 0.1010 0.1010 0.1351 0.1351 0.5889 0.5889 0.8214 0.8214 0.9211 0.9211 1.4427 1.4427 1.9227 1.9227 2.2846 2.2846 2.6432 2.6432 2.7450 2.7450 3.1843 3.1843 3.3971 3.3971 3.9495 3.9495 4.0644 4.0644 4.8797 4.8797 4.8940 4.8940 5.3380 5.3380 5.4741 5.4741 6.8285 6.8285 6.8795 6.8795 6.9922 6.9922 7.2262 7.2262 7.4409 7.4409 7.6394 7.6394 8.4836 8.4836 8.5364 8.5364 9.2061 9.2061 9.3126 9.3126 14.0644 14.0644 k = 0.3515-0.2997-0.7002 ( 3286 PWs) bands (ev): -12.6983 -12.6983 -12.6457 -12.6457 -11.7289 -11.7289 -11.6489 -11.6489 -11.3806 -11.3806 -11.3118 -11.3118 0.0668 0.0668 0.1532 0.1532 0.6235 0.6235 0.7989 0.7989 0.9348 0.9348 1.4238 1.4238 1.9747 1.9747 2.2755 2.2755 2.6015 2.6015 2.7441 2.7441 3.1851 3.1851 3.4351 3.4351 3.9446 3.9446 4.0478 4.0478 4.8906 4.8906 4.8990 4.8990 5.3089 5.3089 5.4746 5.4746 6.8220 6.8220 6.8724 6.8724 6.9833 6.9833 7.2291 7.2291 7.4543 7.4543 7.6398 7.6398 8.4694 8.4694 8.5471 8.5471 9.1893 9.1893 9.3316 9.3316 14.0852 14.0852 k = 0.3588-0.3060-0.7148 ( 3284 PWs) bands (ev): -12.7082 -12.7082 -12.6337 -12.6337 -11.7395 -11.7395 -11.6446 -11.6446 -11.3839 -11.3839 -11.3042 -11.3042 0.0285 0.0285 0.1713 0.1713 0.6595 0.6595 0.7798 0.7798 0.9496 0.9496 1.4073 1.4073 2.0234 2.0234 2.2623 2.2623 2.5629 2.5629 2.7412 2.7412 3.1882 3.1882 3.4740 3.4740 3.9396 3.9396 4.0334 4.0334 4.8953 4.8953 4.9099 4.9099 5.2782 5.2782 5.4756 5.4756 6.8154 6.8154 6.8655 6.8655 6.9747 6.9747 7.2310 7.2310 7.4667 7.4667 7.6396 7.6396 8.4515 8.4515 8.5634 8.5634 9.1719 9.1719 9.3496 9.3496 14.0977 14.0977 k = 0.6412-0.0752-0.5626 ( 3284 PWs) bands (ev): -12.7082 -12.7082 -12.6337 -12.6337 -11.7396 -11.7396 -11.6446 -11.6446 -11.3840 -11.3840 -11.3042 -11.3042 0.0285 0.0285 0.1713 0.1713 0.6595 0.6595 0.7797 0.7797 0.9496 0.9496 1.4073 1.4073 2.0234 2.0234 2.2623 2.2623 2.5629 2.5629 2.7412 2.7412 3.1882 3.1882 3.4740 3.4740 3.9396 3.9396 4.0334 4.0334 4.8953 4.8953 4.9099 4.9099 5.2783 5.2783 5.4756 5.4756 6.8154 6.8154 6.8655 6.8655 6.9747 6.9747 7.2310 7.2310 7.4667 7.4667 7.6396 7.6396 8.4515 8.4515 8.5634 8.5634 9.1720 9.1720 9.3496 9.3496 14.0977 14.0977 k = 0.6341-0.0599-0.5626 ( 3286 PWs) bands (ev): -12.7174 -12.7174 -12.6234 -12.6234 -11.7495 -11.7495 -11.6392 -11.6392 -11.3870 -11.3870 -11.2972 -11.2972 -0.0112 -0.0112 0.1885 0.1885 0.6954 0.6954 0.7636 0.7636 0.9647 0.9647 1.3939 1.3939 2.0664 2.0664 2.2456 2.2456 2.5291 2.5291 2.7368 2.7368 3.1934 3.1934 3.5120 3.5120 3.9348 3.9348 4.0216 4.0216 4.8971 4.8971 4.9227 4.9227 5.2473 5.2473 5.4771 5.4771 6.8088 6.8088 6.8590 6.8590 6.9667 6.9667 7.2318 7.2318 7.4778 7.4778 7.6389 7.6389 8.4338 8.4338 8.5811 8.5811 9.1551 9.1551 9.3660 9.3660 14.0964 14.0964 k = 0.6271-0.0446-0.5626 ( 3284 PWs) bands (ev): -12.7263 -12.7263 -12.6144 -12.6144 -11.7591 -11.7591 -11.6328 -11.6328 -11.3899 -11.3899 -11.2905 -11.2905 -0.0528 -0.0528 0.2054 0.2054 0.7321 0.7321 0.7490 0.7490 0.9809 0.9809 1.3831 1.3831 2.1038 2.1038 2.2261 2.2261 2.4991 2.4991 2.7311 2.7311 3.2010 3.2010 3.5501 3.5501 3.9299 3.9299 4.0120 4.0120 4.8981 4.8981 4.9358 4.9358 5.2154 5.2154 5.4792 5.4792 6.8020 6.8020 6.8527 6.8527 6.9590 6.9590 7.2316 7.2316 7.4881 7.4881 7.6376 7.6376 8.4167 8.4167 8.5997 8.5997 9.1382 9.1382 9.3814 9.3814 14.0899 14.0899 k = 0.6200-0.0293-0.5626 ( 3288 PWs) bands (ev): -12.7349 -12.7349 -12.6066 -12.6066 -11.7683 -11.7683 -11.6253 -11.6253 -11.3926 -11.3926 -11.2842 -11.2842 -0.0955 -0.0955 0.2220 0.2220 0.7349 0.7349 0.7701 0.7701 0.9980 0.9980 1.3750 1.3750 2.1310 2.1310 2.2078 2.2078 2.4730 2.4730 2.7242 2.7242 3.2110 3.2110 3.5879 3.5879 3.9250 3.9250 4.0045 4.0045 4.8983 4.8983 4.9489 4.9489 5.1828 5.1828 5.4818 5.4818 6.7949 6.7949 6.8465 6.8465 6.9517 6.9517 7.2304 7.2304 7.4974 7.4974 7.6359 7.6359 8.4003 8.4003 8.6190 8.6190 9.1216 9.1216 9.3956 9.3956 14.0823 14.0823 k = 0.6130-0.0140-0.5626 ( 3286 PWs) bands (ev): -12.7432 -12.7432 -12.5998 -12.5998 -11.7771 -11.7771 -11.6170 -11.6170 -11.3952 -11.3952 -11.2783 -11.2783 -0.1384 -0.1384 0.2383 0.2383 0.7213 0.7213 0.8085 0.8085 1.0162 1.0162 1.3696 1.3696 2.1344 2.1344 2.2038 2.2038 2.4512 2.4512 2.7164 2.7164 3.2236 3.2236 3.6251 3.6251 3.9201 3.9201 3.9991 3.9991 4.8976 4.8976 4.9618 4.9618 5.1498 5.1498 5.4851 5.4851 6.7875 6.7875 6.8407 6.8407 6.9449 6.9449 7.2284 7.2284 7.5057 7.5057 7.6337 7.6337 8.3849 8.3849 8.6386 8.6386 9.1054 9.1054 9.4089 9.4089 14.0745 14.0745 k = 0.6059 0.0013-0.5626 ( 3278 PWs) bands (ev): -12.7511 -12.7511 -12.5941 -12.5941 -11.7855 -11.7855 -11.6079 -11.6079 -11.3976 -11.3976 -11.2728 -11.2728 -0.1810 -0.1810 0.2542 0.2542 0.7076 0.7076 0.8475 0.8475 1.0355 1.0355 1.3669 1.3669 2.1122 2.1122 2.2157 2.2157 2.4342 2.4342 2.7080 2.7080 3.2388 3.2388 3.6612 3.6612 3.9153 3.9153 3.9957 3.9957 4.8959 4.8959 4.9744 4.9744 5.1169 5.1169 5.4891 5.4891 6.7798 6.7798 6.8352 6.8352 6.9386 6.9386 7.2255 7.2255 7.5131 7.5131 7.6310 7.6310 8.3706 8.3706 8.6582 8.6582 9.0898 9.0898 9.4210 9.4210 14.0669 14.0669 k = 0.5988 0.0166-0.5626 ( 3278 PWs) bands (ev): -12.7586 -12.7586 -12.5893 -12.5893 -11.7935 -11.7935 -11.5983 -11.5983 -11.3999 -11.3999 -11.2677 -11.2677 -0.2227 -0.2227 0.2699 0.2699 0.6936 0.6936 0.8868 0.8868 1.0559 1.0559 1.3665 1.3665 2.0798 2.0798 2.2272 2.2272 2.4225 2.4225 2.6992 2.6992 3.2564 3.2564 3.6959 3.6959 3.9107 3.9107 3.9941 3.9941 4.8930 4.8930 4.9865 4.9865 5.0845 5.0845 5.4937 5.4937 6.7717 6.7717 6.8300 6.8300 6.9326 6.9326 7.2218 7.2218 7.5196 7.5196 7.6280 7.6280 8.3573 8.3573 8.6777 8.6777 9.0748 9.0748 9.4321 9.4321 14.0595 14.0595 k = 0.5918 0.0319-0.5626 ( 3276 PWs) bands (ev): -12.7657 -12.7657 -12.5854 -12.5854 -11.8010 -11.8010 -11.5883 -11.5883 -11.4021 -11.4021 -11.2631 -11.2631 -0.2630 -0.2630 0.2853 0.2853 0.6790 0.6790 0.9261 0.9261 1.0774 1.0774 1.3683 1.3683 2.0438 2.0438 2.2315 2.2315 2.4168 2.4168 2.6900 2.6900 3.2763 3.2763 3.7288 3.7288 3.9067 3.9067 3.9942 3.9942 4.8884 4.8884 4.9982 4.9982 5.0534 5.0534 5.4991 5.4991 6.7634 6.7634 6.8250 6.8250 6.9272 6.9272 7.2175 7.2175 7.5251 7.5251 7.6247 7.6247 8.3450 8.3450 8.6969 8.6969 9.0605 9.0605 9.4422 9.4422 14.0525 14.0525 k = 0.5847 0.0472-0.5626 ( 3274 PWs) bands (ev): -12.7723 -12.7723 -12.5822 -12.5822 -11.8080 -11.8080 -11.5781 -11.5781 -11.4041 -11.4041 -11.2590 -11.2590 -0.3016 -0.3016 0.3003 0.3003 0.6640 0.6640 0.9653 0.9653 1.1001 1.1001 1.3719 1.3719 2.0060 2.0060 2.2274 2.2274 2.4168 2.4168 2.6808 2.6808 3.2983 3.2983 3.7593 3.7593 3.9035 3.9035 3.9958 3.9958 4.8815 4.8815 5.0092 5.0092 5.0243 5.0243 5.5050 5.5050 6.7548 6.7548 6.8204 6.8204 6.9222 6.9222 7.2126 7.2126 7.5297 7.5297 7.6212 7.6212 8.3337 8.3337 8.7156 8.7156 9.0471 9.0471 9.4514 9.4514 14.0459 14.0459 k = 0.5777 0.0625-0.5626 ( 3274 PWs) bands (ev): -12.7785 -12.7785 -12.5796 -12.5796 -11.8146 -11.8146 -11.5678 -11.5678 -11.4060 -11.4060 -11.2553 -11.2553 -0.3381 -0.3381 0.3151 0.3151 0.6486 0.6486 1.0039 1.0039 1.1238 1.1238 1.3769 1.3769 1.9675 1.9675 2.2160 2.2160 2.4210 2.4210 2.6716 2.6716 3.3218 3.3218 3.7866 3.7866 3.9018 3.9018 3.9986 3.9986 4.8718 4.8718 4.9980 4.9980 5.0198 5.0198 5.5114 5.5114 6.7462 6.7462 6.8162 6.8162 6.9177 6.9177 7.2073 7.2073 7.5334 7.5334 7.6175 7.6175 8.3235 8.3235 8.7336 8.7336 9.0347 9.0347 9.4597 9.4597 14.0397 14.0397 k = 0.5706 0.0778-0.5626 ( 3276 PWs) bands (ev): -12.7842 -12.7842 -12.5776 -12.5776 -11.8206 -11.8206 -11.5577 -11.5577 -11.4077 -11.4077 -11.2521 -11.2521 -0.3722 -0.3722 0.3297 0.3297 0.6329 0.6329 1.0417 1.0417 1.1486 1.1486 1.3831 1.3831 1.9290 1.9290 2.1991 2.1991 2.4273 2.4273 2.6626 2.6626 3.3466 3.3466 3.8094 3.8094 3.9028 3.9028 4.0025 4.0025 4.8585 4.8585 4.9759 4.9759 5.0295 5.0295 5.5182 5.5182 6.7377 6.7377 6.8122 6.8122 6.9136 6.9136 7.2018 7.2018 7.5363 7.5363 7.6139 7.6139 8.3143 8.3143 8.7506 8.7506 9.0233 9.0233 9.4671 9.4671 14.0339 14.0339 k = 0.5635 0.0931-0.5626 ( 3276 PWs) bands (ev): -12.7894 -12.7894 -12.5760 -12.5760 -11.8261 -11.8261 -11.5479 -11.5479 -11.4092 -11.4092 -11.2493 -11.2493 -0.4036 -0.4036 0.3440 0.3440 0.6169 0.6169 1.0782 1.0782 1.1743 1.1743 1.3899 1.3899 1.8909 1.8909 2.1787 2.1787 2.4342 2.4342 2.6540 2.6540 3.3718 3.3718 3.8261 3.8261 3.9079 3.9079 4.0070 4.0070 4.8417 4.8417 4.9584 4.9584 5.0385 5.0385 5.5252 5.5252 6.7293 6.7293 6.8085 6.8085 6.9100 6.9100 7.1961 7.1961 7.5383 7.5383 7.6104 7.6104 8.3060 8.3060 8.7667 8.7667 9.0129 9.0129 9.4737 9.4737 14.0286 14.0286 k = 0.5565 0.1084-0.5626 ( 3274 PWs) bands (ev): -12.7941 -12.7941 -12.5749 -12.5749 -11.8310 -11.8310 -11.5386 -11.5386 -11.4106 -11.4106 -11.2470 -11.2470 -0.4323 -0.4323 0.3582 0.3582 0.6008 0.6008 1.1132 1.1132 1.2007 1.2007 1.3972 1.3972 1.8539 1.8539 2.1561 2.1561 2.4410 2.4410 2.6459 2.6459 3.3971 3.3971 3.8359 3.8359 3.9178 3.9178 4.0121 4.0121 4.8220 4.8220 4.9450 4.9450 5.0467 5.0467 5.5323 5.5323 6.7213 6.7213 6.8052 6.8052 6.9069 6.9069 7.1904 7.1904 7.5395 7.5395 7.6073 7.6073 8.2987 8.2987 8.7815 8.7815 9.0036 9.0036 9.4795 9.4795 14.0238 14.0238 k = 0.5494 0.1236-0.5626 ( 3262 PWs) bands (ev): -12.7983 -12.7983 -12.5740 -12.5740 -11.8354 -11.8354 -11.5299 -11.5299 -11.4118 -11.4118 -11.2451 -11.2451 -0.4579 -0.4579 0.3722 0.3722 0.5848 0.5848 1.1463 1.1463 1.2272 1.2272 1.4044 1.4044 1.8182 1.8182 2.1325 2.1325 2.4470 2.4470 2.6384 2.6384 3.4216 3.4216 3.8401 3.8401 3.9312 3.9312 4.0175 4.0175 4.8009 4.8009 4.9350 4.9350 5.0541 5.0541 5.5393 5.5393 6.7139 6.7139 6.8022 6.8022 6.9041 6.9041 7.1851 7.1851 7.5401 7.5401 7.6046 7.6046 8.2924 8.2924 8.7950 8.7950 8.9955 8.9955 9.4845 9.4845 14.0196 14.0196 k = 0.5424 0.1389-0.5626 ( 3264 PWs) bands (ev): -12.8019 -12.8019 -12.5734 -12.5734 -11.8392 -11.8392 -11.5220 -11.5220 -11.4129 -11.4129 -11.2435 -11.2435 -0.4804 -0.4804 0.3860 0.3860 0.5689 0.5689 1.1773 1.1773 1.2531 1.2531 1.4113 1.4113 1.7846 1.7846 2.1089 2.1089 2.4522 2.4522 2.6317 2.6317 3.4447 3.4447 3.8411 3.8411 3.9456 3.9456 4.0228 4.0228 4.7799 4.7799 4.9273 4.9273 5.0606 5.0606 5.5459 5.5459 6.7071 6.7071 6.7995 6.7995 6.9017 6.9017 7.1799 7.1799 7.5401 7.5401 7.6022 7.6022 8.2869 8.2869 8.8069 8.8069 8.9884 8.9884 9.4887 9.4887 14.0159 14.0159 k = 0.5353 0.1542-0.5626 ( 3262 PWs) bands (ev): -12.8050 -12.8050 -12.5729 -12.5729 -11.8425 -11.8425 -11.5150 -11.5150 -11.4138 -11.4138 -11.2423 -11.2423 -0.4997 -0.4997 0.3996 0.3996 0.5532 0.5532 1.2059 1.2059 1.2773 1.2773 1.4177 1.4177 1.7536 1.7536 2.0863 2.0863 2.4564 2.4564 2.6258 2.6258 3.4657 3.4657 3.8405 3.8405 3.9592 3.9592 4.0278 4.0278 4.7602 4.7602 4.9214 4.9214 5.0661 5.0661 5.5519 5.5519 6.7010 6.7010 6.7972 6.7972 6.8997 6.8997 7.1754 7.1754 7.5396 7.5396 7.6004 7.6004 8.2824 8.2824 8.8173 8.8173 8.9825 8.9825 9.4923 9.4923 14.0127 14.0127 k = 0.5282 0.1695-0.5626 ( 3264 PWs) bands (ev): -12.8076 -12.8076 -12.5727 -12.5727 -11.8451 -11.8451 -11.5091 -11.5091 -11.4146 -11.4146 -11.2414 -11.2414 -0.5155 -0.5155 0.4131 0.4131 0.5380 0.5380 1.2318 1.2318 1.2987 1.2987 1.4232 1.4232 1.7261 1.7261 2.0656 2.0656 2.4597 2.4597 2.6208 2.6208 3.4839 3.4839 3.8393 3.8393 3.9712 3.9712 4.0323 4.0323 4.7428 4.7428 4.9168 4.9168 5.0707 5.0707 5.5571 5.5571 6.6959 6.6959 6.7952 6.7952 6.8981 6.8981 7.1714 7.1714 7.5389 7.5389 7.5989 7.5989 8.2786 8.2786 8.8258 8.8258 8.9777 8.9777 9.4952 9.4952 14.0101 14.0101 k = 0.5212 0.1848-0.5626 ( 3268 PWs) bands (ev): -12.8096 -12.8096 -12.5725 -12.5725 -11.8472 -11.8472 -11.5044 -11.5044 -11.4151 -11.4151 -11.2408 -11.2408 -0.5279 -0.5279 0.4263 0.4263 0.5233 0.5233 1.2544 1.2544 1.3162 1.3162 1.4278 1.4278 1.7030 1.7030 2.0478 2.0478 2.4622 2.4622 2.6168 2.6168 3.4988 3.4988 3.8381 3.8381 3.9808 3.9808 4.0361 4.0361 4.7285 4.7285 4.9133 4.9133 5.0743 5.0743 5.5615 5.5615 6.6918 6.6918 6.7937 6.7937 6.8968 6.8968 7.1682 7.1682 7.5381 7.5381 7.5979 7.5979 8.2757 8.2757 8.8326 8.8326 8.9739 8.9739 9.4974 9.4974 14.0081 14.0081 k = 0.5141 0.2001-0.5626 ( 3272 PWs) bands (ev): -12.8110 -12.8110 -12.5724 -12.5724 -11.8487 -11.8487 -11.5010 -11.5010 -11.4156 -11.4156 -11.2403 -11.2403 -0.5369 -0.5369 0.4388 0.4388 0.5098 0.5098 1.2724 1.2724 1.3287 1.3287 1.4311 1.4311 1.6853 1.6853 2.0342 2.0342 2.4640 2.4640 2.6140 2.6140 3.5099 3.5099 3.8370 3.8370 3.9878 3.9878 4.0390 4.0390 4.7178 4.7178 4.9108 4.9108 5.0769 5.0769 5.5646 5.5646 6.6888 6.6888 6.7926 6.7926 6.8959 6.8959 7.1659 7.1659 7.5373 7.5373 7.5972 7.5972 8.2737 8.2737 8.8375 8.8375 8.9712 8.9712 9.4990 9.4990 14.0066 14.0066 k = 0.5071 0.2154-0.5626 ( 3272 PWs) bands (ev): -12.8118 -12.8118 -12.5723 -12.5723 -11.8496 -11.8496 -11.4989 -11.4989 -11.4158 -11.4158 -11.2401 -11.2401 -0.5422 -0.5422 0.4494 0.4494 0.4985 0.4985 1.2844 1.2844 1.3360 1.3360 1.4332 1.4332 1.6742 1.6742 2.0256 2.0256 2.4650 2.4650 2.6122 2.6122 3.5167 3.5167 3.8363 3.8363 3.9921 3.9921 4.0408 4.0408 4.7112 4.7112 4.9094 4.9094 5.0784 5.0784 5.5666 5.5666 6.6870 6.6870 6.7919 6.7919 6.8954 6.8954 7.1644 7.1644 7.5369 7.5369 7.5968 7.5968 8.2725 8.2725 8.8404 8.8404 8.9696 8.9696 9.4999 9.4999 14.0058 14.0058 k = 0.5000 0.2307-0.5626 ( 3264 PWs) bands (ev): -12.8121 -12.8121 -12.5723 -12.5723 -11.8499 -11.8499 -11.4982 -11.4982 -11.4159 -11.4159 -11.2400 -11.2400 -0.5440 -0.5440 0.4542 0.4542 0.4935 0.4935 1.2887 1.2887 1.3383 1.3383 1.4339 1.4339 1.6704 1.6704 2.0226 2.0226 2.4653 2.4653 2.6116 2.6116 3.5190 3.5190 3.8361 3.8361 3.9935 3.9935 4.0414 4.0414 4.7089 4.7089 4.9089 4.9089 5.0790 5.0790 5.5673 5.5673 6.6864 6.6864 6.7917 6.7917 6.8953 6.8953 7.1640 7.1640 7.5367 7.5367 7.5967 7.5967 8.2721 8.2721 8.8415 8.8415 8.9691 8.9691 9.5002 9.5002 14.0055 14.0055 k = 0.5000 0.2307-0.5626 ( 3264 PWs) bands (ev): -12.8121 -12.8121 -12.5723 -12.5723 -11.8499 -11.8499 -11.4982 -11.4982 -11.4159 -11.4159 -11.2400 -11.2400 -0.5440 -0.5440 0.4542 0.4542 0.4935 0.4935 1.2887 1.2887 1.3383 1.3383 1.4339 1.4339 1.6704 1.6704 2.0226 2.0226 2.4653 2.4653 2.6116 2.6116 3.5190 3.5190 3.8361 3.8361 3.9935 3.9935 4.0414 4.0414 4.7089 4.7089 4.9089 4.9089 5.0790 5.0790 5.5673 5.5673 6.6864 6.6864 6.7917 6.7917 6.8953 6.8953 7.1640 7.1640 7.5367 7.5367 7.5967 7.5967 8.2721 8.2721 8.8415 8.8415 8.9691 8.9691 9.5002 9.5002 14.0055 14.0055 k = 0.5109 0.2358-0.5509 ( 3270 PWs) bands (ev): -12.8119 -12.8119 -12.5730 -12.5730 -11.8496 -11.8496 -11.4980 -11.4980 -11.4158 -11.4158 -11.2400 -11.2400 -0.5438 -0.5438 0.4531 0.4531 0.4943 0.4943 1.2888 1.2888 1.3392 1.3392 1.4313 1.4313 1.6703 1.6703 2.0222 2.0222 2.4680 2.4680 2.6118 2.6118 3.5192 3.5192 3.8358 3.8358 3.9930 3.9930 4.0430 4.0430 4.7067 4.7067 4.9022 4.9022 5.0859 5.0859 5.5653 5.5653 6.6871 6.6871 6.7929 6.7929 6.8961 6.8961 7.1641 7.1641 7.5367 7.5367 7.5966 7.5966 8.2727 8.2727 8.8413 8.8413 8.9694 8.9694 9.4995 9.4995 14.0048 14.0048 k = 0.5217 0.2408-0.5391 ( 3274 PWs) bands (ev): -12.8111 -12.8111 -12.5752 -12.5752 -11.8487 -11.8487 -11.4975 -11.4975 -11.4154 -11.4154 -11.2402 -11.2402 -0.5432 -0.5432 0.4499 0.4499 0.4966 0.4966 1.2892 1.2892 1.3417 1.3417 1.4235 1.4235 1.6699 1.6699 2.0209 2.0209 2.4760 2.4760 2.6123 2.6123 3.5198 3.5198 3.8349 3.8349 3.9914 3.9914 4.0477 4.0477 4.6995 4.6995 4.8858 4.8858 5.1034 5.1034 5.5596 5.5596 6.6893 6.6893 6.7965 6.7965 6.8986 6.8986 7.1644 7.1644 7.5365 7.5365 7.5965 7.5965 8.2748 8.2748 8.8410 8.8410 8.9703 8.9703 9.4971 9.4971 14.0028 14.0028 k = 0.5326 0.2458-0.5274 ( 3274 PWs) bands (ev): -12.8098 -12.8098 -12.5787 -12.5787 -11.8472 -11.8472 -11.4965 -11.4965 -11.4148 -11.4148 -11.2406 -11.2406 -0.5421 -0.5421 0.4446 0.4446 0.5004 0.5004 1.2895 1.2895 1.3460 1.3460 1.4112 1.4112 1.6693 1.6693 2.0189 2.0189 2.4889 2.4889 2.6132 2.6132 3.5209 3.5209 3.8337 3.8337 3.9885 3.9885 4.0554 4.0554 4.6864 4.6864 4.8663 4.8663 5.1263 5.1263 5.5502 5.5502 6.6929 6.6929 6.8024 6.8024 6.9028 6.9028 7.1651 7.1651 7.5363 7.5363 7.5964 7.5964 8.2783 8.2783 8.8404 8.8404 8.9719 8.9719 9.4932 9.4932 13.9996 13.9996 k = 0.5434 0.2508-0.5157 ( 3270 PWs) bands (ev): -12.8081 -12.8081 -12.5836 -12.5836 -11.8450 -11.8450 -11.4953 -11.4953 -11.4140 -11.4140 -11.2411 -11.2411 -0.5407 -0.5407 0.4374 0.4374 0.5058 0.5058 1.2895 1.2895 1.3518 1.3518 1.3950 1.3950 1.6684 1.6684 2.0161 2.0161 2.5063 2.5063 2.6144 2.6144 3.5223 3.5223 3.8325 3.8325 3.9842 3.9842 4.0660 4.0660 4.6663 4.6663 4.8487 4.8487 5.1508 5.1508 5.5372 5.5372 6.6977 6.6977 6.8105 6.8105 6.9086 6.9086 7.1660 7.1660 7.5360 7.5360 7.5962 7.5962 8.2832 8.2832 8.8396 8.8396 8.9741 8.9741 9.4877 9.4877 13.9951 13.9951 k = 0.5543 0.2558-0.5040 ( 3264 PWs) bands (ev): -12.8058 -12.8058 -12.5899 -12.5899 -11.8423 -11.8423 -11.4936 -11.4936 -11.4130 -11.4130 -11.2417 -11.2417 -0.5387 -0.5387 0.4281 0.4281 0.5126 0.5126 1.2882 1.2882 1.3588 1.3588 1.3765 1.3765 1.6671 1.6671 2.0125 2.0125 2.5277 2.5277 2.6161 2.6161 3.5240 3.5240 3.8317 3.8317 3.9782 3.9782 4.0790 4.0790 4.6391 4.6391 4.8354 4.8354 5.1749 5.1749 5.5212 5.5212 6.7037 6.7037 6.8207 6.8207 6.9159 6.9159 7.1672 7.1672 7.5354 7.5354 7.5960 7.5960 8.2896 8.2896 8.8387 8.8387 8.9769 8.9769 9.4807 9.4807 13.9897 13.9897 k = 0.5652 0.2608-0.4923 ( 3261 PWs) bands (ev): -12.8030 -12.8030 -12.5976 -12.5976 -11.8390 -11.8390 -11.4916 -11.4916 -11.4118 -11.4118 -11.2425 -11.2425 -0.5364 -0.5364 0.4171 0.4171 0.5208 0.5208 1.2838 1.2838 1.3555 1.3555 1.3696 1.3696 1.6656 1.6656 2.0083 2.0083 2.5524 2.5524 2.6181 2.6181 3.5260 3.5260 3.8314 3.8314 3.9703 3.9703 4.0943 4.0943 4.6063 4.6063 4.8266 4.8266 5.1977 5.1977 5.5022 5.5022 6.7106 6.7106 6.8327 6.8327 6.9244 6.9244 7.1687 7.1687 7.5346 7.5346 7.5956 7.5956 8.2975 8.2975 8.8375 8.8375 8.9803 8.9803 9.4720 9.4720 13.9833 13.9833 k = 0.5760 0.2658-0.4806 ( 3264 PWs) bands (ev): -12.7997 -12.7997 -12.6065 -12.6065 -11.8351 -11.8351 -11.4892 -11.4892 -11.4103 -11.4103 -11.2434 -11.2434 -0.5336 -0.5336 0.4044 0.4044 0.5303 0.5303 1.2731 1.2731 1.3404 1.3404 1.3793 1.3793 1.6636 1.6636 2.0034 2.0034 2.5799 2.5799 2.6206 2.6206 3.5282 3.5282 3.8321 3.8321 3.9602 3.9602 4.1115 4.1115 4.5701 4.5701 4.8212 4.8212 5.2186 5.2186 5.4806 5.4806 6.7182 6.7182 6.8463 6.8463 6.9341 6.9341 7.1705 7.1705 7.5334 7.5334 7.5950 7.5950 8.3069 8.3069 8.8361 8.8361 8.9844 8.9844 9.4618 9.4618 13.9762 13.9762 k = 0.5869 0.2708-0.4689 ( 3268 PWs) bands (ev): -12.7960 -12.7960 -12.6167 -12.6167 -11.8307 -11.8307 -11.4865 -11.4865 -11.4087 -11.4087 -11.2445 -11.2445 -0.5303 -0.5303 0.3902 0.3902 0.5410 0.5410 1.2533 1.2533 1.3313 1.3313 1.3908 1.3908 1.6612 1.6612 1.9981 1.9981 2.6094 2.6094 2.6237 2.6237 3.5306 3.5306 3.8340 3.8340 3.9473 3.9473 4.1305 4.1305 4.5326 4.5326 4.8183 4.8183 5.2374 5.2374 5.4569 5.4569 6.7265 6.7265 6.8612 6.8612 6.9448 6.9448 7.1727 7.1727 7.5317 7.5317 7.5942 7.5942 8.3179 8.3179 8.8345 8.8345 8.9892 8.9892 9.4500 9.4500 13.9686 13.9686 k = 0.5978 0.2758-0.4572 ( 3268 PWs) bands (ev): -12.7918 -12.7918 -12.6281 -12.6281 -11.8257 -11.8257 -11.4834 -11.4834 -11.4068 -11.4068 -11.2458 -11.2458 -0.5265 -0.5265 0.3745 0.3745 0.5529 0.5529 1.2262 1.2262 1.3272 1.3272 1.4036 1.4036 1.6583 1.6583 1.9923 1.9923 2.6264 2.6264 2.6413 2.6413 3.5329 3.5329 3.8374 3.8374 3.9315 3.9315 4.1510 4.1510 4.4956 4.4956 4.8167 4.8167 5.2540 5.2540 5.4314 5.4314 6.7354 6.7354 6.8771 6.8771 6.9563 6.9563 7.1753 7.1753 7.5297 7.5297 7.5931 7.5931 8.3304 8.3304 8.8328 8.8328 8.9947 8.9947 9.4366 9.4366 13.9607 13.9607 k = 0.6086 0.2809-0.4455 ( 3270 PWs) bands (ev): -12.7871 -12.7871 -12.6406 -12.6406 -11.8201 -11.8201 -11.4800 -11.4800 -11.4048 -11.4048 -11.2472 -11.2472 -0.5222 -0.5222 0.3576 0.3576 0.5659 0.5659 1.1945 1.1945 1.3257 1.3257 1.4172 1.4172 1.6549 1.6549 1.9864 1.9864 2.6305 2.6305 2.6736 2.6736 3.5353 3.5353 3.8425 3.8425 3.9121 3.9121 4.1729 4.1729 4.4605 4.4605 4.8160 4.8160 5.2686 5.2686 5.4045 5.4045 6.7447 6.7447 6.8937 6.8937 6.9686 6.9686 7.1784 7.1784 7.5271 7.5271 7.5916 7.5916 8.3446 8.3446 8.8310 8.8310 9.0008 9.0008 9.4216 9.4216 13.9527 13.9527 k = 0.6195 0.2859-0.4338 ( 3273 PWs) bands (ev): -12.7819 -12.7819 -12.6542 -12.6542 -11.8140 -11.8140 -11.4763 -11.4763 -11.4026 -11.4026 -11.2489 -11.2489 -0.5174 -0.5174 0.3395 0.3395 0.5798 0.5798 1.1603 1.1603 1.3251 1.3251 1.4316 1.4316 1.6508 1.6508 1.9804 1.9804 2.6350 2.6350 2.7067 2.7067 3.5375 3.5375 3.8496 3.8496 3.8892 3.8892 4.1960 4.1960 4.4286 4.4286 4.8154 4.8154 5.2813 5.2813 5.3764 5.3764 6.7543 6.7543 6.9106 6.9106 6.9813 6.9813 7.1819 7.1819 7.5240 7.5240 7.5897 7.5897 8.3602 8.3602 8.8291 8.8291 9.0077 9.0077 9.4051 9.4051 13.9449 13.9449 k = 0.6303 0.2909-0.4220 ( 3277 PWs) bands (ev): -12.7764 -12.7764 -12.6688 -12.6688 -11.8075 -11.8075 -11.4722 -11.4722 -11.4002 -11.4002 -11.2507 -11.2507 -0.5121 -0.5121 0.3205 0.3205 0.5945 0.5945 1.1246 1.1246 1.3245 1.3245 1.4464 1.4464 1.6461 1.6461 1.9745 1.9745 2.6401 2.6401 2.7401 2.7401 3.5394 3.5394 3.8582 3.8582 3.8630 3.8630 4.2202 4.2202 4.4005 4.4005 4.8147 4.8147 5.2921 5.2921 5.3477 5.3477 6.7642 6.7642 6.9275 6.9275 6.9945 6.9945 7.1861 7.1861 7.5204 7.5204 7.5871 7.5871 8.3773 8.3773 8.8272 8.8272 9.0151 9.0151 9.3869 9.3869 13.9374 13.9375 k = 0.6412 0.2959-0.4103 ( 3279 PWs) bands (ev): -12.7704 -12.7704 -12.6845 -12.6845 -11.8004 -11.8004 -11.4678 -11.4678 -11.3976 -11.3976 -11.2528 -11.2528 -0.5063 -0.5063 0.3005 0.3005 0.6099 0.6099 1.0880 1.0880 1.3234 1.3234 1.4612 1.4612 1.6407 1.6407 1.9691 1.9691 2.6460 2.6460 2.7734 2.7734 3.5411 3.5411 3.8322 3.8322 3.8702 3.8702 4.2454 4.2454 4.3767 4.3767 4.8135 4.8135 5.3009 5.3009 5.3192 5.3192 6.7743 6.7743 6.9441 6.9441 7.0079 7.0079 7.1909 7.1909 7.5162 7.5162 7.5839 7.5839 8.3958 8.3958 8.8253 8.8253 9.0233 9.0233 9.3674 9.3674 13.9307 13.9307 k = 0.6412 0.2959-0.4103 ( 3279 PWs) bands (ev): -12.7704 -12.7704 -12.6845 -12.6845 -11.8004 -11.8004 -11.4678 -11.4678 -11.3976 -11.3976 -11.2528 -11.2528 -0.5063 -0.5063 0.3005 0.3005 0.6099 0.6099 1.0880 1.0880 1.3234 1.3234 1.4612 1.4612 1.6407 1.6407 1.9691 1.9691 2.6460 2.6460 2.7734 2.7734 3.5411 3.5411 3.8322 3.8322 3.8702 3.8702 4.2454 4.2454 4.3767 4.3767 4.8135 4.8135 5.3009 5.3009 5.3192 5.3192 6.7743 6.7743 6.9441 6.9441 7.0079 7.0079 7.1909 7.1909 7.5162 7.5162 7.5839 7.5839 8.3958 8.3958 8.8253 8.8253 9.0233 9.0233 9.3674 9.3674 13.9307 13.9307 k = 0.6370 0.2940-0.3938 ( 3281 PWs) bands (ev): -12.7705 -12.7705 -12.6985 -12.6985 -11.7923 -11.7923 -11.4645 -11.4645 -11.3923 -11.3923 -11.2514 -11.2514 -0.5031 -0.5031 0.2850 0.2850 0.6208 0.6208 1.0498 1.0498 1.3292 1.3292 1.4607 1.4607 1.6310 1.6310 1.9755 1.9755 2.6391 2.6391 2.8140 2.8140 3.5602 3.5602 3.8158 3.8158 3.8789 3.8789 4.2550 4.2550 4.3584 4.3584 4.8208 4.8208 5.2880 5.2880 5.2993 5.2993 6.7766 6.7766 6.9531 6.9531 7.0149 7.0149 7.1990 7.1990 7.5167 7.5167 7.5837 7.5837 8.4098 8.4098 8.8214 8.8214 9.0279 9.0279 9.3554 9.3554 13.9290 13.9290 k = 0.6329 0.2921-0.3772 ( 3285 PWs) bands (ev): -12.7726 -12.7726 -12.7127 -12.7127 -11.7820 -11.7820 -11.4608 -11.4608 -11.3868 -11.3868 -11.2498 -11.2498 -0.4992 -0.4992 0.2667 0.2667 0.6307 0.6307 1.0128 1.0128 1.3327 1.3327 1.4559 1.4559 1.6249 1.6249 1.9784 1.9784 2.6390 2.6390 2.8541 2.8541 3.5752 3.5752 3.7971 3.7971 3.8912 3.8912 4.2676 4.2676 4.3434 4.3434 4.8296 4.8296 5.2604 5.2604 5.2922 5.2922 6.7803 6.7803 6.9618 6.9618 7.0221 7.0221 7.2077 7.2077 7.5165 7.5165 7.5827 7.5827 8.4248 8.4248 8.8180 8.8180 9.0317 9.0317 9.3426 9.3426 13.9264 13.9264 k = 0.6287 0.2901-0.3607 ( 3283 PWs) bands (ev): -12.7765 -12.7765 -12.7272 -12.7272 -11.7697 -11.7697 -11.4569 -11.4569 -11.3809 -11.3809 -11.2481 -11.2481 -0.4946 -0.4946 0.2458 0.2458 0.6395 0.6395 0.9780 0.9780 1.3327 1.3327 1.4472 1.4472 1.6227 1.6227 1.9777 1.9777 2.6457 2.6457 2.8935 2.8935 3.5854 3.5854 3.7763 3.7763 3.9074 3.9074 4.2830 4.2830 4.3318 4.3318 4.8395 4.8395 5.2307 5.2307 5.2860 5.2860 6.7852 6.7852 6.9704 6.9704 7.0295 7.0295 7.2168 7.2168 7.5155 7.5155 7.5809 7.5809 8.4408 8.4408 8.8151 8.8151 9.0347 9.0347 9.3293 9.3293 13.9227 13.9227 k = 0.6246 0.2882-0.3442 ( 3278 PWs) bands (ev): -12.7821 -12.7821 -12.7419 -12.7419 -11.7554 -11.7554 -11.4526 -11.4526 -11.3749 -11.3749 -11.2463 -11.2463 -0.4893 -0.4893 0.2223 0.2223 0.6472 0.6472 0.9459 0.9459 1.3286 1.3286 1.4349 1.4349 1.6245 1.6245 1.9737 1.9737 2.6588 2.6588 2.9316 2.9316 3.5908 3.5908 3.7536 3.7536 3.9275 3.9275 4.3009 4.3009 4.3238 4.3238 4.8506 4.8506 5.2003 5.2003 5.2798 5.2798 6.7913 6.7913 6.9788 6.9788 7.0371 7.0371 7.2261 7.2261 7.5136 7.5136 7.5782 7.5782 8.4575 8.4575 8.8127 8.8127 9.0371 9.0371 9.3153 9.3153 13.9181 13.9181 k = 0.6204 0.2863-0.3276 ( 3278 PWs) bands (ev): -12.7892 -12.7892 -12.7567 -12.7567 -11.7395 -11.7395 -11.4481 -11.4481 -11.3686 -11.3686 -11.2443 -11.2443 -0.4833 -0.4833 0.1967 0.1967 0.6538 0.6538 0.9166 0.9166 1.3203 1.3203 1.4192 1.4192 1.6303 1.6303 1.9670 1.9670 2.6773 2.6773 2.9682 2.9682 3.5915 3.5915 3.7295 3.7295 3.9508 3.9508 4.3150 4.3150 4.3253 4.3253 4.8626 4.8626 5.1698 5.1698 5.2739 5.2739 6.7984 6.7984 6.9872 6.9872 7.0448 7.0448 7.2355 7.2355 7.5108 7.5108 7.5747 7.5747 8.4749 8.4749 8.8107 8.8107 9.0387 9.0387 9.3008 9.3008 13.9126 13.9126 k = 0.6163 0.2844-0.3111 ( 3278 PWs) bands (ev): -12.7976 -12.7976 -12.7716 -12.7716 -11.7221 -11.7221 -11.4433 -11.4433 -11.3622 -11.3622 -11.2423 -11.2423 -0.4768 -0.4768 0.1691 0.1691 0.6593 0.6593 0.8903 0.8903 1.3079 1.3079 1.4004 1.4004 1.6397 1.6397 1.9585 1.9585 2.7006 2.7006 3.0028 3.0028 3.5880 3.5880 3.7042 3.7042 3.9766 3.9766 4.3137 4.3137 4.3475 4.3475 4.8755 4.8755 5.1394 5.1394 5.2683 5.2683 6.8066 6.8066 6.9955 6.9955 7.0527 7.0527 7.2449 7.2449 7.5070 7.5070 7.5702 7.5702 8.4929 8.4929 8.8092 8.8092 9.0397 9.0397 9.2859 9.2859 13.9063 13.9063 k = 0.6121 0.2825-0.2945 ( 3276 PWs) bands (ev): -12.8070 -12.8070 -12.7865 -12.7865 -11.7036 -11.7036 -11.4383 -11.4383 -11.3556 -11.3556 -11.2403 -11.2403 -0.4697 -0.4697 0.1401 0.1401 0.6637 0.6637 0.8668 0.8668 1.2920 1.2920 1.3786 1.3786 1.6520 1.6520 1.9490 1.9490 2.7275 2.7275 3.0353 3.0353 3.5811 3.5811 3.6782 3.6782 4.0039 4.0039 4.3130 4.3130 4.3739 4.3739 4.8893 4.8893 5.1097 5.1097 5.2633 5.2633 6.8157 6.8157 7.0039 7.0039 7.0606 7.0606 7.2542 7.2542 7.5023 7.5023 7.5650 7.5650 8.5113 8.5113 8.8082 8.8082 9.0402 9.0402 9.2707 9.2707 13.8992 13.8992 k = 0.6080 0.2806-0.2780 ( 3278 PWs) bands (ev): -12.8174 -12.8174 -12.8013 -12.8013 -11.6840 -11.6840 -11.4330 -11.4330 -11.3489 -11.3489 -11.2383 -11.2383 -0.4621 -0.4621 0.1099 0.1099 0.6672 0.6672 0.8461 0.8461 1.2730 1.2730 1.3540 1.3540 1.6667 1.6667 1.9393 1.9393 2.7573 2.7573 3.0655 3.0655 3.5713 3.5713 3.6517 3.6517 4.0318 4.0318 4.3135 4.3135 4.4030 4.4030 4.9039 4.9039 5.0811 5.0811 5.2593 5.2593 6.8256 6.8256 7.0124 7.0124 7.0685 7.0685 7.2632 7.2632 7.4966 7.4966 7.5590 7.5590 8.5301 8.5301 8.8076 8.8076 9.0402 9.0402 9.2554 9.2554 13.8913 13.8913 k = 0.6038 0.2786-0.2614 ( 3277 PWs) bands (ev): -12.8284 -12.8284 -12.8160 -12.8160 -11.6636 -11.6636 -11.4274 -11.4274 -11.3422 -11.3422 -11.2363 -11.2363 -0.4541 -0.4541 0.0790 0.0790 0.6697 0.6697 0.8280 0.8280 1.2514 1.2514 1.3269 1.3269 1.6831 1.6831 1.9300 1.9300 2.7891 2.7891 3.0933 3.0933 3.5594 3.5594 3.6253 3.6253 4.0593 4.0593 4.3147 4.3147 4.4345 4.4345 4.9195 4.9195 5.0541 5.0541 5.2563 5.2563 6.8365 6.8365 7.0209 7.0209 7.0766 7.0766 7.2719 7.2719 7.4900 7.4900 7.5522 7.5522 8.5492 8.5492 8.8075 8.8075 9.0396 9.0396 9.2399 9.2399 13.8827 13.8827 k = 0.5997 0.2767-0.2449 ( 3284 PWs) bands (ev): -12.8401 -12.8401 -12.8306 -12.8306 -11.6427 -11.6427 -11.4217 -11.4217 -11.3354 -11.3354 -11.2345 -11.2345 -0.4456 -0.4456 0.0480 0.0480 0.6713 0.6713 0.8120 0.8120 1.2279 1.2279 1.2976 1.2976 1.7006 1.7006 1.9215 1.9215 2.8222 2.8222 3.1188 3.1188 3.5456 3.5456 3.5991 3.5991 4.0856 4.0856 4.3159 4.3159 4.4682 4.4682 4.9362 4.9362 5.0292 5.0292 5.2546 5.2546 6.8480 6.8480 7.0295 7.0295 7.0846 7.0846 7.2800 7.2800 7.4825 7.4825 7.5447 7.5447 8.5683 8.5683 8.8078 8.8078 9.0386 9.0386 9.2244 9.2244 13.8735 13.8735 k = 0.5955 0.2748-0.2283 ( 3286 PWs) bands (ev): -12.8521 -12.8521 -12.8450 -12.8450 -11.6213 -11.6213 -11.4158 -11.4158 -11.3286 -11.3286 -11.2327 -11.2327 -0.4368 -0.4368 0.0170 0.0170 0.6722 0.6722 0.7981 0.7981 1.2026 1.2026 1.2661 1.2661 1.7190 1.7190 1.9144 1.9144 2.8560 2.8560 3.1418 3.1418 3.5306 3.5306 3.5735 3.5735 4.1101 4.1101 4.3163 4.3163 4.5040 4.5040 4.9540 4.9540 5.0069 5.0069 5.2542 5.2542 6.8603 6.8603 7.0382 7.0382 7.0927 7.0927 7.2877 7.2877 7.4742 7.4742 7.5365 7.5365 8.5874 8.5874 8.8086 8.8086 9.0372 9.0372 9.2090 9.2090 13.8636 13.8636 k = 0.5914 0.2729-0.2118 ( 3292 PWs) bands (ev): -12.8643 -12.8643 -12.8592 -12.8592 -11.5997 -11.5997 -11.4096 -11.4096 -11.3218 -11.3218 -11.2311 -11.2311 -0.4277 -0.4277 -0.0134 -0.0134 0.6725 0.6725 0.7860 0.7860 1.1761 1.1761 1.2329 1.2329 1.7377 1.7377 1.9087 1.9087 2.8901 2.8901 3.1626 3.1626 3.5146 3.5146 3.5488 3.5488 4.1319 4.1319 4.3154 4.3154 4.5415 4.5415 4.9732 4.9732 4.9878 4.9878 5.2553 5.2553 6.8732 6.8732 7.0469 7.0469 7.1008 7.1008 7.2946 7.2946 7.4650 7.4650 7.5278 7.5278 8.6065 8.6065 8.8099 8.8099 9.0354 9.0354 9.1938 9.1938 13.8532 13.8532 k = 0.5872 0.2710-0.1952 ( 3289 PWs) bands (ev): -12.8767 -12.8767 -12.8730 -12.8730 -11.5780 -11.5780 -11.4033 -11.4033 -11.3151 -11.3151 -11.2296 -11.2296 -0.4184 -0.4184 -0.0430 -0.0430 0.6722 0.6722 0.7753 0.7753 1.1486 1.1486 1.1983 1.1983 1.7566 1.7566 1.9045 1.9045 2.9240 2.9240 3.1813 3.1813 3.4980 3.4980 3.5253 3.5253 4.1506 4.1506 4.3124 4.3124 4.5805 4.5805 4.9722 4.9722 4.9939 4.9939 5.2576 5.2576 6.8868 6.8868 7.0557 7.0557 7.1091 7.1091 7.3008 7.3008 7.4552 7.4552 7.5185 7.5185 8.6256 8.6256 8.8116 8.8116 9.0333 9.0333 9.1787 9.1787 13.8423 13.8423 k = 0.5831 0.2691-0.1787 ( 3290 PWs) bands (ev): -12.8891 -12.8891 -12.8865 -12.8865 -11.5564 -11.5564 -11.3969 -11.3969 -11.3086 -11.3086 -11.2283 -11.2283 -0.4089 -0.4089 -0.0715 -0.0715 0.6716 0.6716 0.7661 0.7661 1.1203 1.1203 1.1626 1.1626 1.7753 1.7753 1.9019 1.9019 2.9575 2.9575 3.1980 3.1980 3.4811 3.4811 3.5030 3.5030 4.1656 4.1656 4.3070 4.3070 4.6206 4.6206 4.9609 4.9609 5.0159 5.0159 5.2613 5.2613 6.9010 6.9010 7.0644 7.0644 7.1173 7.1173 7.3063 7.3063 7.4447 7.4447 7.5087 7.5087 8.6444 8.6444 8.8138 8.8138 9.0309 9.0309 9.1639 9.1639 13.8310 13.8311 k = 0.5789 0.2672-0.1622 ( 3296 PWs) bands (ev): -12.9014 -12.9014 -12.8997 -12.8997 -11.5350 -11.5350 -11.3903 -11.3903 -11.3021 -11.3021 -11.2273 -11.2273 -0.3994 -0.3994 -0.0987 -0.0987 0.6707 0.6707 0.7579 0.7579 1.0914 1.0914 1.1260 1.1260 1.7936 1.7936 1.9008 1.9008 2.9901 2.9901 3.2130 3.2130 3.4641 3.4641 3.4821 3.4821 4.1765 4.1765 4.2990 4.2990 4.6616 4.6616 4.9540 4.9540 5.0393 5.0393 5.2660 5.2660 6.9156 6.9156 7.0731 7.0731 7.1255 7.1255 7.3108 7.3108 7.4336 7.4336 7.4986 7.4986 8.6631 8.6631 8.8164 8.8164 9.0283 9.0283 9.1493 9.1493 13.8194 13.8194 k = 0.5748 0.2652-0.1456 ( 3297 PWs) bands (ev): -12.9135 -12.9135 -12.9124 -12.9124 -11.5139 -11.5139 -11.3835 -11.3835 -11.2959 -11.2959 -11.2265 -11.2265 -0.3898 -0.3898 -0.1243 -0.1243 0.6697 0.6697 0.7508 0.7508 1.0623 1.0623 1.0890 1.0890 1.8114 1.8114 1.9011 1.9011 3.0218 3.0218 3.2264 3.2264 3.4474 3.4474 3.4629 3.4629 4.1830 4.1830 4.2882 4.2882 4.7032 4.7032 4.9519 4.9519 5.0639 5.0639 5.2716 5.2716 6.9308 6.9308 7.0818 7.0818 7.1337 7.1337 7.3145 7.3145 7.4220 7.4220 7.4881 7.4881 8.6814 8.6814 8.8195 8.8195 9.0254 9.0254 9.1351 9.1351 13.8075 13.8075 k = 0.5706 0.2633-0.1291 ( 3296 PWs) bands (ev): -12.9253 -12.9253 -12.9246 -12.9246 -11.4933 -11.4933 -11.3767 -11.3767 -11.2899 -11.2899 -11.2260 -11.2260 -0.3803 -0.3803 -0.1483 -0.1483 0.6686 0.6686 0.7445 0.7445 1.0329 1.0329 1.0519 1.0519 1.8285 1.8285 1.9026 1.9026 3.0523 3.0523 3.2384 3.2384 3.4312 3.4312 3.4453 3.4453 4.1851 4.1851 4.2747 4.2747 4.7450 4.7450 4.9545 4.9545 5.0893 5.0893 5.2779 5.2779 6.9465 6.9465 7.0904 7.0904 7.1420 7.1420 7.3172 7.3172 7.4101 7.4101 7.4774 7.4774 8.6995 8.6995 8.8229 8.8229 9.0222 9.0222 9.1211 9.1211 13.7954 13.7955 k = 0.5664 0.2614-0.1125 ( 3295 PWs) bands (ev): -12.9367 -12.9367 -12.9364 -12.9364 -11.4731 -11.4731 -11.3698 -11.3698 -11.2842 -11.2842 -11.2257 -11.2257 -0.3710 -0.3710 -0.1705 -0.1705 0.6675 0.6675 0.7389 0.7389 1.0036 1.0036 1.0150 1.0150 1.8448 1.8448 1.9052 1.9052 3.0815 3.0815 3.2492 3.2492 3.4158 3.4158 3.4294 3.4294 4.1831 4.1831 4.2587 4.2587 4.7868 4.7868 4.9616 4.9616 5.1152 5.1152 5.2846 5.2846 6.9625 6.9625 7.0988 7.0988 7.1501 7.1501 7.3190 7.3190 7.3978 7.3978 7.4666 7.4666 8.7171 8.7171 8.8268 8.8268 9.0189 9.0189 9.1075 9.1075 13.7833 13.7845 k = 0.5623 0.2595-0.0960 ( 3293 PWs) bands (ev): -12.9478 -12.9478 -12.9475 -12.9475 -11.4536 -11.4536 -11.3629 -11.3629 -11.2788 -11.2788 -11.2258 -11.2258 -0.3618 -0.3618 -0.1908 -0.1908 0.6666 0.6666 0.7339 0.7339 0.9745 0.9745 0.9787 0.9787 1.8601 1.8601 1.9087 1.9087 3.1093 3.1093 3.2590 3.2590 3.4013 3.4013 3.4151 3.4151 4.1771 4.1771 4.2405 4.2405 4.8284 4.8284 4.9730 4.9730 5.1412 5.1412 5.2914 5.2914 6.9788 6.9788 7.1071 7.1071 7.1583 7.1583 7.3199 7.3199 7.3854 7.3854 7.4557 7.4557 8.7344 8.7344 8.8311 8.8311 9.0154 9.0154 9.0942 9.0942 13.7710 13.7710 k = 0.5581 0.2576-0.0794 ( 3290 PWs) bands (ev): -12.9584 -12.9584 -12.9581 -12.9581 -11.4348 -11.4348 -11.3559 -11.3559 -11.2738 -11.2738 -11.2261 -11.2261 -0.3530 -0.3530 -0.2091 -0.2091 0.6659 0.6659 0.7293 0.7293 0.9431 0.9431 0.9460 0.9460 1.8744 1.8744 1.9128 1.9128 3.1356 3.1356 3.2679 3.2679 3.3878 3.3878 3.4026 3.4026 4.1678 4.1678 4.2204 4.2204 4.8694 4.8694 4.9880 4.9880 5.1666 5.1666 5.2982 5.2982 6.9954 6.9954 7.1152 7.1152 7.1663 7.1663 7.3199 7.3199 7.3728 7.3728 7.4447 7.4447 8.7514 8.7514 8.8358 8.8358 9.0117 9.0117 9.0813 9.0813 13.7597 13.7704 k = 0.5540 0.2557-0.0629 ( 3289 PWs) bands (ev): -12.9685 -12.9685 -12.9682 -12.9682 -11.4167 -11.4167 -11.3489 -11.3489 -11.2691 -11.2691 -11.2268 -11.2268 -0.3446 -0.3446 -0.2256 -0.2256 0.6654 0.6654 0.7252 0.7252 0.9089 0.9089 0.9179 0.9179 1.8876 1.8876 1.9174 1.9174 3.1604 3.1604 3.2762 3.2762 3.3755 3.3755 3.3917 3.3917 4.1556 4.1556 4.1990 4.1990 4.9096 4.9096 5.0061 5.0061 5.1912 5.1912 5.3047 5.3047 7.0122 7.0122 7.1232 7.1232 7.1742 7.1742 7.3189 7.3189 7.3603 7.3603 7.4339 7.4339 8.7678 8.7678 8.8407 8.8407 9.0078 9.0078 9.0686 9.0686 13.7470 13.7475 k = 0.5498 0.2537-0.0463 ( 3287 PWs) bands (ev): -12.9779 -12.9779 -12.9776 -12.9776 -11.3994 -11.3994 -11.3419 -11.3419 -11.2650 -11.2650 -11.2279 -11.2279 -0.3367 -0.3367 -0.2400 -0.2400 0.6652 0.6652 0.7215 0.7215 0.8762 0.8762 0.8905 0.8905 1.8997 1.8997 1.9224 1.9224 3.1836 3.1836 3.2839 3.2839 3.3646 3.3646 3.3824 3.3824 4.1413 4.1413 4.1765 4.1765 4.9489 4.9489 5.0267 5.0267 5.2143 5.2143 5.3107 5.3107 7.0291 7.0291 7.1310 7.1310 7.1819 7.1819 7.3172 7.3172 7.3478 7.3478 7.4231 7.4231 8.7837 8.7837 8.8460 8.8460 9.0037 9.0037 9.0563 9.0563 13.7364 13.7427 k = 0.5457 0.2518-0.0298 ( 3291 PWs) bands (ev): -12.9867 -12.9867 -12.9864 -12.9864 -11.3830 -11.3830 -11.3350 -11.3350 -11.2613 -11.2613 -11.2292 -11.2292 -0.3293 -0.3293 -0.2526 -0.2526 0.6654 0.6654 0.7179 0.7179 0.8453 0.8453 0.8640 0.8640 1.9106 1.9106 1.9276 1.9276 3.2051 3.2051 3.2911 3.2911 3.3550 3.3550 3.3744 3.3744 4.1253 4.1253 4.1535 4.1535 4.9869 4.9869 5.0491 5.0491 5.2357 5.2357 5.3160 5.3160 7.0460 7.0460 7.1387 7.1387 7.1894 7.1894 7.3146 7.3146 7.3354 7.3354 7.4123 7.4123 8.7992 8.7992 8.8516 8.8516 8.9994 8.9994 9.0443 9.0443 13.7241 13.7250 k = 0.5415 0.2499-0.0132 ( 3291 PWs) bands (ev): -12.9948 -12.9948 -12.9945 -12.9945 -11.3675 -11.3675 -11.3281 -11.3281 -11.2582 -11.2582 -11.2309 -11.2309 -0.3226 -0.3226 -0.2632 -0.2632 0.6658 0.6658 0.7146 0.7146 0.8164 0.8164 0.8387 0.8387 1.9204 1.9204 1.9327 1.9327 3.2250 3.2250 3.2979 3.2979 3.3468 3.3468 3.3678 3.3678 4.1083 4.1083 4.1304 4.1304 5.0236 5.0236 5.0726 5.0726 5.2549 5.2549 5.3204 5.3204 7.0628 7.0628 7.1463 7.1463 7.1966 7.1966 7.3114 7.3114 7.3233 7.3233 7.4017 7.4017 8.8141 8.8141 8.8576 8.8576 8.9949 8.9949 9.0326 9.0326 13.7134 13.7161 k = 0.5374 0.2480 0.0033 ( 3296 PWs) bands (ev): -13.0022 -13.0022 -13.0020 -13.0020 -11.3529 -11.3529 -11.3213 -11.3213 -11.2557 -11.2557 -11.2330 -11.2330 -0.3166 -0.3166 -0.2721 -0.2721 0.6666 0.6666 0.7114 0.7114 0.7899 0.7899 0.8145 0.8145 1.9290 1.9290 1.9378 1.9378 3.2433 3.2433 3.3044 3.3044 3.3401 3.3401 3.3621 3.3621 4.0908 4.0908 4.1076 4.1076 5.0587 5.0587 5.0969 5.0969 5.2716 5.2716 5.3237 5.3237 7.0794 7.0794 7.1539 7.1539 7.2036 7.2036 7.3071 7.3071 7.3121 7.3121 7.3911 7.3911 8.8285 8.8285 8.8638 8.8638 8.9901 8.9901 9.0212 9.0212 13.7032 13.7042 k = 0.5332 0.2461 0.0199 ( 3299 PWs) bands (ev): -13.0089 -13.0089 -13.0087 -13.0087 -11.3393 -11.3393 -11.3145 -11.3145 -11.2538 -11.2538 -11.2354 -11.2354 -0.3114 -0.3114 -0.2793 -0.2793 0.6677 0.6677 0.7084 0.7084 0.7660 0.7660 0.7919 0.7919 1.9366 1.9366 1.9426 1.9426 3.2599 3.2599 3.3106 3.3106 3.3349 3.3349 3.3573 3.3573 4.0734 4.0734 4.0858 4.0858 5.0921 5.0921 5.1213 5.1213 5.2855 5.2855 5.3258 5.3258 7.0957 7.0957 7.1614 7.1614 7.2102 7.2102 7.2984 7.2984 7.3053 7.3053 7.3806 7.3806 8.8423 8.8423 8.8702 8.8702 8.9851 8.9851 9.0101 9.0101 13.6940 13.6957 k = 0.5291 0.2442 0.0364 ( 3295 PWs) bands (ev): -13.0149 -13.0149 -13.0147 -13.0147 -11.3267 -11.3267 -11.3079 -11.3079 -11.2526 -11.2526 -11.2381 -11.2381 -0.3069 -0.3069 -0.2849 -0.2849 0.6691 0.6691 0.7054 0.7054 0.7449 0.7449 0.7708 0.7708 1.9431 1.9431 1.9470 1.9470 3.2749 3.2749 3.3164 3.3164 3.3310 3.3310 3.3532 3.3532 4.0565 4.0565 4.0652 4.0652 5.1237 5.1237 5.1455 5.1455 5.2964 5.2964 5.3265 5.3265 7.1115 7.1115 7.1689 7.1689 7.2164 7.2164 7.2874 7.2874 7.3012 7.3012 7.3701 7.3701 8.8556 8.8556 8.8769 8.8769 8.9798 8.9798 8.9993 8.9993 13.6871 13.6892 k = 0.5249 0.2422 0.0529 ( 3300 PWs) bands (ev): -13.0201 -13.0201 -13.0199 -13.0199 -11.3151 -11.3151 -11.3014 -11.3014 -11.2521 -11.2521 -11.2412 -11.2412 -0.3034 -0.3034 -0.2892 -0.2892 0.6708 0.6708 0.7024 0.7024 0.7268 0.7268 0.7516 0.7516 1.9485 1.9485 1.9511 1.9511 3.2882 3.2882 3.3216 3.3216 3.3285 3.3285 3.3496 3.3496 4.0405 4.0405 4.0463 4.0463 5.1532 5.1532 5.1690 5.1690 5.3042 5.3042 5.3256 5.3256 7.1267 7.1267 7.1763 7.1763 7.2221 7.2221 7.2765 7.2765 7.2976 7.2976 7.3597 7.3597 8.8682 8.8682 8.8839 8.8839 8.9742 8.9742 8.9887 8.9887 13.6777 13.6799 k = 0.5208 0.2403 0.0695 ( 3302 PWs) bands (ev): -13.0245 -13.0245 -13.0244 -13.0244 -11.3045 -11.3045 -11.2951 -11.2951 -11.2524 -11.2524 -11.2446 -11.2446 -0.3006 -0.3006 -0.2922 -0.2922 0.6728 0.6728 0.6993 0.6993 0.7118 0.7118 0.7344 0.7344 1.9530 1.9530 1.9546 1.9546 3.2998 3.2998 3.3261 3.3261 3.3273 3.3273 3.3463 3.3463 4.0261 4.0261 4.0296 4.0296 5.1806 5.1806 5.1915 5.1915 5.3087 5.3087 5.3231 5.3231 7.1411 7.1411 7.1835 7.1835 7.2271 7.2271 7.2660 7.2660 7.2946 7.2946 7.3493 7.3493 8.8802 8.8802 8.8911 8.8911 8.9681 8.9681 8.9785 8.9785 13.6703 13.6707 k = 0.5166 0.2384 0.0860 ( 3312 PWs) bands (ev): -13.0281 -13.0281 -13.0280 -13.0280 -11.2949 -11.2949 -11.2890 -11.2890 -11.2535 -11.2535 -11.2484 -11.2484 -0.2986 -0.2986 -0.2942 -0.2942 0.6749 0.6749 0.6959 0.6959 0.7006 0.7006 0.7194 0.7194 1.9566 1.9566 1.9576 1.9576 3.3097 3.3097 3.3268 3.3268 3.3299 3.3299 3.3433 3.3433 4.0135 4.0135 4.0153 4.0153 5.2057 5.2057 5.2126 5.2126 5.3100 5.3100 5.3189 5.3189 7.1545 7.1545 7.1903 7.1903 7.2311 7.2311 7.2562 7.2562 7.2926 7.2926 7.3390 7.3390 8.8915 8.8915 8.8985 8.8985 8.9617 8.9617 8.9686 8.9686 13.6650 13.6652 k = 0.5125 0.2365 0.1026 ( 3312 PWs) bands (ev): -13.0310 -13.0310 -13.0309 -13.0309 -11.2863 -11.2863 -11.2830 -11.2830 -11.2554 -11.2554 -11.2525 -11.2525 -0.2973 -0.2973 -0.2953 -0.2953 0.6773 0.6773 0.6904 0.6904 0.6947 0.6947 0.7069 0.7069 1.9593 1.9593 1.9600 1.9600 3.3180 3.3180 3.3274 3.3274 3.3326 3.3326 3.3404 3.3404 4.0031 4.0031 4.0040 4.0040 5.2282 5.2282 5.2322 5.2322 5.3080 5.3080 5.3128 5.3128 7.1670 7.1670 7.1962 7.1962 7.2338 7.2338 7.2473 7.2473 7.2921 7.2921 7.3290 7.3290 8.9023 8.9023 8.9062 8.9062 8.9549 8.9549 8.9590 8.9590 13.6600 13.6602 k = 0.5083 0.2346 0.1191 ( 3316 PWs) bands (ev): -13.0330 -13.0330 -13.0329 -13.0329 -11.2788 -11.2788 -11.2773 -11.2773 -11.2582 -11.2582 -11.2568 -11.2568 -0.2966 -0.2966 -0.2959 -0.2959 0.6797 0.6797 0.6855 0.6855 0.6915 0.6915 0.6970 0.6970 1.9613 1.9613 1.9617 1.9617 3.3246 3.3246 3.3286 3.3286 3.3340 3.3340 3.3376 3.3376 3.9954 3.9954 3.9957 3.9957 5.2481 5.2481 5.2498 5.2498 5.3030 5.3030 5.3049 5.3049 7.1782 7.1782 7.2000 7.2000 7.2351 7.2351 7.2401 7.2401 7.2937 7.2937 7.3195 7.3195 8.9123 8.9123 8.9141 8.9141 8.9477 8.9477 8.9498 8.9498 13.6566 13.6567 k = 0.5042 0.2327 0.1357 ( 3330 PWs) bands (ev): -13.0342 -13.0342 -13.0342 -13.0342 -11.2723 -11.2723 -11.2719 -11.2719 -11.2618 -11.2618 -11.2615 -11.2615 -0.2963 -0.2963 -0.2960 -0.2960 0.6821 0.6821 0.6834 0.6834 0.6887 0.6887 0.6899 0.6899 1.9625 1.9625 1.9627 1.9627 3.3294 3.3294 3.3304 3.3304 3.3340 3.3340 3.3350 3.3350 3.9906 3.9906 3.9907 3.9907 5.2646 5.2646 5.2650 5.2650 5.2953 5.2953 5.2958 5.2958 7.1880 7.1880 7.2001 7.2001 7.2349 7.2349 7.2358 7.2358 7.2974 7.2974 7.3108 7.3108 8.9214 8.9214 8.9219 8.9219 8.9402 8.9402 8.9410 8.9410 13.6545 13.6546 k = 0.5000 0.2307 0.1522 ( 3332 PWs) bands (ev): -13.0346 -13.0346 -13.0346 -13.0346 -11.2676 -11.2676 -11.2676 -11.2676 -11.2656 -11.2656 -11.2656 -11.2656 -0.2961 -0.2961 -0.2961 -0.2961 0.6836 0.6836 0.6836 0.6836 0.6869 0.6869 0.6870 0.6870 1.9629 1.9629 1.9629 1.9629 3.3323 3.3323 3.3324 3.3324 3.3326 3.3326 3.3328 3.3328 3.9890 3.9890 3.9890 3.9890 5.2735 5.2735 5.2735 5.2735 5.2893 5.2893 5.2893 5.2893 7.1955 7.1955 7.1961 7.1961 7.2343 7.2343 7.2348 7.2348 7.3030 7.3030 7.3036 7.3036 8.9272 8.9272 8.9277 8.9277 8.9347 8.9347 8.9352 8.9352 13.6539 13.6539 k = 0.5000-0.4264-0.2813 ( 3276 PWs) bands (ev): -12.7679 -12.7679 -12.7679 -12.7679 -11.5421 -11.5421 -11.5420 -11.5420 -11.3673 -11.3673 -11.3673 -11.3673 -0.1950 -0.1950 -0.1950 -0.1950 0.7191 0.7191 0.7191 0.7191 1.4981 1.4981 1.4981 1.4981 1.7991 1.7991 1.7992 1.7992 2.7602 2.7602 2.7602 2.7602 3.4235 3.4235 3.4235 3.4235 4.3965 4.3965 4.3966 4.3966 4.4807 4.4807 4.4808 4.4808 5.3718 5.3718 5.3719 5.3719 7.0643 7.0643 7.0648 7.0648 7.1883 7.1883 7.1889 7.1889 7.4289 7.4289 7.4294 7.4294 8.8673 8.8673 8.8677 8.8677 8.9639 8.9639 8.9644 8.9644 13.8732 13.8732 k = 0.5123-0.4163-0.2747 ( 3274 PWs) bands (ev): -12.7682 -12.7682 -12.7672 -12.7672 -11.5544 -11.5544 -11.5302 -11.5302 -11.3729 -11.3729 -11.3617 -11.3617 -0.2168 -0.2168 -0.1727 -0.1727 0.7123 0.7123 0.7268 0.7268 1.4830 1.4830 1.5137 1.5137 1.7914 1.7914 1.8051 1.8051 2.7516 2.7516 2.7705 2.7705 3.4077 3.4077 3.4390 3.4390 4.3894 4.3894 4.3974 4.3974 4.4707 4.4707 4.4966 4.4966 5.3589 5.3589 5.3838 5.3838 7.0543 7.0543 7.0741 7.0741 7.1830 7.1830 7.1934 7.1934 7.4239 7.4239 7.4351 7.4351 8.8415 8.8415 8.8935 8.8935 8.9555 8.9555 8.9728 8.9728 13.8640 13.8644 k = 0.5246-0.4063-0.2680 ( 3276 PWs) bands (ev): -12.7682 -12.7682 -12.7663 -12.7663 -11.5671 -11.5671 -11.5188 -11.5188 -11.3784 -11.3784 -11.3561 -11.3561 -0.2380 -0.2380 -0.1498 -0.1498 0.7064 0.7064 0.7355 0.7355 1.4683 1.4683 1.5298 1.5298 1.7821 1.7821 1.8091 1.8091 2.7450 2.7450 2.7822 2.7822 3.3918 3.3918 3.4542 3.4542 4.3750 4.3750 4.3943 4.3943 4.4674 4.4674 4.5157 4.5157 5.3451 5.3451 5.3946 5.3946 7.0435 7.0435 7.0830 7.0830 7.1765 7.1765 7.1970 7.1970 7.4194 7.4194 7.4415 7.4415 8.8156 8.8156 8.9193 8.9193 8.9469 8.9469 8.9813 8.9813 13.8553 13.8553 k = 0.5368-0.3963-0.2614 ( 3281 PWs) bands (ev): -12.7679 -12.7679 -12.7651 -12.7651 -11.5802 -11.5802 -11.5079 -11.5079 -11.3838 -11.3838 -11.3504 -11.3504 -0.2585 -0.2585 -0.1264 -0.1264 0.7012 0.7012 0.7453 0.7453 1.4541 1.4541 1.5463 1.5463 1.7714 1.7714 1.8112 1.8112 2.7402 2.7402 2.7950 2.7950 3.3759 3.3759 3.4690 3.4690 4.3551 4.3551 4.3892 4.3892 4.4689 4.4689 4.5361 4.5361 5.3309 5.3309 5.4041 5.4041 7.0323 7.0323 7.0909 7.0909 7.1693 7.1693 7.1997 7.1997 7.4158 7.4158 7.4484 7.4484 8.7897 8.7897 8.9367 8.9367 8.9463 8.9463 8.9895 8.9895 13.8482 13.8482 k = 0.5491-0.3862-0.2548 ( 3289 PWs) bands (ev): -12.7672 -12.7672 -12.7637 -12.7637 -11.5935 -11.5935 -11.4975 -11.4975 -11.3892 -11.3892 -11.3447 -11.3447 -0.2783 -0.2783 -0.1026 -0.1026 0.6967 0.6967 0.7561 0.7561 1.4403 1.4403 1.5632 1.5632 1.7595 1.7595 1.8113 1.8113 2.7374 2.7374 2.8085 2.8085 3.3603 3.3603 3.4835 3.4835 4.3319 4.3319 4.3835 4.3835 4.4726 4.4726 4.5568 4.5568 5.3164 5.3164 5.4121 5.4121 7.0206 7.0206 7.0978 7.0978 7.1616 7.1616 7.2012 7.2012 7.4132 7.4132 7.4557 7.4557 8.7642 8.7642 8.9288 8.9288 8.9708 8.9708 8.9977 8.9977 13.8424 13.8424 k = 0.5614-0.3762-0.2482 ( 3287 PWs) bands (ev): -12.7661 -12.7661 -12.7621 -12.7621 -11.6072 -11.6072 -11.4877 -11.4877 -11.3944 -11.3944 -11.3390 -11.3390 -0.2974 -0.2974 -0.0785 -0.0785 0.6928 0.6928 0.7680 0.7680 1.4270 1.4270 1.5804 1.5804 1.7469 1.7469 1.8093 1.8093 2.7365 2.7365 2.8222 2.8222 3.3455 3.3455 3.4977 3.4977 4.3069 4.3069 4.3777 4.3777 4.4769 4.4769 4.5774 4.5774 5.3020 5.3020 5.4185 5.4185 7.0085 7.0085 7.1034 7.1034 7.1536 7.1536 7.2017 7.2017 7.4118 7.4118 7.4632 7.4632 8.7389 8.7389 8.9203 8.9203 8.9942 8.9942 9.0072 9.0072 13.8380 13.8380 k = 0.5737-0.3662-0.2416 ( 3285 PWs) bands (ev): -12.7646 -12.7646 -12.7604 -12.7604 -11.6210 -11.6210 -11.4784 -11.4784 -11.3996 -11.3996 -11.3334 -11.3334 -0.3157 -0.3157 -0.0541 -0.0541 0.6894 0.6894 0.7810 0.7810 1.4142 1.4142 1.5979 1.5979 1.7337 1.7337 1.8055 1.8055 2.7373 2.7373 2.8354 2.8354 3.3318 3.3318 3.5117 3.5117 4.2807 4.2807 4.3722 4.3722 4.4808 4.4808 4.5974 4.5974 5.2882 5.2882 5.4234 5.4234 6.9961 6.9961 7.1073 7.1073 7.1457 7.1457 7.2012 7.2012 7.4115 7.4115 7.4710 7.4710 8.7140 8.7140 8.9119 8.9119 9.0083 9.0083 9.0252 9.0252 13.8349 13.8350 k = 0.5859-0.3561-0.2350 ( 3287 PWs) bands (ev): -12.7628 -12.7628 -12.7585 -12.7585 -11.6349 -11.6349 -11.4696 -11.4696 -11.4047 -11.4047 -11.3277 -11.3277 -0.3333 -0.3333 -0.0296 -0.0296 0.6864 0.6864 0.7952 0.7952 1.4018 1.4018 1.6151 1.6151 1.7208 1.7208 1.7998 1.7998 2.7397 2.7397 2.8474 2.8474 3.3199 3.3199 3.5257 3.5257 4.2537 4.2537 4.3671 4.3671 4.4835 4.4835 4.6168 4.6168 5.2752 5.2752 5.4266 5.4266 6.9833 6.9833 7.1086 7.1086 7.1385 7.1385 7.1999 7.1999 7.4125 7.4125 7.4788 7.4788 8.6894 8.6894 8.9037 8.9037 9.0159 9.0159 9.0490 9.0490 13.8333 13.8333 k = 0.5982-0.3461-0.2283 ( 3288 PWs) bands (ev): -12.7605 -12.7605 -12.7567 -12.7567 -11.6489 -11.6489 -11.4614 -11.4614 -11.4097 -11.4097 -11.3222 -11.3222 -0.3501 -0.3501 -0.0049 -0.0049 0.6835 0.6835 0.8105 0.8105 1.3900 1.3900 1.6310 1.6310 1.7092 1.7092 1.7925 1.7925 2.7432 2.7432 2.8575 2.8575 3.3105 3.3105 3.5397 3.5397 4.2263 4.2263 4.3625 4.3625 4.4846 4.4846 4.6354 4.6354 5.2635 5.2635 5.4282 5.4282 6.9702 6.9702 7.1064 7.1064 7.1330 7.1330 7.1981 7.1981 7.4147 7.4147 7.4866 7.4866 8.6654 8.6654 8.8958 8.8958 9.0221 9.0221 9.0732 9.0732 13.8331 13.8331 k = 0.6105-0.3361-0.2217 ( 3291 PWs) bands (ev): -12.7579 -12.7579 -12.7548 -12.7548 -11.6628 -11.6628 -11.4538 -11.4538 -11.4145 -11.4145 -11.3167 -11.3167 -0.3661 -0.3661 0.0198 0.0198 0.6809 0.6809 0.8268 0.8268 1.3787 1.3787 1.6428 1.6428 1.7021 1.7021 1.7838 1.7838 2.7478 2.7478 2.8646 2.8646 3.3043 3.3043 3.5539 3.5539 4.1986 4.1986 4.3585 4.3585 4.4837 4.4837 4.6532 4.6532 5.2535 5.2535 5.4281 5.4281 6.9569 6.9569 7.1004 7.1004 7.1292 7.1292 7.1960 7.1960 7.4180 7.4180 7.4945 7.4945 8.6418 8.6418 8.8882 8.8882 9.0274 9.0274 9.0972 9.0972 13.8342 13.8342 k = 0.6228-0.3260-0.2151 ( 3289 PWs) bands (ev): -12.7548 -12.7548 -12.7531 -12.7531 -11.6766 -11.6766 -11.4467 -11.4467 -11.4193 -11.4193 -11.3112 -11.3112 -0.3812 -0.3812 0.0444 0.0444 0.6782 0.6782 0.8441 0.8441 1.3680 1.3680 1.6449 1.6449 1.7051 1.7051 1.7739 1.7739 2.7531 2.7531 2.8680 2.8680 3.3021 3.3021 3.5686 3.5686 4.1707 4.1707 4.3551 4.3551 4.4803 4.4803 4.6701 4.6701 5.2453 5.2453 5.4265 5.4265 6.9434 6.9434 7.0918 7.0918 7.1259 7.1259 7.1939 7.1939 7.4224 7.4224 7.5023 7.5023 8.6189 8.6189 8.8809 8.8809 9.0320 9.0320 9.1208 9.1208 13.8367 13.8367 k = 0.6351-0.3160-0.2085 ( 3289 PWs) bands (ev): -12.7515 -12.7515 -12.7513 -12.7513 -11.6902 -11.6902 -11.4402 -11.4402 -11.4239 -11.4239 -11.3059 -11.3059 -0.3956 -0.3956 0.0687 0.0687 0.6755 0.6755 0.8625 0.8625 1.3580 1.3580 1.6371 1.6371 1.7183 1.7183 1.7630 1.7630 2.7587 2.7587 2.8671 2.8671 3.3044 3.3044 3.5837 3.5837 4.1428 4.1428 4.3523 4.3523 4.4744 4.4744 4.6861 4.6861 5.2394 5.2394 5.4234 5.4234 6.9297 6.9297 7.0819 7.0819 7.1217 7.1217 7.1921 7.1921 7.4278 7.4278 7.5100 7.5100 8.5967 8.5967 8.8740 8.8740 9.0359 9.0359 9.1439 9.1439 13.8404 13.8404 k = 0.6473-0.3060-0.2019 ( 3287 PWs) bands (ev): -12.7500 -12.7500 -12.7476 -12.7476 -11.7035 -11.7035 -11.4344 -11.4344 -11.4282 -11.4282 -11.3006 -11.3006 -0.4092 -0.4092 0.0928 0.0928 0.6726 0.6726 0.8816 0.8816 1.3486 1.3486 1.6248 1.6248 1.7366 1.7366 1.7516 1.7516 2.7644 2.7644 2.8615 2.8615 3.3114 3.3114 3.5996 3.5996 4.1150 4.1150 4.3502 4.3502 4.4657 4.4657 4.7012 4.7012 5.2359 5.2359 5.4188 5.4188 6.9159 6.9159 7.0712 7.0712 7.1163 7.1163 7.1907 7.1907 7.4340 7.4340 7.5175 7.5175 8.5751 8.5751 8.8675 8.8675 9.0391 9.0391 9.1665 9.1665 13.8452 13.8452 k = 0.6596-0.2960-0.1952 ( 3282 PWs) bands (ev): -12.7489 -12.7489 -12.7434 -12.7434 -11.7163 -11.7163 -11.4333 -11.4333 -11.4281 -11.4281 -11.2955 -11.2955 -0.4219 -0.4219 0.1164 0.1164 0.6694 0.6694 0.9016 0.9016 1.3400 1.3400 1.6107 1.6107 1.7384 1.7384 1.7584 1.7584 2.7698 2.7698 2.8515 2.8515 3.3230 3.3230 3.6163 3.6163 4.0875 4.0875 4.3486 4.3486 4.4542 4.4542 4.7153 4.7153 5.2348 5.2348 5.4129 5.4129 6.9020 6.9020 7.0601 7.0601 7.1095 7.1095 7.1898 7.1898 7.4409 7.4409 7.5248 7.5248 8.5543 8.5543 8.8614 8.8614 9.0415 9.0415 9.1885 9.1885 13.8511 13.8511 k = 0.6719-0.2859-0.1886 ( 3284 PWs) bands (ev): -12.7482 -12.7482 -12.7388 -12.7388 -11.7287 -11.7287 -11.4372 -11.4372 -11.4233 -11.4233 -11.2906 -11.2906 -0.4339 -0.4339 0.1394 0.1394 0.6658 0.6658 0.9221 0.9221 1.3322 1.3322 1.5960 1.5960 1.7261 1.7261 1.7804 1.7804 2.7746 2.7746 2.8374 2.8374 3.3387 3.3387 3.6340 3.6340 4.0603 4.0603 4.3477 4.3477 4.4400 4.4400 4.7285 4.7285 5.2362 5.2362 5.4057 5.4057 6.8881 6.8881 7.0487 7.0487 7.1014 7.1014 7.1893 7.1893 7.4483 7.4483 7.5320 7.5320 8.5343 8.5343 8.8557 8.8557 9.0432 9.0432 9.2098 9.2098 13.8579 13.8579 k = 0.6842-0.2759-0.1820 ( 3284 PWs) bands (ev): -12.7479 -12.7479 -12.7339 -12.7339 -11.7404 -11.7404 -11.4413 -11.4413 -11.4188 -11.4188 -11.2857 -11.2857 -0.4450 -0.4450 0.1617 0.1617 0.6618 0.6618 0.9430 0.9430 1.3254 1.3254 1.5810 1.5810 1.7135 1.7135 1.8033 1.8033 2.7787 2.7787 2.8198 2.8198 3.3579 3.3579 3.6527 3.6527 4.0335 4.0335 4.3475 4.3475 4.4234 4.4234 4.7409 4.7409 5.2398 5.2398 5.3973 5.3973 6.8742 6.8742 7.0371 7.0371 7.0923 7.0923 7.1890 7.1890 7.4561 7.4561 7.5388 7.5388 8.5151 8.5151 8.8505 8.8505 9.0441 9.0441 9.2304 9.2304 13.8654 13.8654 k = 0.6964-0.2659-0.1754 ( 3284 PWs) bands (ev): -12.7481 -12.7481 -12.7287 -12.7287 -11.7514 -11.7514 -11.4452 -11.4452 -11.4148 -11.4148 -11.2810 -11.2810 -0.4554 -0.4554 0.1832 0.1832 0.6573 0.6573 0.9641 0.9641 1.3197 1.3197 1.5660 1.5660 1.7011 1.7011 1.8266 1.8266 2.7818 2.7818 2.7996 2.7996 3.3798 3.3798 3.6724 3.6724 4.0074 4.0074 4.3478 4.3478 4.4047 4.4047 4.7523 4.7523 5.2454 5.2454 5.3879 5.3879 6.8604 6.8604 7.0254 7.0254 7.0825 7.0825 7.1889 7.1889 7.4642 7.4642 7.5455 7.5455 8.4968 8.4968 8.8457 8.8457 9.0442 9.0442 9.2503 9.2503 13.8735 13.8735 k = 0.7087-0.2558-0.1688 ( 3284 PWs) bands (ev): -12.7489 -12.7489 -12.7232 -12.7232 -11.7616 -11.7616 -11.4489 -11.4489 -11.4111 -11.4111 -11.2765 -11.2765 -0.4649 -0.4649 0.2038 0.2038 0.6522 0.6522 0.9852 0.9852 1.3152 1.3152 1.5510 1.5510 1.6890 1.6890 1.8501 1.8501 2.7762 2.7762 2.7851 2.7851 3.4037 3.4037 3.6931 3.6931 3.9822 3.9822 4.3489 4.3489 4.3843 4.3843 4.7630 4.7630 5.2529 5.2529 5.3776 5.3776 6.8468 6.8468 7.0136 7.0136 7.0720 7.0720 7.1889 7.1889 7.4723 7.4723 7.5519 7.5519 8.4794 8.4794 8.8414 8.8414 9.0435 9.0435 9.2694 9.2694 13.8820 13.8820 k = 0.7210-0.2458-0.1622 ( 3286 PWs) bands (ev): -12.7504 -12.7504 -12.7174 -12.7174 -11.7709 -11.7709 -11.4525 -11.4525 -11.4079 -11.4079 -11.2721 -11.2721 -0.4737 -0.4737 0.2232 0.2232 0.6466 0.6466 1.0058 1.0058 1.3121 1.3121 1.5361 1.5361 1.6777 1.6777 1.8734 1.8734 2.7532 2.7532 2.7856 2.7856 3.4288 3.4288 3.7148 3.7148 3.9580 3.9580 4.3501 4.3501 4.3630 4.3630 4.7729 4.7729 5.2618 5.2618 5.3665 5.3665 6.8335 6.8335 7.0018 7.0018 7.0613 7.0613 7.1891 7.1891 7.4804 7.4804 7.5580 7.5580 8.4630 8.4630 8.8375 8.8375 9.0420 9.0420 9.2878 9.2878 13.8908 13.8908 k = 0.7333-0.2358-0.1555 ( 3278 PWs) bands (ev): -12.7527 -12.7527 -12.7112 -12.7112 -11.7791 -11.7791 -11.4559 -11.4559 -11.4051 -11.4051 -11.2679 -11.2679 -0.4817 -0.4817 0.2415 0.2415 0.6404 0.6404 1.0255 1.0255 1.3106 1.3106 1.5213 1.5213 1.6672 1.6672 1.8960 1.8960 2.7293 2.7293 2.7854 2.7854 3.4542 3.4542 3.7374 3.7374 3.9352 3.9352 4.3381 4.3381 4.3548 4.3548 4.7821 4.7821 5.2719 5.2719 5.3547 5.3547 6.8206 6.8206 6.9901 6.9901 7.0503 7.0503 7.1893 7.1893 7.4884 7.4884 7.5638 7.5638 8.4476 8.4476 8.8341 8.8341 9.0398 9.0398 9.3054 9.3054 13.8996 13.8996 k = 0.7456-0.2257-0.1489 ( 3275 PWs) bands (ev): -12.7558 -12.7558 -12.7049 -12.7049 -11.7863 -11.7863 -11.4592 -11.4592 -11.4027 -11.4027 -11.2639 -11.2639 -0.4890 -0.4890 0.2585 0.2585 0.6336 0.6336 1.0441 1.0441 1.3109 1.3109 1.5064 1.5064 1.6579 1.6579 1.9176 1.9176 2.7057 2.7057 2.7840 2.7840 3.4793 3.4793 3.7607 3.7607 3.9144 3.9144 4.3151 4.3151 4.3581 4.3581 4.7907 4.7907 5.2828 5.2828 5.3423 5.3423 6.8081 6.8081 6.9784 6.9784 7.0394 7.0394 7.1896 7.1896 7.4960 7.4960 7.5694 7.5694 8.4331 8.4331 8.8312 8.8312 9.0368 9.0368 9.3222 9.3222 13.9081 13.9081 k = 0.7578-0.2157-0.1423 ( 3274 PWs) bands (ev): -12.7597 -12.7597 -12.6983 -12.6983 -11.7922 -11.7922 -11.4622 -11.4622 -11.4006 -11.4006 -11.2600 -11.2600 -0.4955 -0.4955 0.2740 0.2740 0.6263 0.6263 1.0609 1.0609 1.3131 1.3131 1.4915 1.4915 1.6502 1.6502 1.9374 1.9374 2.6833 2.6833 2.7816 2.7816 3.5029 3.5029 3.7845 3.7845 3.8960 3.8960 4.2915 4.2915 4.3629 4.3629 4.7987 4.7987 5.2940 5.2940 5.3296 5.3296 6.7961 6.7961 6.9669 6.9669 7.0286 7.0286 7.1900 7.1900 7.5032 7.5032 7.5745 7.5745 8.4197 8.4197 8.8287 8.8287 9.0330 9.0330 9.3381 9.3381 13.9163 13.9163 k = 0.7701-0.2057-0.1357 ( 3277 PWs) bands (ev): -12.7646 -12.7646 -12.6915 -12.6915 -11.7970 -11.7970 -11.4651 -11.4651 -11.3990 -11.3990 -11.2563 -11.2563 -0.5012 -0.5012 0.2881 0.2881 0.6184 0.6184 1.0757 1.0757 1.3173 1.3173 1.4765 1.4765 1.6443 1.6443 1.9548 1.9548 2.6631 2.6631 2.7780 2.7780 3.5239 3.5239 3.8084 3.8084 3.8810 3.8810 4.2681 4.2681 4.3690 4.3690 4.8063 4.8063 5.3046 5.3046 5.3174 5.3174 6.7848 6.7848 6.9554 6.9554 7.0180 7.0180 7.1904 7.1904 7.5100 7.5100 7.5794 7.5794 8.4073 8.4073 8.8267 8.8267 9.0285 9.0285 9.3532 9.3532 13.9239 13.9239 k = 0.7824-0.1956-0.1291 ( 3279 PWs) bands (ev): -12.7704 -12.7704 -12.6845 -12.6845 -11.8004 -11.8004 -11.4678 -11.4678 -11.3976 -11.3976 -11.2528 -11.2528 -0.5063 -0.5063 0.3005 0.3005 0.6099 0.6099 1.0880 1.0880 1.3234 1.3234 1.4612 1.4612 1.6406 1.6406 1.9691 1.9691 2.6460 2.6460 2.7734 2.7734 3.5411 3.5411 3.8322 3.8322 3.8702 3.8702 4.2453 4.2453 4.3767 4.3767 4.8135 4.8135 5.3009 5.3009 5.3192 5.3192 6.7743 6.7743 6.9441 6.9441 7.0079 7.0079 7.1909 7.1909 7.5162 7.5162 7.5839 7.5839 8.3958 8.3958 8.8253 8.8253 9.0233 9.0233 9.3674 9.3674 13.9307 13.9307 Writing output data file FeBO3.save init_run : 0.36s CPU 0.53s WALL ( 1 calls) electrons : 300.15s CPU 304.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 300.14s CPU 304.16s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 291 calls) cegterg : 281.61s CPU 285.08s WALL ( 739 calls) Called by sum_band: Called by *egterg: h_psi : 140.69s CPU 142.84s WALL ( 13361 calls) s_psi : 7.24s CPU 7.29s WALL ( 13361 calls) g_psi : 0.24s CPU 0.26s WALL ( 12331 calls) cdiaghg : 126.39s CPU 128.06s WALL ( 12622 calls) cegterg:over : 8.41s CPU 8.49s WALL ( 12331 calls) cegterg:upda : 8.16s CPU 8.05s WALL ( 12331 calls) cegterg:last : 3.18s CPU 3.14s WALL ( 1321 calls) cdiaghg:chol : 7.19s CPU 7.10s WALL ( 12622 calls) cdiaghg:inve : 5.15s CPU 5.09s WALL ( 12622 calls) cdiaghg:para : 8.16s CPU 8.25s WALL ( 25244 calls) Called by h_psi: h_psi:vloc : 122.48s CPU 124.40s WALL ( 13361 calls) h_psi:vnl : 17.92s CPU 18.15s WALL ( 13361 calls) add_vuspsi : 9.40s CPU 9.39s WALL ( 13361 calls) General routines calbec : 8.50s CPU 8.72s WALL ( 13361 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 115.04s CPU 116.65s WALL ( 1126160 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.20s WALL ( 582 calls) Parallel routines fft_scatter : 36.26s CPU 36.62s WALL ( 1126183 calls) PWSCF : 5m16.52s CPU 5m37.27s WALL This run was terminated on: 14:37:30 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=