Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:29:52 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: ./In2Se3.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 68 51 15 1407 913 149 Max 69 52 16 1410 936 150 Sum 2459 1863 557 50679 33369 5375 bravais-lattice index = 14 lattice parameter (alat) = 19.0453 a.u. unit-cell volume = 939.7470 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.045292 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.919257 celldm(5)= 0.919257 celldm(6)= 0.919257 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.919257 0.393657 0.000000 ) a(3) = ( 0.919257 0.188548 0.345565 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.335174 -1.386034 ) b(2) = ( 0.000000 2.540283 -1.386034 ) b(3) = ( 0.000000 0.000000 2.893809 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Se 6.00 78.96000 Se( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 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) = ( 0.0108696 -0.0253823 -0.0150656), wk = 0.0034364 k( 3) = ( 0.0217391 -0.0507647 -0.0301312), wk = 0.0034364 k( 4) = ( 0.0326087 -0.0761470 -0.0451968), wk = 0.0034364 k( 5) = ( 0.0434783 -0.1015293 -0.0602623), wk = 0.0034364 k( 6) = ( 0.0543478 -0.1269117 -0.0753279), wk = 0.0034364 k( 7) = ( 0.0652174 -0.1522940 -0.0903935), wk = 0.0034364 k( 8) = ( 0.0760870 -0.1776763 -0.1054591), wk = 0.0034364 k( 9) = ( 0.0869565 -0.2030586 -0.1205247), wk = 0.0034364 k( 10) = ( 0.0978261 -0.2284410 -0.1355902), wk = 0.0034364 k( 11) = ( 0.1086957 -0.2538233 -0.1506558), wk = 0.0034364 k( 12) = ( 0.1195652 -0.2792056 -0.1657214), wk = 0.0034364 k( 13) = ( 0.1304348 -0.3045880 -0.1807870), wk = 0.0034364 k( 14) = ( 0.1413043 -0.3299703 -0.1958526), wk = 0.0034364 k( 15) = ( 0.1521739 -0.3553526 -0.2109181), wk = 0.0034364 k( 16) = ( 0.1630435 -0.3807350 -0.2259837), wk = 0.0034364 k( 17) = ( 0.1739130 -0.4061173 -0.2410493), wk = 0.0034364 k( 18) = ( 0.1847826 -0.4314996 -0.2561149), wk = 0.0034364 k( 19) = ( 0.1956522 -0.4568819 -0.2711805), wk = 0.0034364 k( 20) = ( 0.2065217 -0.4822643 -0.2862461), wk = 0.0034364 k( 21) = ( 0.2173913 -0.5076466 -0.3013116), wk = 0.0034364 k( 22) = ( 0.2282609 -0.5330289 -0.3163772), wk = 0.0034364 k( 23) = ( 0.2391304 -0.5584113 -0.3314428), wk = 0.0034364 k( 24) = ( 0.2500000 -0.5837936 -0.3465084), wk = 0.0034364 k( 25) = ( 0.2608696 -0.6091759 -0.3615740), wk = 0.0034364 k( 26) = ( 0.2717391 -0.6345583 -0.3766395), wk = 0.0034364 k( 27) = ( 0.2826087 -0.6599406 -0.3917051), wk = 0.0034364 k( 28) = ( 0.2934783 -0.6853229 -0.4067707), wk = 0.0034364 k( 29) = ( 0.3043478 -0.7107053 -0.4218363), wk = 0.0034364 k( 30) = ( 0.3152174 -0.7360876 -0.4369019), wk = 0.0034364 k( 31) = ( 0.3260870 -0.7614699 -0.4519675), wk = 0.0034364 k( 32) = ( 0.3369565 -0.7868522 -0.4670330), wk = 0.0034364 k( 33) = ( 0.3478261 -0.8122346 -0.4820986), wk = 0.0034364 k( 34) = ( 0.3586956 -0.8376169 -0.4971642), wk = 0.0034364 k( 35) = ( 0.3695652 -0.8629992 -0.5122298), wk = 0.0034364 k( 36) = ( 0.3804348 -0.8883816 -0.5272954), wk = 0.0034364 k( 37) = ( 0.3913044 -0.9137639 -0.5423609), wk = 0.0034364 k( 38) = ( 0.4021739 -0.9391462 -0.5574265), wk = 0.0034364 k( 39) = ( 0.4130435 -0.9645286 -0.5724921), wk = 0.0034364 k( 40) = ( 0.4239130 -0.9899109 -0.5875577), wk = 0.0034364 k( 41) = ( 0.4347826 -1.0152932 -0.6026233), wk = 0.0034364 k( 42) = ( 0.4456522 -1.0406755 -0.6176888), wk = 0.0034364 k( 43) = ( 0.4565217 -1.0660579 -0.6327544), wk = 0.0034364 k( 44) = ( 0.4673913 -1.0914402 -0.6478200), wk = 0.0034364 k( 45) = ( 0.4782609 -1.1168225 -0.6628856), wk = 0.0034364 k( 46) = ( 0.4891304 -1.1422049 -0.6779512), wk = 0.0034364 k( 47) = ( 0.5000000 -1.1675872 -0.6930168), wk = 0.0034364 k( 48) = ( 0.5000000 -1.1675872 -0.6930168), wk = 0.0034364 k( 49) = ( 0.5000000 -1.1516062 -0.7199413), wk = 0.0034364 k( 50) = ( 0.5000000 -1.1356253 -0.7468659), wk = 0.0034364 k( 51) = ( 0.5000000 -1.1196443 -0.7737904), wk = 0.0034364 k( 52) = ( 0.5000000 -1.1036634 -0.8007150), wk = 0.0034364 k( 53) = ( 0.5000000 -1.0876824 -0.8276395), wk = 0.0034364 k( 54) = ( 0.5000000 -1.0717014 -0.8545641), wk = 0.0034364 k( 55) = ( 0.5000000 -1.0557205 -0.8814886), wk = 0.0034364 k( 56) = ( 0.5000000 -1.0397395 -0.9084132), wk = 0.0034364 k( 57) = ( 0.5000000 -1.0237585 -0.9353377), wk = 0.0034364 k( 58) = ( 0.5000000 -1.0077776 -0.9622623), wk = 0.0034364 k( 59) = ( 0.5000000 -0.9917966 -0.9891869), wk = 0.0034364 k( 60) = ( 0.5000000 -0.9758157 -1.0161114), wk = 0.0034364 k( 61) = ( 0.5000000 -0.9598347 -1.0430360), wk = 0.0034364 k( 62) = ( 0.5000000 -0.9438537 -1.0699605), wk = 0.0034364 k( 63) = ( 0.5000000 -0.9278728 -1.0968851), wk = 0.0034364 k( 64) = ( 0.5000000 -0.9118918 -1.1238097), wk = 0.0034364 k( 65) = ( 0.5000000 -0.8959108 -1.1507342), wk = 0.0034364 k( 66) = ( 0.5000000 -0.8799299 -1.1776588), wk = 0.0034364 k( 67) = ( 0.5000000 -0.8639489 -1.2045833), wk = 0.0034364 k( 68) = ( 0.5000000 -0.8479679 -1.2315079), wk = 0.0034364 k( 69) = ( 0.5000000 -0.8319870 -1.2584324), wk = 0.0034364 k( 70) = ( 0.5000000 -0.8160060 -1.2853570), wk = 0.0034364 k( 71) = ( 0.5000000 -0.8000250 -1.3122815), wk = 0.0034364 k( 72) = ( 0.5000000 -0.7840441 -1.3392061), wk = 0.0034364 k( 73) = ( 0.5000000 -0.7680631 -1.3661307), wk = 0.0034364 k( 74) = ( 0.5000000 -0.7520822 -1.3930552), wk = 0.0034364 k( 75) = ( 0.5000000 -0.7361012 -1.4199798), wk = 0.0034364 k( 76) = ( 0.5000000 -0.7201202 -1.4469043), wk = 0.0034364 k( 77) = ( 0.8238515 -0.6536954 -1.3251627), wk = 0.0034364 k( 78) = ( 0.8175015 -0.6388670 -1.2979856), wk = 0.0034364 k( 79) = ( 0.8111515 -0.6240385 -1.2708085), wk = 0.0034364 k( 80) = ( 0.8048015 -0.6092101 -1.2436313), wk = 0.0034364 k( 81) = ( 0.7984514 -0.5943817 -1.2164542), wk = 0.0034364 k( 82) = ( 0.7921014 -0.5795532 -1.1892771), wk = 0.0034364 k( 83) = ( 0.7857514 -0.5647248 -1.1621000), wk = 0.0034364 k( 84) = ( 0.7794013 -0.5498964 -1.1349228), wk = 0.0034364 k( 85) = ( 0.7730513 -0.5350680 -1.1077457), wk = 0.0034364 k( 86) = ( 0.7667013 -0.5202395 -1.0805686), wk = 0.0034364 k( 87) = ( 0.7603513 -0.5054111 -1.0533915), wk = 0.0034364 k( 88) = ( 0.7540012 -0.4905827 -1.0262143), wk = 0.0034364 k( 89) = ( 0.7476512 -0.4757543 -0.9990372), wk = 0.0034364 k( 90) = ( 0.7413012 -0.4609258 -0.9718601), wk = 0.0034364 k( 91) = ( 0.7349511 -0.4460974 -0.9446829), wk = 0.0034364 k( 92) = ( 0.7286011 -0.4312689 -0.9175058), wk = 0.0034364 k( 93) = ( 0.7222511 -0.4164405 -0.8903287), wk = 0.0034364 k( 94) = ( 0.7159010 -0.4016121 -0.8631515), wk = 0.0034364 k( 95) = ( 0.7095510 -0.3867837 -0.8359744), wk = 0.0034364 k( 96) = ( 0.7032010 -0.3719552 -0.8087973), wk = 0.0034364 k( 97) = ( 0.6968509 -0.3571268 -0.7816202), wk = 0.0034364 k( 98) = ( 0.6905009 -0.3422984 -0.7544430), wk = 0.0034364 k( 99) = ( 0.6841509 -0.3274700 -0.7272659), wk = 0.0034364 k( 100) = ( 0.6778009 -0.3126415 -0.7000888), wk = 0.0034364 k( 101) = ( 0.6714508 -0.2978131 -0.6729116), wk = 0.0034364 k( 102) = ( 0.6651008 -0.2829847 -0.6457345), wk = 0.0034364 k( 103) = ( 0.6587508 -0.2681562 -0.6185574), wk = 0.0034364 k( 104) = ( 0.6524007 -0.2533278 -0.5913803), wk = 0.0034364 k( 105) = ( 0.6460507 -0.2384994 -0.5642031), wk = 0.0034364 k( 106) = ( 0.6397007 -0.2236710 -0.5370260), wk = 0.0034364 k( 107) = ( 0.6333506 -0.2088425 -0.5098489), wk = 0.0034364 k( 108) = ( 0.6270006 -0.1940141 -0.4826718), wk = 0.0034364 k( 109) = ( 0.6206506 -0.1791857 -0.4554946), wk = 0.0034364 k( 110) = ( 0.6143005 -0.1643572 -0.4283175), wk = 0.0034364 k( 111) = ( 0.6079505 -0.1495288 -0.4011404), wk = 0.0034364 k( 112) = ( 0.6016005 -0.1347004 -0.3739633), wk = 0.0034364 k( 113) = ( 0.5952505 -0.1198720 -0.3467861), wk = 0.0034364 k( 114) = ( 0.5889004 -0.1050435 -0.3196090), wk = 0.0034364 k( 115) = ( 0.5825504 -0.0902151 -0.2924319), wk = 0.0034364 k( 116) = ( 0.5762004 -0.0753867 -0.2652547), wk = 0.0034364 k( 117) = ( 0.5698503 -0.0605582 -0.2380776), wk = 0.0034364 k( 118) = ( 0.5635003 -0.0457298 -0.2109005), wk = 0.0034364 k( 119) = ( 0.5571503 -0.0309014 -0.1837233), wk = 0.0034364 k( 120) = ( 0.5508002 -0.0160729 -0.1565462), wk = 0.0034364 k( 121) = ( 0.5444502 -0.0012445 -0.1293691), wk = 0.0034364 k( 122) = ( 0.5381002 0.0135839 -0.1021920), wk = 0.0034364 k( 123) = ( 0.5317502 0.0284123 -0.0750148), wk = 0.0034364 k( 124) = ( 0.5254001 0.0432408 -0.0478377), wk = 0.0034364 k( 125) = ( 0.5190501 0.0580692 -0.0206606), wk = 0.0034364 k( 126) = ( 0.5127001 0.0728976 0.0065165), wk = 0.0034364 k( 127) = ( 0.5063500 0.0877260 0.0336937), wk = 0.0034364 k( 128) = ( 0.5000000 0.1025545 0.0608708), wk = 0.0034364 k( 129) = ( 0.5000000 0.1025545 0.0608708), wk = 0.0034364 k( 130) = ( 0.4705882 0.0965219 0.0572902), wk = 0.0034364 k( 131) = ( 0.4411765 0.0904892 0.0537095), wk = 0.0034364 k( 132) = ( 0.4117647 0.0844566 0.0501289), wk = 0.0034364 k( 133) = ( 0.3823529 0.0784240 0.0465483), wk = 0.0034364 k( 134) = ( 0.3529412 0.0723914 0.0429676), wk = 0.0034364 k( 135) = ( 0.3235294 0.0663588 0.0393870), wk = 0.0034364 k( 136) = ( 0.2941177 0.0603262 0.0358064), wk = 0.0034364 k( 137) = ( 0.2647059 0.0542935 0.0322257), wk = 0.0034364 k( 138) = ( 0.2352941 0.0482609 0.0286451), wk = 0.0034364 k( 139) = ( 0.2058823 0.0422283 0.0250644), wk = 0.0034364 k( 140) = ( 0.1764706 0.0361957 0.0214838), wk = 0.0034364 k( 141) = ( 0.1470588 0.0301631 0.0179032), wk = 0.0034364 k( 142) = ( 0.1176471 0.0241305 0.0143225), wk = 0.0034364 k( 143) = ( 0.0882353 0.0180978 0.0107419), wk = 0.0034364 k( 144) = ( 0.0588235 0.0120652 0.0071613), wk = 0.0034364 k( 145) = ( 0.0294118 0.0060326 0.0035806), wk = 0.0034364 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 148) = ( 0.0063788 -0.0148955 -0.0273001), wk = 0.0034364 k( 149) = ( 0.0127575 -0.0297910 -0.0546002), wk = 0.0034364 k( 150) = ( 0.0191363 -0.0446866 -0.0819003), wk = 0.0034364 k( 151) = ( 0.0255150 -0.0595821 -0.1092003), wk = 0.0034364 k( 152) = ( 0.0318938 -0.0744776 -0.1365004), wk = 0.0034364 k( 153) = ( 0.0382726 -0.0893731 -0.1638005), wk = 0.0034364 k( 154) = ( 0.0446513 -0.1042686 -0.1911006), wk = 0.0034364 k( 155) = ( 0.0510301 -0.1191641 -0.2184006), wk = 0.0034364 k( 156) = ( 0.0574088 -0.1340596 -0.2457007), wk = 0.0034364 k( 157) = ( 0.0637876 -0.1489551 -0.2730008), wk = 0.0034364 k( 158) = ( 0.0701664 -0.1638507 -0.3003009), wk = 0.0034364 k( 159) = ( 0.0765451 -0.1787462 -0.3276010), wk = 0.0034364 k( 160) = ( 0.0829239 -0.1936417 -0.3549011), wk = 0.0034364 k( 161) = ( 0.0893026 -0.2085372 -0.3822012), wk = 0.0034364 k( 162) = ( 0.0956814 -0.2234327 -0.4095012), wk = 0.0034364 k( 163) = ( 0.1020601 -0.2383282 -0.4368013), wk = 0.0034364 k( 164) = ( 0.1084389 -0.2532237 -0.4641014), wk = 0.0034364 k( 165) = ( 0.1148177 -0.2681193 -0.4914015), wk = 0.0034364 k( 166) = ( 0.1211964 -0.2830148 -0.5187015), wk = 0.0034364 k( 167) = ( 0.1275752 -0.2979103 -0.5460016), wk = 0.0034364 k( 168) = ( 0.1339539 -0.3128058 -0.5733017), wk = 0.0034364 k( 169) = ( 0.1403327 -0.3277013 -0.6006018), wk = 0.0034364 k( 170) = ( 0.1467115 -0.3425968 -0.6279019), wk = 0.0034364 k( 171) = ( 0.1530902 -0.3574923 -0.6552019), wk = 0.0034364 k( 172) = ( 0.1594690 -0.3723879 -0.6825020), wk = 0.0034364 k( 173) = ( 0.1658477 -0.3872834 -0.7098021), wk = 0.0034364 k( 174) = ( 0.1722265 -0.4021789 -0.7371022), wk = 0.0034364 k( 175) = ( 0.1786052 -0.4170744 -0.7644023), wk = 0.0034364 k( 176) = ( 0.1849840 -0.4319699 -0.7917024), wk = 0.0034364 k( 177) = ( 0.1913628 -0.4468654 -0.8190025), wk = 0.0034364 k( 178) = ( 0.1977415 -0.4617610 -0.8463025), wk = 0.0034364 k( 179) = ( 0.2041203 -0.4766565 -0.8736026), wk = 0.0034364 k( 180) = ( 0.2104990 -0.4915520 -0.9009027), wk = 0.0034364 k( 181) = ( 0.2168778 -0.5064475 -0.9282028), wk = 0.0034364 k( 182) = ( 0.2232566 -0.5213430 -0.9555028), wk = 0.0034364 k( 183) = ( 0.2296353 -0.5362385 -0.9828029), wk = 0.0034364 k( 184) = ( 0.2360141 -0.5511340 -1.0101030), wk = 0.0034364 k( 185) = ( 0.2423928 -0.5660296 -1.0374031), wk = 0.0034364 k( 186) = ( 0.2487716 -0.5809251 -1.0647032), wk = 0.0034364 k( 187) = ( 0.2551504 -0.5958206 -1.0920033), wk = 0.0034364 k( 188) = ( 0.2615291 -0.6107161 -1.1193034), wk = 0.0034364 k( 189) = ( 0.2679079 -0.6256116 -1.1466034), wk = 0.0034364 k( 190) = ( 0.2742866 -0.6405071 -1.1739035), wk = 0.0034364 k( 191) = ( 0.2806654 -0.6554026 -1.2012036), wk = 0.0034364 k( 192) = ( 0.2870441 -0.6702982 -1.2285037), wk = 0.0034364 k( 193) = ( 0.2934229 -0.6851937 -1.2558037), wk = 0.0034364 k( 194) = ( 0.2998017 -0.7000892 -1.2831038), wk = 0.0034364 k( 195) = ( 0.3061804 -0.7149847 -1.3104039), wk = 0.0034364 k( 196) = ( 0.3125592 -0.7298802 -1.3377040), wk = 0.0034364 k( 197) = ( 0.3189380 -0.7447757 -1.3650041), wk = 0.0034364 k( 198) = ( 0.3253167 -0.7596713 -1.3923042), wk = 0.0034364 k( 199) = ( 0.3316955 -0.7745668 -1.4196043), wk = 0.0034364 k( 200) = ( 0.3380742 -0.7894623 -1.4469043), wk = 0.0034364 k( 201) = ( 0.6619258 -0.6869078 -1.3860335), wk = 0.0034364 k( 202) = ( 0.6556979 -0.6565439 -1.3860335), wk = 0.0034364 k( 203) = ( 0.6494699 -0.6261800 -1.3860335), wk = 0.0034364 k( 204) = ( 0.6432420 -0.5958160 -1.3860335), wk = 0.0034364 k( 205) = ( 0.6370141 -0.5654521 -1.3860335), wk = 0.0034364 k( 206) = ( 0.6307862 -0.5350881 -1.3860335), wk = 0.0034364 k( 207) = ( 0.6245583 -0.5047242 -1.3860335), wk = 0.0034364 k( 208) = ( 0.6183304 -0.4743603 -1.3860335), wk = 0.0034364 k( 209) = ( 0.6121025 -0.4439963 -1.3860335), wk = 0.0034364 k( 210) = ( 0.6058746 -0.4136324 -1.3860335), wk = 0.0034364 k( 211) = ( 0.5996466 -0.3832685 -1.3860335), wk = 0.0034364 k( 212) = ( 0.5934187 -0.3529046 -1.3860335), wk = 0.0034364 k( 213) = ( 0.5871908 -0.3225406 -1.3860335), wk = 0.0034364 k( 214) = ( 0.5809629 -0.2921767 -1.3860335), wk = 0.0034364 k( 215) = ( 0.5747350 -0.2618127 -1.3860335), wk = 0.0034364 k( 216) = ( 0.5685071 -0.2314488 -1.3860335), wk = 0.0034364 k( 217) = ( 0.5622791 -0.2010848 -1.3860335), wk = 0.0034364 k( 218) = ( 0.5560512 -0.1707209 -1.3860335), wk = 0.0034364 k( 219) = ( 0.5498233 -0.1403570 -1.3860335), wk = 0.0034364 k( 220) = ( 0.5435954 -0.1099931 -1.3860335), wk = 0.0034364 k( 221) = ( 0.5373675 -0.0796291 -1.3860335), wk = 0.0034364 k( 222) = ( 0.5311396 -0.0492652 -1.3860335), wk = 0.0034364 k( 223) = ( 0.5249117 -0.0189013 -1.3860335), wk = 0.0034364 k( 224) = ( 0.5186837 0.0114627 -1.3860335), wk = 0.0034364 k( 225) = ( 0.5124558 0.0418266 -1.3860335), wk = 0.0034364 k( 226) = ( 0.5062279 0.0721906 -1.3860335), wk = 0.0034364 k( 227) = ( 0.5000000 0.1025545 -1.3860335), wk = 0.0034364 k( 228) = ( 0.5000000 0.1025545 -1.3860335), wk = 0.0034364 k( 229) = ( 0.5269876 0.1080899 -1.3758884), wk = 0.0034364 k( 230) = ( 0.5539753 0.1136253 -1.3657433), wk = 0.0034364 k( 231) = ( 0.5809629 0.1191607 -1.3555981), wk = 0.0034364 k( 232) = ( 0.6079505 0.1246961 -1.3454530), wk = 0.0034364 k( 233) = ( 0.6349381 0.1302315 -1.3353079), wk = 0.0034364 k( 234) = ( 0.6619258 0.1357669 -1.3251627), wk = 0.0034364 k( 235) = ( 0.6619258 0.1357669 -1.3251627), wk = 0.0034364 k( 236) = ( 0.6582456 0.1350121 -1.2936620), wk = 0.0034364 k( 237) = ( 0.6545655 0.1342572 -1.2621612), wk = 0.0034364 k( 238) = ( 0.6508854 0.1335024 -1.2306604), wk = 0.0034364 k( 239) = ( 0.6472052 0.1327476 -1.1991597), wk = 0.0034364 k( 240) = ( 0.6435251 0.1319928 -1.1676589), wk = 0.0034364 k( 241) = ( 0.6398450 0.1312379 -1.1361582), wk = 0.0034364 k( 242) = ( 0.6361649 0.1304831 -1.1046574), wk = 0.0034364 k( 243) = ( 0.6324847 0.1297283 -1.0731566), wk = 0.0034364 k( 244) = ( 0.6288046 0.1289734 -1.0416559), wk = 0.0034364 k( 245) = ( 0.6251245 0.1282186 -1.0101551), wk = 0.0034364 k( 246) = ( 0.6214443 0.1274638 -0.9786543), wk = 0.0034364 k( 247) = ( 0.6177642 0.1267090 -0.9471536), wk = 0.0034364 k( 248) = ( 0.6140841 0.1259541 -0.9156528), wk = 0.0034364 k( 249) = ( 0.6104039 0.1251993 -0.8841521), wk = 0.0034364 k( 250) = ( 0.6067238 0.1244445 -0.8526513), wk = 0.0034364 k( 251) = ( 0.6030437 0.1236897 -0.8211505), wk = 0.0034364 k( 252) = ( 0.5993635 0.1229348 -0.7896498), wk = 0.0034364 k( 253) = ( 0.5956834 0.1221800 -0.7581490), wk = 0.0034364 k( 254) = ( 0.5920033 0.1214252 -0.7266482), wk = 0.0034364 k( 255) = ( 0.5883232 0.1206703 -0.6951475), wk = 0.0034364 k( 256) = ( 0.5846430 0.1199155 -0.6636467), wk = 0.0034364 k( 257) = ( 0.5809629 0.1191607 -0.6321460), wk = 0.0034364 k( 258) = ( 0.5772828 0.1184059 -0.6006452), wk = 0.0034364 k( 259) = ( 0.5736026 0.1176510 -0.5691444), wk = 0.0034364 k( 260) = ( 0.5699225 0.1168962 -0.5376437), wk = 0.0034364 k( 261) = ( 0.5662424 0.1161414 -0.5061429), wk = 0.0034364 k( 262) = ( 0.5625622 0.1153865 -0.4746421), wk = 0.0034364 k( 263) = ( 0.5588821 0.1146317 -0.4431414), wk = 0.0034364 k( 264) = ( 0.5552020 0.1138769 -0.4116406), wk = 0.0034364 k( 265) = ( 0.5515218 0.1131221 -0.3801399), wk = 0.0034364 k( 266) = ( 0.5478417 0.1123672 -0.3486391), wk = 0.0034364 k( 267) = ( 0.5441616 0.1116124 -0.3171384), wk = 0.0034364 k( 268) = ( 0.5404814 0.1108576 -0.2856376), wk = 0.0034364 k( 269) = ( 0.5368013 0.1101028 -0.2541368), wk = 0.0034364 k( 270) = ( 0.5331212 0.1093479 -0.2226360), wk = 0.0034364 k( 271) = ( 0.5294410 0.1085931 -0.1911353), wk = 0.0034364 k( 272) = ( 0.5257609 0.1078383 -0.1596345), wk = 0.0034364 k( 273) = ( 0.5220808 0.1070834 -0.1281338), wk = 0.0034364 k( 274) = ( 0.5184007 0.1063286 -0.0966330), wk = 0.0034364 k( 275) = ( 0.5147205 0.1055738 -0.0651323), wk = 0.0034364 k( 276) = ( 0.5110404 0.1048190 -0.0336315), wk = 0.0034364 k( 277) = ( 0.5073603 0.1040641 -0.0021307), wk = 0.0034364 k( 278) = ( 0.5036801 0.1033093 0.0293700), wk = 0.0034364 k( 279) = ( 0.5000000 0.1025545 0.0608708), wk = 0.0034364 k( 280) = ( 0.5000000 -1.1675872 -0.6930168), wk = 0.0034364 k( 281) = ( 0.5294410 -1.1582641 -0.6874831), wk = 0.0034364 k( 282) = ( 0.5588821 -1.1489409 -0.6819493), wk = 0.0034364 k( 283) = ( 0.5883232 -1.1396178 -0.6764156), wk = 0.0034364 k( 284) = ( 0.6177642 -1.1302947 -0.6708819), wk = 0.0034364 k( 285) = ( 0.6472052 -1.1209715 -0.6653482), wk = 0.0034364 k( 286) = ( 0.6766463 -1.1116484 -0.6598145), wk = 0.0034364 k( 287) = ( 0.7060874 -1.1023253 -0.6542808), wk = 0.0034364 k( 288) = ( 0.7355284 -1.0930021 -0.6487471), wk = 0.0034364 k( 289) = ( 0.7649695 -1.0836790 -0.6432134), wk = 0.0034364 k( 290) = ( 0.7944105 -1.0743559 -0.6376797), wk = 0.0034364 k( 291) = ( 0.8238515 -1.0650327 -0.6321460), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0034364 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0034364 k( 4) = ( 0.0326087 0.0000000 0.0000000), wk = 0.0034364 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0034364 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0034364 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0034364 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0034364 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0034364 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0034364 k( 11) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0034364 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0034364 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0034364 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0034364 k( 15) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0034364 k( 16) = ( 0.1630435 0.0000000 0.0000000), wk = 0.0034364 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0034364 k( 18) = ( 0.1847826 0.0000000 0.0000000), wk = 0.0034364 k( 19) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0034364 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0034364 k( 21) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0034364 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0034364 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0034364 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034364 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0034364 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0034364 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0034364 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0034364 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0034364 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0034364 k( 31) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0034364 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0034364 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0034364 k( 34) = ( 0.3586956 0.0000000 0.0000000), wk = 0.0034364 k( 35) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0034364 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0034364 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0034364 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0034364 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0034364 k( 40) = ( 0.4239130 0.0000000 0.0000000), wk = 0.0034364 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0034364 k( 42) = ( 0.4456522 0.0000000 0.0000000), wk = 0.0034364 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0034364 k( 44) = ( 0.4673913 0.0000000 0.0000000), wk = 0.0034364 k( 45) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0034364 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0034364 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 49) = ( 0.5000000 0.0062910 -0.0062910), wk = 0.0034364 k( 50) = ( 0.5000000 0.0125820 -0.0125820), wk = 0.0034364 k( 51) = ( 0.5000000 0.0188731 -0.0188730), wk = 0.0034364 k( 52) = ( 0.5000000 0.0251641 -0.0251641), wk = 0.0034364 k( 53) = ( 0.5000000 0.0314551 -0.0314551), wk = 0.0034364 k( 54) = ( 0.5000000 0.0377461 -0.0377461), wk = 0.0034364 k( 55) = ( 0.5000000 0.0440371 -0.0440371), wk = 0.0034364 k( 56) = ( 0.5000000 0.0503281 -0.0503281), wk = 0.0034364 k( 57) = ( 0.5000000 0.0566191 -0.0566191), wk = 0.0034364 k( 58) = ( 0.5000000 0.0629102 -0.0629102), wk = 0.0034364 k( 59) = ( 0.5000000 0.0692012 -0.0692012), wk = 0.0034364 k( 60) = ( 0.5000000 0.0754922 -0.0754922), wk = 0.0034364 k( 61) = ( 0.5000000 0.0817832 -0.0817832), wk = 0.0034364 k( 62) = ( 0.5000000 0.0880742 -0.0880742), wk = 0.0034364 k( 63) = ( 0.5000000 0.0943652 -0.0943652), wk = 0.0034364 k( 64) = ( 0.5000000 0.1006563 -0.1006563), wk = 0.0034364 k( 65) = ( 0.5000000 0.1069473 -0.1069473), wk = 0.0034364 k( 66) = ( 0.5000000 0.1132383 -0.1132383), wk = 0.0034364 k( 67) = ( 0.5000000 0.1195293 -0.1195293), wk = 0.0034364 k( 68) = ( 0.5000000 0.1258203 -0.1258203), wk = 0.0034364 k( 69) = ( 0.5000000 0.1321113 -0.1321113), wk = 0.0034364 k( 70) = ( 0.5000000 0.1384024 -0.1384023), wk = 0.0034364 k( 71) = ( 0.5000000 0.1446934 -0.1446934), wk = 0.0034364 k( 72) = ( 0.5000000 0.1509844 -0.1509844), wk = 0.0034364 k( 73) = ( 0.5000000 0.1572754 -0.1572754), wk = 0.0034364 k( 74) = ( 0.5000000 0.1635664 -0.1635664), wk = 0.0034364 k( 75) = ( 0.5000000 0.1698574 -0.1698574), wk = 0.0034364 k( 76) = ( 0.5000000 0.1761485 -0.1761484), wk = 0.0034364 k( 77) = ( 0.8238515 0.5000000 0.1761485), wk = 0.0034364 k( 78) = ( 0.8175015 0.5000000 0.1824985), wk = 0.0034364 k( 79) = ( 0.8111515 0.5000000 0.1888485), wk = 0.0034364 k( 80) = ( 0.8048015 0.5000000 0.1951985), wk = 0.0034364 k( 81) = ( 0.7984514 0.5000000 0.2015486), wk = 0.0034364 k( 82) = ( 0.7921014 0.5000000 0.2078986), wk = 0.0034364 k( 83) = ( 0.7857514 0.5000000 0.2142486), wk = 0.0034364 k( 84) = ( 0.7794013 0.5000000 0.2205987), wk = 0.0034364 k( 85) = ( 0.7730513 0.5000000 0.2269487), wk = 0.0034364 k( 86) = ( 0.7667013 0.5000000 0.2332987), wk = 0.0034364 k( 87) = ( 0.7603513 0.5000000 0.2396488), wk = 0.0034364 k( 88) = ( 0.7540012 0.5000000 0.2459988), wk = 0.0034364 k( 89) = ( 0.7476512 0.5000000 0.2523488), wk = 0.0034364 k( 90) = ( 0.7413012 0.5000000 0.2586988), wk = 0.0034364 k( 91) = ( 0.7349511 0.5000000 0.2650489), wk = 0.0034364 k( 92) = ( 0.7286011 0.5000000 0.2713989), wk = 0.0034364 k( 93) = ( 0.7222511 0.5000000 0.2777489), wk = 0.0034364 k( 94) = ( 0.7159010 0.5000000 0.2840990), wk = 0.0034364 k( 95) = ( 0.7095510 0.5000000 0.2904490), wk = 0.0034364 k( 96) = ( 0.7032010 0.5000000 0.2967990), wk = 0.0034364 k( 97) = ( 0.6968509 0.5000000 0.3031491), wk = 0.0034364 k( 98) = ( 0.6905009 0.5000000 0.3094991), wk = 0.0034364 k( 99) = ( 0.6841509 0.5000000 0.3158491), wk = 0.0034364 k( 100) = ( 0.6778009 0.5000000 0.3221992), wk = 0.0034364 k( 101) = ( 0.6714508 0.5000000 0.3285492), wk = 0.0034364 k( 102) = ( 0.6651008 0.5000000 0.3348992), wk = 0.0034364 k( 103) = ( 0.6587508 0.5000000 0.3412492), wk = 0.0034364 k( 104) = ( 0.6524007 0.5000000 0.3475993), wk = 0.0034364 k( 105) = ( 0.6460507 0.5000000 0.3539493), wk = 0.0034364 k( 106) = ( 0.6397007 0.5000000 0.3602993), wk = 0.0034364 k( 107) = ( 0.6333506 0.5000000 0.3666494), wk = 0.0034364 k( 108) = ( 0.6270006 0.5000000 0.3729994), wk = 0.0034364 k( 109) = ( 0.6206506 0.5000000 0.3793494), wk = 0.0034364 k( 110) = ( 0.6143005 0.5000000 0.3856995), wk = 0.0034364 k( 111) = ( 0.6079505 0.5000000 0.3920495), wk = 0.0034364 k( 112) = ( 0.6016005 0.5000000 0.3983995), wk = 0.0034364 k( 113) = ( 0.5952505 0.5000000 0.4047495), wk = 0.0034364 k( 114) = ( 0.5889004 0.5000000 0.4110996), wk = 0.0034364 k( 115) = ( 0.5825504 0.5000000 0.4174496), wk = 0.0034364 k( 116) = ( 0.5762004 0.5000000 0.4237996), wk = 0.0034364 k( 117) = ( 0.5698503 0.5000000 0.4301497), wk = 0.0034364 k( 118) = ( 0.5635003 0.5000000 0.4364997), wk = 0.0034364 k( 119) = ( 0.5571503 0.5000000 0.4428497), wk = 0.0034364 k( 120) = ( 0.5508002 0.5000000 0.4491998), wk = 0.0034364 k( 121) = ( 0.5444502 0.5000000 0.4555498), wk = 0.0034364 k( 122) = ( 0.5381002 0.5000000 0.4618998), wk = 0.0034364 k( 123) = ( 0.5317502 0.5000000 0.4682499), wk = 0.0034364 k( 124) = ( 0.5254001 0.5000000 0.4745999), wk = 0.0034364 k( 125) = ( 0.5190501 0.5000000 0.4809499), wk = 0.0034364 k( 126) = ( 0.5127001 0.5000000 0.4872999), wk = 0.0034364 k( 127) = ( 0.5063500 0.5000000 0.4936500), wk = 0.0034364 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 130) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0034364 k( 131) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0034364 k( 132) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0034364 k( 133) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0034364 k( 134) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0034364 k( 135) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0034364 k( 136) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0034364 k( 137) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0034364 k( 138) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0034364 k( 139) = ( 0.2058823 0.2058824 0.2058824), wk = 0.0034364 k( 140) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0034364 k( 141) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0034364 k( 142) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0034364 k( 143) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0034364 k( 144) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0034364 k( 145) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0034364 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 148) = ( 0.0063788 0.0000000 -0.0063788), wk = 0.0034364 k( 149) = ( 0.0127575 0.0000000 -0.0127575), wk = 0.0034364 k( 150) = ( 0.0191363 0.0000000 -0.0191363), wk = 0.0034364 k( 151) = ( 0.0255150 0.0000000 -0.0255150), wk = 0.0034364 k( 152) = ( 0.0318938 0.0000000 -0.0318938), wk = 0.0034364 k( 153) = ( 0.0382726 0.0000000 -0.0382725), wk = 0.0034364 k( 154) = ( 0.0446513 0.0000000 -0.0446513), wk = 0.0034364 k( 155) = ( 0.0510301 0.0000000 -0.0510301), wk = 0.0034364 k( 156) = ( 0.0574088 0.0000000 -0.0574088), wk = 0.0034364 k( 157) = ( 0.0637876 0.0000000 -0.0637876), wk = 0.0034364 k( 158) = ( 0.0701664 0.0000000 -0.0701663), wk = 0.0034364 k( 159) = ( 0.0765451 0.0000000 -0.0765451), wk = 0.0034364 k( 160) = ( 0.0829239 0.0000000 -0.0829239), wk = 0.0034364 k( 161) = ( 0.0893026 0.0000000 -0.0893026), wk = 0.0034364 k( 162) = ( 0.0956814 0.0000000 -0.0956814), wk = 0.0034364 k( 163) = ( 0.1020601 0.0000000 -0.1020601), wk = 0.0034364 k( 164) = ( 0.1084389 0.0000000 -0.1084389), wk = 0.0034364 k( 165) = ( 0.1148177 0.0000000 -0.1148177), wk = 0.0034364 k( 166) = ( 0.1211964 0.0000000 -0.1211964), wk = 0.0034364 k( 167) = ( 0.1275752 0.0000000 -0.1275752), wk = 0.0034364 k( 168) = ( 0.1339539 0.0000000 -0.1339539), wk = 0.0034364 k( 169) = ( 0.1403327 0.0000000 -0.1403327), wk = 0.0034364 k( 170) = ( 0.1467115 0.0000000 -0.1467115), wk = 0.0034364 k( 171) = ( 0.1530902 0.0000000 -0.1530902), wk = 0.0034364 k( 172) = ( 0.1594690 0.0000000 -0.1594690), wk = 0.0034364 k( 173) = ( 0.1658477 0.0000000 -0.1658477), wk = 0.0034364 k( 174) = ( 0.1722265 0.0000000 -0.1722265), wk = 0.0034364 k( 175) = ( 0.1786052 0.0000000 -0.1786052), wk = 0.0034364 k( 176) = ( 0.1849840 0.0000000 -0.1849840), wk = 0.0034364 k( 177) = ( 0.1913628 0.0000000 -0.1913628), wk = 0.0034364 k( 178) = ( 0.1977415 0.0000000 -0.1977415), wk = 0.0034364 k( 179) = ( 0.2041203 0.0000000 -0.2041203), wk = 0.0034364 k( 180) = ( 0.2104990 0.0000000 -0.2104990), wk = 0.0034364 k( 181) = ( 0.2168778 0.0000000 -0.2168778), wk = 0.0034364 k( 182) = ( 0.2232566 0.0000000 -0.2232566), wk = 0.0034364 k( 183) = ( 0.2296353 0.0000000 -0.2296353), wk = 0.0034364 k( 184) = ( 0.2360141 0.0000000 -0.2360141), wk = 0.0034364 k( 185) = ( 0.2423928 0.0000000 -0.2423928), wk = 0.0034364 k( 186) = ( 0.2487716 0.0000000 -0.2487716), wk = 0.0034364 k( 187) = ( 0.2551504 0.0000000 -0.2551504), wk = 0.0034364 k( 188) = ( 0.2615291 0.0000000 -0.2615291), wk = 0.0034364 k( 189) = ( 0.2679079 0.0000000 -0.2679079), wk = 0.0034364 k( 190) = ( 0.2742866 0.0000000 -0.2742866), wk = 0.0034364 k( 191) = ( 0.2806654 0.0000000 -0.2806654), wk = 0.0034364 k( 192) = ( 0.2870441 0.0000000 -0.2870441), wk = 0.0034364 k( 193) = ( 0.2934229 0.0000000 -0.2934229), wk = 0.0034364 k( 194) = ( 0.2998017 0.0000000 -0.2998017), wk = 0.0034364 k( 195) = ( 0.3061804 0.0000000 -0.3061804), wk = 0.0034364 k( 196) = ( 0.3125592 0.0000000 -0.3125592), wk = 0.0034364 k( 197) = ( 0.3189380 0.0000000 -0.3189379), wk = 0.0034364 k( 198) = ( 0.3253167 0.0000000 -0.3253167), wk = 0.0034364 k( 199) = ( 0.3316955 0.0000000 -0.3316955), wk = 0.0034364 k( 200) = ( 0.3380742 0.0000000 -0.3380742), wk = 0.0034364 k( 201) = ( 0.6619258 0.3380742 0.0000000), wk = 0.0034364 k( 202) = ( 0.6556979 0.3443021 0.0000000), wk = 0.0034364 k( 203) = ( 0.6494699 0.3505301 0.0000000), wk = 0.0034364 k( 204) = ( 0.6432420 0.3567580 0.0000000), wk = 0.0034364 k( 205) = ( 0.6370141 0.3629859 0.0000000), wk = 0.0034364 k( 206) = ( 0.6307862 0.3692138 0.0000000), wk = 0.0034364 k( 207) = ( 0.6245583 0.3754417 0.0000000), wk = 0.0034364 k( 208) = ( 0.6183304 0.3816696 0.0000000), wk = 0.0034364 k( 209) = ( 0.6121025 0.3878975 0.0000000), wk = 0.0034364 k( 210) = ( 0.6058746 0.3941255 0.0000000), wk = 0.0034364 k( 211) = ( 0.5996466 0.4003534 0.0000000), wk = 0.0034364 k( 212) = ( 0.5934187 0.4065813 0.0000000), wk = 0.0034364 k( 213) = ( 0.5871908 0.4128092 0.0000000), wk = 0.0034364 k( 214) = ( 0.5809629 0.4190371 0.0000000), wk = 0.0034364 k( 215) = ( 0.5747350 0.4252650 0.0000000), wk = 0.0034364 k( 216) = ( 0.5685071 0.4314929 0.0000000), wk = 0.0034364 k( 217) = ( 0.5622791 0.4377209 0.0000000), wk = 0.0034364 k( 218) = ( 0.5560512 0.4439488 0.0000000), wk = 0.0034364 k( 219) = ( 0.5498233 0.4501767 0.0000000), wk = 0.0034364 k( 220) = ( 0.5435954 0.4564046 0.0000000), wk = 0.0034364 k( 221) = ( 0.5373675 0.4626325 0.0000000), wk = 0.0034364 k( 222) = ( 0.5311396 0.4688604 0.0000000), wk = 0.0034364 k( 223) = ( 0.5249117 0.4750883 0.0000000), wk = 0.0034364 k( 224) = ( 0.5186837 0.4813163 0.0000000), wk = 0.0034364 k( 225) = ( 0.5124558 0.4875442 0.0000000), wk = 0.0034364 k( 226) = ( 0.5062279 0.4937721 0.0000000), wk = 0.0034364 k( 227) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 229) = ( 0.5269876 0.5269876 0.0293581), wk = 0.0034364 k( 230) = ( 0.5539753 0.5539753 0.0587162), wk = 0.0034364 k( 231) = ( 0.5809629 0.5809629 0.0880742), wk = 0.0034364 k( 232) = ( 0.6079505 0.6079505 0.1174323), wk = 0.0034364 k( 233) = ( 0.6349381 0.6349382 0.1467904), wk = 0.0034364 k( 234) = ( 0.6619258 0.6619258 0.1761485), wk = 0.0034364 k( 235) = ( 0.6619258 0.6619258 0.1761485), wk = 0.0034364 k( 236) = ( 0.6582456 0.6582456 0.1835087), wk = 0.0034364 k( 237) = ( 0.6545655 0.6545655 0.1908690), wk = 0.0034364 k( 238) = ( 0.6508854 0.6508854 0.1982292), wk = 0.0034364 k( 239) = ( 0.6472052 0.6472053 0.2055895), wk = 0.0034364 k( 240) = ( 0.6435251 0.6435251 0.2129498), wk = 0.0034364 k( 241) = ( 0.6398450 0.6398450 0.2203100), wk = 0.0034364 k( 242) = ( 0.6361649 0.6361649 0.2276703), wk = 0.0034364 k( 243) = ( 0.6324847 0.6324847 0.2350306), wk = 0.0034364 k( 244) = ( 0.6288046 0.6288046 0.2423908), wk = 0.0034364 k( 245) = ( 0.6251245 0.6251245 0.2497511), wk = 0.0034364 k( 246) = ( 0.6214443 0.6214443 0.2571113), wk = 0.0034364 k( 247) = ( 0.6177642 0.6177642 0.2644716), wk = 0.0034364 k( 248) = ( 0.6140841 0.6140841 0.2718319), wk = 0.0034364 k( 249) = ( 0.6104039 0.6104039 0.2791921), wk = 0.0034364 k( 250) = ( 0.6067238 0.6067238 0.2865524), wk = 0.0034364 k( 251) = ( 0.6030437 0.6030437 0.2939127), wk = 0.0034364 k( 252) = ( 0.5993635 0.5993635 0.3012729), wk = 0.0034364 k( 253) = ( 0.5956834 0.5956834 0.3086332), wk = 0.0034364 k( 254) = ( 0.5920033 0.5920033 0.3159934), wk = 0.0034364 k( 255) = ( 0.5883232 0.5883232 0.3233537), wk = 0.0034364 k( 256) = ( 0.5846430 0.5846430 0.3307140), wk = 0.0034364 k( 257) = ( 0.5809629 0.5809629 0.3380742), wk = 0.0034364 k( 258) = ( 0.5772828 0.5772828 0.3454345), wk = 0.0034364 k( 259) = ( 0.5736026 0.5736026 0.3527948), wk = 0.0034364 k( 260) = ( 0.5699225 0.5699225 0.3601550), wk = 0.0034364 k( 261) = ( 0.5662424 0.5662424 0.3675153), wk = 0.0034364 k( 262) = ( 0.5625622 0.5625622 0.3748755), wk = 0.0034364 k( 263) = ( 0.5588821 0.5588821 0.3822358), wk = 0.0034364 k( 264) = ( 0.5552020 0.5552020 0.3895961), wk = 0.0034364 k( 265) = ( 0.5515218 0.5515218 0.3969563), wk = 0.0034364 k( 266) = ( 0.5478417 0.5478417 0.4043166), wk = 0.0034364 k( 267) = ( 0.5441616 0.5441616 0.4116768), wk = 0.0034364 k( 268) = ( 0.5404814 0.5404814 0.4190371), wk = 0.0034364 k( 269) = ( 0.5368013 0.5368013 0.4263974), wk = 0.0034364 k( 270) = ( 0.5331212 0.5331212 0.4337576), wk = 0.0034364 k( 271) = ( 0.5294410 0.5294411 0.4411179), wk = 0.0034364 k( 272) = ( 0.5257609 0.5257609 0.4484782), wk = 0.0034364 k( 273) = ( 0.5220808 0.5220808 0.4558384), wk = 0.0034364 k( 274) = ( 0.5184007 0.5184007 0.4631987), wk = 0.0034364 k( 275) = ( 0.5147205 0.5147205 0.4705590), wk = 0.0034364 k( 276) = ( 0.5110404 0.5110404 0.4779192), wk = 0.0034364 k( 277) = ( 0.5073603 0.5073603 0.4852795), wk = 0.0034364 k( 278) = ( 0.5036801 0.5036801 0.4926397), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 280) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 281) = ( 0.5294410 0.0307340 0.0307340), wk = 0.0034364 k( 282) = ( 0.5588821 0.0614680 0.0614680), wk = 0.0034364 k( 283) = ( 0.5883232 0.0922021 0.0922021), wk = 0.0034364 k( 284) = ( 0.6177642 0.1229361 0.1229361), wk = 0.0034364 k( 285) = ( 0.6472052 0.1536701 0.1536701), wk = 0.0034364 k( 286) = ( 0.6766463 0.1844041 0.1844041), wk = 0.0034364 k( 287) = ( 0.7060874 0.2151381 0.2151381), wk = 0.0034364 k( 288) = ( 0.7355284 0.2458722 0.2458722), wk = 0.0034364 k( 289) = ( 0.7649695 0.2766062 0.2766062), wk = 0.0034364 k( 290) = ( 0.7944105 0.3073402 0.3073402), wk = 0.0034364 k( 291) = ( 0.8238515 0.3380742 0.3380742), wk = 0.0034364 Dense grid: 50679 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 33369 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 246, 52) NL pseudopotentials 0.21 Mb ( 123, 110) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1408) G-vector shells 0.01 Mb ( 1152) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 246, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.17 Mb ( 110, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./In2Se3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.6 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 11.2 secs Computing kpt #: 8 total cpu time spent up to now is 12.4 secs Computing kpt #: 9 total cpu time spent up to now is 13.7 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.6 secs Computing kpt #: 13 total cpu time spent up to now is 18.9 secs Computing kpt #: 14 total cpu time spent up to now is 20.2 secs Computing kpt #: 15 total cpu time spent up to now is 21.5 secs Computing kpt #: 16 total cpu time spent up to now is 22.7 secs Computing kpt #: 17 total cpu time spent up to now is 24.0 secs Computing kpt #: 18 total cpu time spent up to now is 25.2 secs Computing kpt #: 19 total cpu time spent up to now is 26.5 secs Computing kpt #: 20 total cpu time spent up to now is 27.7 secs Computing kpt #: 21 total cpu time spent up to now is 29.0 secs Computing kpt #: 22 total cpu time spent up to now is 30.0 secs Computing kpt #: 23 total cpu time spent up to now is 31.1 secs Computing kpt #: 24 total cpu time spent up to now is 32.1 secs Computing kpt #: 25 total cpu time spent up to now is 33.2 secs Computing kpt #: 26 total cpu time spent up to now is 34.2 secs Computing kpt #: 27 total cpu time spent up to now is 35.3 secs Computing kpt #: 28 total cpu time spent up to now is 36.3 secs Computing kpt #: 29 total cpu time spent up to now is 37.3 secs Computing kpt #: 30 total cpu time spent up to now is 38.4 secs Computing kpt #: 31 total cpu time spent up to now is 39.4 secs Computing kpt #: 32 total cpu time spent up to now is 40.4 secs Computing kpt #: 33 total cpu time spent up to now is 41.4 secs Computing kpt #: 34 total cpu time spent up to now is 42.5 secs Computing kpt #: 35 total cpu time spent up to now is 43.5 secs Computing kpt #: 36 total cpu time spent up to now is 44.5 secs Computing kpt #: 37 total cpu time spent up to now is 45.5 secs Computing kpt #: 38 total cpu time spent up to now is 46.6 secs Computing kpt #: 39 total cpu time spent up to now is 47.6 secs Computing kpt #: 40 total cpu time spent up to now is 48.6 secs Computing kpt #: 41 total cpu time spent up to now is 49.6 secs Computing kpt #: 42 total cpu time spent up to now is 50.6 secs Computing kpt #: 43 total cpu time spent up to now is 51.7 secs Computing kpt #: 44 total cpu time spent up to now is 52.7 secs Computing kpt #: 45 total cpu time spent up to now is 53.7 secs Computing kpt #: 46 total cpu time spent up to now is 54.7 secs Computing kpt #: 47 total cpu time spent up to now is 55.7 secs Computing kpt #: 48 total cpu time spent up to now is 56.7 secs Computing kpt #: 49 total cpu time spent up to now is 57.7 secs Computing kpt #: 50 total cpu time spent up to now is 58.7 secs Computing kpt #: 51 total cpu time spent up to now is 59.8 secs Computing kpt #: 52 total cpu time spent up to now is 60.8 secs Computing kpt #: 53 total cpu time spent up to now is 61.8 secs Computing kpt #: 54 total cpu time spent up to now is 62.8 secs Computing kpt #: 55 total cpu time spent up to now is 63.9 secs Computing kpt #: 56 total cpu time spent up to now is 64.9 secs Computing kpt #: 57 total cpu time spent up to now is 65.9 secs Computing kpt #: 58 total cpu time spent up to now is 66.9 secs Computing kpt #: 59 total cpu time spent up to now is 68.0 secs Computing kpt #: 60 total cpu time spent up to now is 69.2 secs Computing kpt #: 61 total cpu time spent up to now is 70.2 secs Computing kpt #: 62 total cpu time spent up to now is 71.4 secs Computing kpt #: 63 total cpu time spent up to now is 72.4 secs Computing kpt #: 64 total cpu time spent up to now is 73.4 secs Computing kpt #: 65 total cpu time spent up to now is 74.4 secs Computing kpt #: 66 total cpu time spent up to now is 75.4 secs Computing kpt #: 67 total cpu time spent up to now is 76.7 secs Computing kpt #: 68 total cpu time spent up to now is 77.9 secs Computing kpt #: 69 total cpu time spent up to now is 79.2 secs Computing kpt #: 70 total cpu time spent up to now is 80.5 secs Computing kpt #: 71 total cpu time spent up to now is 81.8 secs Computing kpt #: 72 total cpu time spent up to now is 83.0 secs Computing kpt #: 73 total cpu time spent up to now is 84.2 secs Computing kpt #: 74 total cpu time spent up to now is 85.3 secs Computing kpt #: 75 total cpu time spent up to now is 86.3 secs Computing kpt #: 76 total cpu time spent up to now is 87.3 secs Computing kpt #: 77 total cpu time spent up to now is 88.4 secs Computing kpt #: 78 total cpu time spent up to now is 89.4 secs Computing kpt #: 79 total cpu time spent up to now is 90.4 secs Computing kpt #: 80 total cpu time spent up to now is 91.5 secs Computing kpt #: 81 total cpu time spent up to now is 92.5 secs Computing kpt #: 82 total cpu time spent up to now is 93.5 secs Computing kpt #: 83 total cpu time spent up to now is 94.5 secs Computing kpt #: 84 total cpu time spent up to now is 95.5 secs Computing kpt #: 85 total cpu time spent up to now is 96.5 secs Computing kpt #: 86 total cpu time spent up to now is 97.5 secs Computing kpt #: 87 total cpu time spent up to now is 98.5 secs Computing kpt #: 88 total cpu time spent up to now is 99.5 secs Computing kpt #: 89 total cpu time spent up to now is 100.5 secs Computing kpt #: 90 total cpu time spent up to now is 101.5 secs Computing kpt #: 91 total cpu time spent up to now is 102.5 secs Computing kpt #: 92 total cpu time spent up to now is 103.5 secs Computing kpt #: 93 total cpu time spent up to now is 104.5 secs Computing kpt #: 94 total cpu time spent up to now is 105.5 secs Computing kpt #: 95 total cpu time spent up to now is 106.5 secs Computing kpt #: 96 total cpu time spent up to now is 107.5 secs Computing kpt #: 97 total cpu time spent up to now is 108.5 secs Computing kpt #: 98 total cpu time spent up to now is 109.5 secs Computing kpt #: 99 total cpu time spent up to now is 110.6 secs Computing kpt #: 100 total cpu time spent up to now is 111.6 secs Computing kpt #: 101 total cpu time spent up to now is 112.7 secs Computing kpt #: 102 total cpu time spent up to now is 113.7 secs Computing kpt #: 103 total cpu time spent up to now is 114.7 secs Computing kpt #: 104 total cpu time spent up to now is 115.7 secs Computing kpt #: 105 total cpu time spent up to now is 116.7 secs Computing kpt #: 106 total cpu time spent up to now is 117.8 secs Computing kpt #: 107 total cpu time spent up to now is 118.8 secs Computing kpt #: 108 total cpu time spent up to now is 119.8 secs Computing kpt #: 109 total cpu time spent up to now is 120.8 secs Computing kpt #: 110 total cpu time spent up to now is 121.8 secs Computing kpt #: 111 total cpu time spent up to now is 122.8 secs Computing kpt #: 112 total cpu time spent up to now is 123.8 secs Computing kpt #: 113 total cpu time spent up to now is 124.9 secs Computing kpt #: 114 total cpu time spent up to now is 125.9 secs Computing kpt #: 115 total cpu time spent up to now is 126.9 secs Computing kpt #: 116 total cpu time spent up to now is 128.1 secs Computing kpt #: 117 total cpu time spent up to now is 129.4 secs Computing kpt #: 118 total cpu time spent up to now is 130.6 secs Computing kpt #: 119 total cpu time spent up to now is 131.9 secs Computing kpt #: 120 total cpu time spent up to now is 133.1 secs Computing kpt #: 121 total cpu time spent up to now is 134.3 secs Computing kpt #: 122 total cpu time spent up to now is 135.6 secs Computing kpt #: 123 total cpu time spent up to now is 136.8 secs Computing kpt #: 124 total cpu time spent up to now is 138.0 secs Computing kpt #: 125 total cpu time spent up to now is 139.0 secs Computing kpt #: 126 total cpu time spent up to now is 140.1 secs Computing kpt #: 127 total cpu time spent up to now is 141.1 secs Computing kpt #: 128 total cpu time spent up to now is 142.1 secs Computing kpt #: 129 total cpu time spent up to now is 143.1 secs Computing kpt #: 130 total cpu time spent up to now is 144.1 secs Computing kpt #: 131 total cpu time spent up to now is 145.1 secs Computing kpt #: 132 total cpu time spent up to now is 146.1 secs Computing kpt #: 133 total cpu time spent up to now is 147.2 secs Computing kpt #: 134 total cpu time spent up to now is 148.2 secs Computing kpt #: 135 total cpu time spent up to now is 149.2 secs Computing kpt #: 136 total cpu time spent up to now is 150.4 secs Computing kpt #: 137 total cpu time spent up to now is 151.7 secs Computing kpt #: 138 total cpu time spent up to now is 152.9 secs Computing kpt #: 139 total cpu time spent up to now is 154.1 secs Computing kpt #: 140 total cpu time spent up to now is 155.3 secs Computing kpt #: 141 total cpu time spent up to now is 156.5 secs Computing kpt #: 142 total cpu time spent up to now is 157.7 secs Computing kpt #: 143 total cpu time spent up to now is 158.9 secs Computing kpt #: 144 total cpu time spent up to now is 160.2 secs Computing kpt #: 145 total cpu time spent up to now is 161.5 secs Computing kpt #: 146 total cpu time spent up to now is 162.7 secs Computing kpt #: 147 total cpu time spent up to now is 164.0 secs Computing kpt #: 148 total cpu time spent up to now is 165.3 secs Computing kpt #: 149 total cpu time spent up to now is 166.6 secs Computing kpt #: 150 total cpu time spent up to now is 167.8 secs Computing kpt #: 151 total cpu time spent up to now is 169.1 secs Computing kpt #: 152 total cpu time spent up to now is 170.3 secs Computing kpt #: 153 total cpu time spent up to now is 171.6 secs Computing kpt #: 154 total cpu time spent up to now is 172.9 secs Computing kpt #: 155 total cpu time spent up to now is 174.1 secs Computing kpt #: 156 total cpu time spent up to now is 175.4 secs Computing kpt #: 157 total cpu time spent up to now is 176.8 secs Computing kpt #: 158 total cpu time spent up to now is 178.1 secs Computing kpt #: 159 total cpu time spent up to now is 179.5 secs Computing kpt #: 160 total cpu time spent up to now is 180.8 secs Computing kpt #: 161 total cpu time spent up to now is 182.2 secs Computing kpt #: 162 total cpu time spent up to now is 183.6 secs Computing kpt #: 163 total cpu time spent up to now is 185.0 secs Computing kpt #: 164 total cpu time spent up to now is 186.3 secs Computing kpt #: 165 total cpu time spent up to now is 187.6 secs Computing kpt #: 166 total cpu time spent up to now is 188.9 secs Computing kpt #: 167 total cpu time spent up to now is 190.2 secs Computing kpt #: 168 total cpu time spent up to now is 191.4 secs Computing kpt #: 169 total cpu time spent up to now is 192.6 secs Computing kpt #: 170 total cpu time spent up to now is 193.7 secs Computing kpt #: 171 total cpu time spent up to now is 194.7 secs Computing kpt #: 172 total cpu time spent up to now is 195.7 secs Computing kpt #: 173 total cpu time spent up to now is 196.8 secs Computing kpt #: 174 total cpu time spent up to now is 197.8 secs Computing kpt #: 175 total cpu time spent up to now is 198.8 secs Computing kpt #: 176 total cpu time spent up to now is 199.8 secs Computing kpt #: 177 total cpu time spent up to now is 200.8 secs Computing kpt #: 178 total cpu time spent up to now is 201.8 secs Computing kpt #: 179 total cpu time spent up to now is 202.8 secs Computing kpt #: 180 total cpu time spent up to now is 203.9 secs Computing kpt #: 181 total cpu time spent up to now is 204.9 secs Computing kpt #: 182 total cpu time spent up to now is 205.9 secs Computing kpt #: 183 total cpu time spent up to now is 206.9 secs Computing kpt #: 184 total cpu time spent up to now is 208.0 secs Computing kpt #: 185 total cpu time spent up to now is 209.0 secs Computing kpt #: 186 total cpu time spent up to now is 210.0 secs Computing kpt #: 187 total cpu time spent up to now is 211.1 secs Computing kpt #: 188 total cpu time spent up to now is 212.1 secs Computing kpt #: 189 total cpu time spent up to now is 213.3 secs Computing kpt #: 190 total cpu time spent up to now is 214.6 secs Computing kpt #: 191 total cpu time spent up to now is 215.8 secs Computing kpt #: 192 total cpu time spent up to now is 217.1 secs Computing kpt #: 193 total cpu time spent up to now is 218.3 secs Computing kpt #: 194 total cpu time spent up to now is 219.6 secs Computing kpt #: 195 total cpu time spent up to now is 220.9 secs Computing kpt #: 196 total cpu time spent up to now is 222.2 secs Computing kpt #: 197 total cpu time spent up to now is 223.4 secs Computing kpt #: 198 total cpu time spent up to now is 224.7 secs Computing kpt #: 199 total cpu time spent up to now is 226.3 secs Computing kpt #: 200 total cpu time spent up to now is 227.7 secs Computing kpt #: 201 total cpu time spent up to now is 229.0 secs Computing kpt #: 202 total cpu time spent up to now is 230.2 secs Computing kpt #: 203 total cpu time spent up to now is 231.5 secs Computing kpt #: 204 total cpu time spent up to now is 232.5 secs Computing kpt #: 205 total cpu time spent up to now is 233.5 secs Computing kpt #: 206 total cpu time spent up to now is 234.5 secs Computing kpt #: 207 total cpu time spent up to now is 235.6 secs Computing kpt #: 208 total cpu time spent up to now is 236.6 secs Computing kpt #: 209 total cpu time spent up to now is 237.6 secs Computing kpt #: 210 total cpu time spent up to now is 238.6 secs Computing kpt #: 211 total cpu time spent up to now is 239.6 secs Computing kpt #: 212 total cpu time spent up to now is 240.6 secs Computing kpt #: 213 total cpu time spent up to now is 241.6 secs Computing kpt #: 214 total cpu time spent up to now is 242.5 secs Computing kpt #: 215 total cpu time spent up to now is 243.5 secs Computing kpt #: 216 total cpu time spent up to now is 244.5 secs Computing kpt #: 217 total cpu time spent up to now is 245.5 secs Computing kpt #: 218 total cpu time spent up to now is 246.5 secs Computing kpt #: 219 total cpu time spent up to now is 247.5 secs Computing kpt #: 220 total cpu time spent up to now is 248.4 secs Computing kpt #: 221 total cpu time spent up to now is 249.4 secs Computing kpt #: 222 total cpu time spent up to now is 250.4 secs Computing kpt #: 223 total cpu time spent up to now is 251.4 secs Computing kpt #: 224 total cpu time spent up to now is 252.4 secs Computing kpt #: 225 total cpu time spent up to now is 253.5 secs Computing kpt #: 226 total cpu time spent up to now is 254.5 secs Computing kpt #: 227 total cpu time spent up to now is 255.5 secs Computing kpt #: 228 total cpu time spent up to now is 256.5 secs Computing kpt #: 229 total cpu time spent up to now is 257.7 secs Computing kpt #: 230 total cpu time spent up to now is 258.9 secs Computing kpt #: 231 total cpu time spent up to now is 260.2 secs Computing kpt #: 232 total cpu time spent up to now is 261.2 secs Computing kpt #: 233 total cpu time spent up to now is 262.2 secs Computing kpt #: 234 total cpu time spent up to now is 263.2 secs Computing kpt #: 235 total cpu time spent up to now is 264.2 secs Computing kpt #: 236 total cpu time spent up to now is 265.3 secs Computing kpt #: 237 total cpu time spent up to now is 266.3 secs Computing kpt #: 238 total cpu time spent up to now is 267.3 secs Computing kpt #: 239 total cpu time spent up to now is 268.3 secs Computing kpt #: 240 total cpu time spent up to now is 269.3 secs Computing kpt #: 241 total cpu time spent up to now is 270.3 secs Computing kpt #: 242 total cpu time spent up to now is 271.3 secs Computing kpt #: 243 total cpu time spent up to now is 272.3 secs Computing kpt #: 244 total cpu time spent up to now is 273.3 secs Computing kpt #: 245 total cpu time spent up to now is 274.3 secs Computing kpt #: 246 total cpu time spent up to now is 275.3 secs Computing kpt #: 247 total cpu time spent up to now is 276.2 secs Computing kpt #: 248 total cpu time spent up to now is 277.2 secs Computing kpt #: 249 total cpu time spent up to now is 278.2 secs Computing kpt #: 250 total cpu time spent up to now is 279.3 secs Computing kpt #: 251 total cpu time spent up to now is 280.3 secs Computing kpt #: 252 total cpu time spent up to now is 281.3 secs Computing kpt #: 253 total cpu time spent up to now is 282.3 secs Computing kpt #: 254 total cpu time spent up to now is 283.3 secs Computing kpt #: 255 total cpu time spent up to now is 284.4 secs Computing kpt #: 256 total cpu time spent up to now is 285.5 secs Computing kpt #: 257 total cpu time spent up to now is 286.5 secs Computing kpt #: 258 total cpu time spent up to now is 287.5 secs Computing kpt #: 259 total cpu time spent up to now is 288.6 secs Computing kpt #: 260 total cpu time spent up to now is 289.6 secs Computing kpt #: 261 total cpu time spent up to now is 290.7 secs Computing kpt #: 262 total cpu time spent up to now is 291.7 secs Computing kpt #: 263 total cpu time spent up to now is 292.7 secs Computing kpt #: 264 total cpu time spent up to now is 293.7 secs Computing kpt #: 265 total cpu time spent up to now is 294.7 secs Computing kpt #: 266 total cpu time spent up to now is 295.8 secs Computing kpt #: 267 total cpu time spent up to now is 297.0 secs Computing kpt #: 268 total cpu time spent up to now is 298.3 secs Computing kpt #: 269 total cpu time spent up to now is 299.6 secs Computing kpt #: 270 total cpu time spent up to now is 300.8 secs Computing kpt #: 271 total cpu time spent up to now is 302.1 secs Computing kpt #: 272 total cpu time spent up to now is 303.3 secs Computing kpt #: 273 total cpu time spent up to now is 304.5 secs Computing kpt #: 274 total cpu time spent up to now is 305.8 secs Computing kpt #: 275 total cpu time spent up to now is 306.8 secs Computing kpt #: 276 total cpu time spent up to now is 307.8 secs Computing kpt #: 277 total cpu time spent up to now is 308.8 secs Computing kpt #: 278 total cpu time spent up to now is 309.9 secs Computing kpt #: 279 total cpu time spent up to now is 310.9 secs Computing kpt #: 280 total cpu time spent up to now is 311.9 secs Computing kpt #: 281 total cpu time spent up to now is 312.9 secs Computing kpt #: 282 total cpu time spent up to now is 313.9 secs Computing kpt #: 283 total cpu time spent up to now is 315.0 secs Computing kpt #: 284 total cpu time spent up to now is 316.0 secs Computing kpt #: 285 total cpu time spent up to now is 317.0 secs Computing kpt #: 286 total cpu time spent up to now is 318.0 secs Computing kpt #: 287 total cpu time spent up to now is 319.0 secs Computing kpt #: 288 total cpu time spent up to now is 320.0 secs Computing kpt #: 289 total cpu time spent up to now is 321.0 secs Computing kpt #: 290 total cpu time spent up to now is 322.0 secs Computing kpt #: 291 total cpu time spent up to now is 323.0 secs ethr = 2.27E-08, avg # of iterations = 20.5 total cpu time spent up to now is 323.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4195 PWs) bands (ev): -8.4693 -8.4693 -8.4589 -8.4589 -8.4559 -8.4559 -8.4527 -8.4527 -7.8640 -7.8640 -7.6835 -7.6835 -7.6223 -7.6223 -7.6027 -7.6027 -7.5968 -7.5968 -7.5821 -7.5821 -7.5444 -7.5444 -7.1680 -7.1680 -5.0699 -5.0699 1.0876 1.0876 1.7560 1.7560 4.3055 4.3055 4.5347 4.5347 4.5865 4.5865 4.8413 4.8413 4.9508 4.9508 5.8050 5.8050 6.2538 6.2538 6.5567 6.5567 8.3164 8.3164 8.6023 8.6023 10.5394 10.5394 k = 0.0109-0.0254-0.0151 ( 4188 PWs) bands (ev): -8.4704 -8.4704 -8.4592 -8.4592 -8.4550 -8.4550 -8.4526 -8.4526 -7.8643 -7.8643 -7.6829 -7.6829 -7.6230 -7.6230 -7.6027 -7.6027 -7.5963 -7.5963 -7.5819 -7.5819 -7.5438 -7.5438 -7.1665 -7.1665 -5.0698 -5.0698 1.0872 1.0872 1.7567 1.7567 4.3023 4.3023 4.5106 4.5106 4.5900 4.5900 4.7984 4.7984 5.0085 5.0085 5.7979 5.7979 6.2574 6.2574 6.5569 6.5569 8.3247 8.3247 8.5976 8.5976 10.5379 10.5379 k = 0.0217-0.0508-0.0301 ( 4184 PWs) bands (ev): -8.4731 -8.4731 -8.4598 -8.4598 -8.4534 -8.4534 -8.4521 -8.4521 -7.8652 -7.8652 -7.6815 -7.6815 -7.6251 -7.6251 -7.6026 -7.6026 -7.5950 -7.5950 -7.5814 -7.5814 -7.5422 -7.5422 -7.1620 -7.1620 -5.0693 -5.0693 1.0860 1.0860 1.7587 1.7587 4.2920 4.2920 4.4515 4.4515 4.5874 4.5874 4.7475 4.7475 5.1047 5.1047 5.7774 5.7774 6.2677 6.2677 6.5581 6.5581 8.3484 8.3484 8.5842 8.5842 10.5340 10.5340 k = 0.0326-0.0761-0.0452 ( 4174 PWs) bands (ev): -8.4767 -8.4767 -8.4604 -8.4604 -8.4525 -8.4525 -8.4506 -8.4506 -7.8666 -7.8666 -7.6794 -7.6794 -7.6278 -7.6278 -7.6024 -7.6024 -7.5933 -7.5933 -7.5804 -7.5804 -7.5394 -7.5394 -7.1547 -7.1547 -5.0686 -5.0686 1.0839 1.0839 1.7620 1.7620 4.2698 4.2698 4.3737 4.3737 4.5719 4.5719 4.7172 4.7172 5.2043 5.2043 5.7466 5.7466 6.2838 6.2838 6.5609 6.5609 8.3821 8.3821 8.5668 8.5668 10.5290 10.5290 k = 0.0435-0.1015-0.0603 ( 4168 PWs) bands (ev): -8.4810 -8.4810 -8.4612 -8.4612 -8.4520 -8.4520 -8.4488 -8.4488 -7.8684 -7.8684 -7.6774 -7.6774 -7.6305 -7.6305 -7.6022 -7.6022 -7.5915 -7.5915 -7.5792 -7.5792 -7.5351 -7.5351 -7.1445 -7.1445 -5.0676 -5.0676 1.0810 1.0810 1.7665 1.7665 4.2146 4.2146 4.3083 4.3083 4.5463 4.5463 4.7012 4.7012 5.2968 5.2968 5.7118 5.7118 6.3040 6.3040 6.5667 6.5667 8.4092 8.4092 8.5604 8.5604 10.5243 10.5243 k = 0.0543-0.1269-0.0753 ( 4171 PWs) bands (ev): -8.4857 -8.4857 -8.4621 -8.4621 -8.4516 -8.4516 -8.4471 -8.4471 -7.8704 -7.8704 -7.6761 -7.6761 -7.6326 -7.6326 -7.6019 -7.6019 -7.5897 -7.5897 -7.5778 -7.5778 -7.5290 -7.5290 -7.1317 -7.1317 -5.0663 -5.0663 1.0772 1.0772 1.7721 1.7721 4.1174 4.1174 4.2723 4.2723 4.5145 4.5145 4.6905 4.6905 5.3667 5.3667 5.6880 5.6880 6.3270 6.3270 6.5766 6.5766 8.4007 8.4007 8.5926 8.5926 10.5205 10.5205 k = 0.0652-0.1523-0.0904 ( 4172 PWs) bands (ev): -8.4906 -8.4906 -8.4632 -8.4632 -8.4511 -8.4511 -8.4458 -8.4458 -7.8726 -7.8726 -7.6762 -7.6762 -7.6335 -7.6335 -7.6017 -7.6017 -7.5880 -7.5880 -7.5762 -7.5762 -7.5208 -7.5208 -7.1164 -7.1164 -5.0648 -5.0648 1.0725 1.0725 1.7787 1.7787 4.0046 4.0046 4.2440 4.2440 4.4787 4.4787 4.6806 4.6806 5.3886 5.3886 5.7012 5.7012 6.3511 6.3511 6.5916 6.5916 8.3585 8.3585 8.6602 8.6602 10.5181 10.5181 k = 0.0761-0.1777-0.1055 ( 4171 PWs) bands (ev): -8.4958 -8.4958 -8.4644 -8.4644 -8.4507 -8.4507 -8.4447 -8.4447 -7.8747 -7.8747 -7.6781 -7.6781 -7.6332 -7.6332 -7.6014 -7.6014 -7.5864 -7.5864 -7.5746 -7.5746 -7.5103 -7.5103 -7.0988 -7.0988 -5.0631 -5.0631 1.0668 1.0668 1.7862 1.7862 3.8869 3.8869 4.2156 4.2156 4.4400 4.4400 4.6693 4.6693 5.3557 5.3557 5.7591 5.7591 6.3751 6.3751 6.6126 6.6126 8.2992 8.2992 8.7454 8.7454 10.5165 10.5165 k = 0.0870-0.2031-0.1205 ( 4174 PWs) bands (ev): -8.5011 -8.5011 -8.4659 -8.4659 -8.4502 -8.4502 -8.4440 -8.4440 -7.8768 -7.8768 -7.6816 -7.6816 -7.6318 -7.6318 -7.6012 -7.6012 -7.5849 -7.5849 -7.5731 -7.5731 -7.4972 -7.4972 -7.0790 -7.0790 -5.0612 -5.0612 1.0601 1.0601 1.7942 1.7942 3.7676 3.7676 4.1855 4.1855 4.3987 4.3987 4.6558 4.6558 5.2913 5.2913 5.8397 5.8397 6.3981 6.3981 6.6398 6.6398 8.2302 8.2302 8.8398 8.8398 10.5146 10.5146 k = 0.0978-0.2284-0.1356 ( 4174 PWs) bands (ev): -8.5065 -8.5065 -8.4676 -8.4676 -8.4498 -8.4498 -8.4434 -8.4434 -7.8786 -7.8786 -7.6862 -7.6862 -7.6300 -7.6300 -7.6010 -7.6010 -7.5834 -7.5834 -7.5716 -7.5716 -7.4815 -7.4815 -7.0572 -7.0572 -5.0593 -5.0593 1.0523 1.0523 1.8026 1.8026 3.6485 3.6485 4.1535 4.1535 4.3553 4.3553 4.6400 4.6400 5.2122 5.2122 5.9268 5.9268 6.4197 6.4197 6.6725 6.6725 8.1546 8.1546 8.9396 8.9396 10.5104 10.5104 k = 0.1087-0.2538-0.1507 ( 4172 PWs) bands (ev): -8.5120 -8.5120 -8.4696 -8.4696 -8.4494 -8.4494 -8.4431 -8.4431 -7.8802 -7.8802 -7.6914 -7.6914 -7.6281 -7.6281 -7.6009 -7.6009 -7.5820 -7.5820 -7.5701 -7.5701 -7.4633 -7.4633 -7.0335 -7.0335 -5.0572 -5.0572 1.0434 1.0434 1.8110 1.8110 3.5306 3.5306 4.1196 4.1196 4.3100 4.3100 4.6217 4.6217 5.1263 5.1263 6.0135 6.0135 6.4402 6.4402 6.7098 6.7098 8.0745 8.0745 9.0421 9.0421 10.5010 10.5010 k = 0.1196-0.2792-0.1657 ( 4175 PWs) bands (ev): -8.5176 -8.5176 -8.4719 -8.4719 -8.4491 -8.4491 -8.4429 -8.4429 -7.8816 -7.8816 -7.6971 -7.6971 -7.6263 -7.6263 -7.6008 -7.6008 -7.5806 -7.5806 -7.5688 -7.5688 -7.4427 -7.4427 -7.0082 -7.0082 -5.0552 -5.0552 1.0333 1.0333 1.8189 1.8189 3.4150 3.4150 4.0841 4.0841 4.2629 4.2629 4.6012 4.6012 5.0375 5.0375 6.0963 6.0963 6.4605 6.4605 6.7502 6.7502 7.9918 7.9918 9.1453 9.1453 10.4825 10.4825 k = 0.1304-0.3046-0.1808 ( 4171 PWs) bands (ev): -8.5231 -8.5231 -8.4745 -8.4745 -8.4488 -8.4488 -8.4427 -8.4427 -7.8826 -7.8826 -7.7029 -7.7029 -7.6246 -7.6246 -7.6008 -7.6008 -7.5793 -7.5793 -7.5674 -7.5674 -7.4199 -7.4199 -6.9813 -6.9813 -5.0532 -5.0532 1.0219 1.0219 1.8256 1.8256 3.3026 3.3026 4.0468 4.0468 4.2141 4.2141 4.5784 4.5784 4.9485 4.9485 6.1729 6.1729 6.4816 6.4816 6.7917 6.7917 7.9082 7.9082 9.2473 9.2473 10.4516 10.4516 k = 0.1413-0.3300-0.1959 ( 4173 PWs) bands (ev): -8.5286 -8.5286 -8.4775 -8.4775 -8.4486 -8.4486 -8.4426 -8.4426 -7.8833 -7.8833 -7.7088 -7.7088 -7.6231 -7.6231 -7.6008 -7.6008 -7.5779 -7.5779 -7.5661 -7.5661 -7.3950 -7.3950 -6.9530 -6.9530 -5.0514 -5.0514 1.0093 1.0093 1.8304 1.8304 3.1944 3.1944 4.0076 4.0076 4.1639 4.1639 4.5537 4.5537 4.8614 4.8614 6.2409 6.2409 6.5050 6.5050 6.8323 6.8323 7.8257 7.8257 9.3465 9.3465 10.4066 10.4066 k = 0.1522-0.3554-0.2109 ( 4167 PWs) bands (ev): -8.5341 -8.5341 -8.4808 -8.4808 -8.4485 -8.4485 -8.4424 -8.4424 -7.8837 -7.8837 -7.7146 -7.7146 -7.6218 -7.6218 -7.6008 -7.6008 -7.5766 -7.5766 -7.5648 -7.5648 -7.3681 -7.3681 -6.9234 -6.9234 -5.0497 -5.0497 0.9954 0.9954 1.8322 1.8322 3.0919 3.0919 3.9661 3.9661 4.1125 4.1125 4.5272 4.5272 4.7780 4.7780 6.2978 6.2978 6.5323 6.5323 6.8697 6.8697 7.7468 7.7468 9.4411 9.4411 10.3489 10.3489 k = 0.1630-0.3807-0.2260 ( 4163 PWs) bands (ev): -8.5395 -8.5395 -8.4845 -8.4845 -8.4485 -8.4485 -8.4423 -8.4423 -7.8837 -7.8837 -7.7204 -7.7204 -7.6207 -7.6207 -7.6009 -7.6009 -7.5754 -7.5754 -7.5634 -7.5634 -7.3394 -7.3394 -6.8926 -6.8926 -5.0483 -5.0483 0.9802 0.9802 1.8297 1.8297 2.9965 2.9965 3.9212 3.9212 4.0607 4.0607 4.4990 4.4990 4.7000 4.7000 6.3421 6.3421 6.5642 6.5642 6.9015 6.9015 7.6741 7.6741 9.5294 9.5294 10.2816 10.2816 k = 0.1739-0.4061-0.2410 ( 4159 PWs) bands (ev): -8.5449 -8.5449 -8.4885 -8.4885 -8.4485 -8.4485 -8.4420 -8.4420 -7.8835 -7.8835 -7.7260 -7.7260 -7.6197 -7.6197 -7.6010 -7.6010 -7.5741 -7.5741 -7.5621 -7.5621 -7.3090 -7.3090 -6.8608 -6.8608 -5.0472 -5.0472 0.9638 0.9638 1.8213 1.8213 2.9099 2.9099 3.8718 3.8718 4.0094 4.0094 4.4693 4.4693 4.6288 4.6288 6.3737 6.3737 6.5990 6.5990 6.9252 6.9252 7.6113 7.6113 9.6095 9.6095 10.2089 10.2089 k = 0.1848-0.4315-0.2561 ( 4153 PWs) bands (ev): -8.5501 -8.5501 -8.4928 -8.4928 -8.4485 -8.4485 -8.4418 -8.4418 -7.8830 -7.8830 -7.7314 -7.7314 -7.6188 -7.6188 -7.6011 -7.6011 -7.5728 -7.5728 -7.5608 -7.5608 -7.2770 -7.2770 -6.8281 -6.8281 -5.0466 -5.0466 0.9461 0.9461 1.8052 1.8052 2.8340 2.8340 3.8164 3.8164 3.9599 3.9599 4.4383 4.4383 4.5658 4.5658 6.3945 6.3945 6.6319 6.6319 6.9396 6.9396 7.5615 7.5615 9.6789 9.6789 10.1350 10.1350 k = 0.1957-0.4569-0.2712 ( 4153 PWs) bands (ev): -8.5552 -8.5552 -8.4974 -8.4974 -8.4485 -8.4485 -8.4414 -8.4414 -7.8823 -7.8823 -7.7366 -7.7366 -7.6180 -7.6180 -7.6012 -7.6012 -7.5716 -7.5716 -7.5594 -7.5594 -7.2436 -7.2436 -6.7945 -6.7945 -5.0465 -5.0465 0.9271 0.9271 1.7799 1.7799 2.7707 2.7707 3.7542 3.7542 3.9132 3.9132 4.4058 4.4058 4.5118 4.5118 6.4066 6.4066 6.6559 6.6559 6.9470 6.9470 7.5269 7.5269 9.7339 9.7339 10.0643 10.0643 k = 0.2065-0.4823-0.2862 ( 4157 PWs) bands (ev): -8.5602 -8.5602 -8.5022 -8.5022 -8.4485 -8.4485 -8.4411 -8.4411 -7.8813 -7.8813 -7.7417 -7.7417 -7.6173 -7.6173 -7.6013 -7.6013 -7.5703 -7.5703 -7.5581 -7.5581 -7.2087 -7.2087 -6.7603 -6.7603 -5.0469 -5.0469 0.9071 0.9071 1.7442 1.7442 2.7213 2.7213 3.6854 3.6854 3.8693 3.8693 4.3722 4.3722 4.4672 4.4672 6.4111 6.4111 6.6635 6.6635 6.9537 6.9537 7.5068 7.5068 9.7680 9.7680 10.0028 10.0028 k = 0.2174-0.5076-0.3013 ( 4159 PWs) bands (ev): -8.5650 -8.5650 -8.5072 -8.5072 -8.4485 -8.4485 -8.4408 -8.4408 -7.8801 -7.8801 -7.7465 -7.7465 -7.6167 -7.6167 -7.6014 -7.6014 -7.5690 -7.5690 -7.5567 -7.5567 -7.1725 -7.1725 -6.7255 -6.7255 -5.0481 -5.0481 0.8861 0.8861 1.6976 1.6976 2.6862 2.6862 3.6112 3.6112 3.8280 3.8280 4.3380 4.3380 4.4317 4.4317 6.4077 6.4077 6.6503 6.6503 6.9667 6.9667 7.4979 7.4979 9.7725 9.7725 9.9575 9.9575 k = 0.2283-0.5330-0.3164 ( 4159 PWs) bands (ev): -8.5697 -8.5697 -8.5124 -8.5124 -8.4485 -8.4485 -8.4404 -8.4404 -7.8787 -7.8787 -7.7512 -7.7512 -7.6161 -7.6161 -7.6015 -7.6015 -7.5677 -7.5677 -7.5554 -7.5554 -7.1351 -7.1351 -6.6902 -6.6902 -5.0500 -5.0500 0.8643 0.8643 1.6407 1.6407 2.6648 2.6648 3.5329 3.5329 3.7886 3.7886 4.3037 4.3037 4.4045 4.4045 6.3940 6.3940 6.6211 6.6211 6.9877 6.9877 7.4959 7.4959 9.7463 9.7463 9.9264 9.9264 k = 0.2391-0.5584-0.3314 ( 4155 PWs) bands (ev): -8.5742 -8.5742 -8.5177 -8.5177 -8.4485 -8.4485 -8.4401 -8.4401 -7.8771 -7.8771 -7.7556 -7.7556 -7.6157 -7.6157 -7.6016 -7.6016 -7.5664 -7.5664 -7.5540 -7.5540 -7.0965 -7.0965 -6.6546 -6.6546 -5.0527 -5.0527 0.8417 0.8417 1.5752 1.5752 2.6558 2.6558 3.4521 3.4521 3.7506 3.7506 4.2699 4.2699 4.3849 4.3849 6.3660 6.3660 6.5866 6.5866 7.0130 7.0130 7.4970 7.4970 9.7035 9.7035 9.8948 9.8948 k = 0.2500-0.5838-0.3465 ( 4161 PWs) bands (ev): -8.5785 -8.5785 -8.5231 -8.5231 -8.4485 -8.4485 -8.4398 -8.4398 -7.8754 -7.8754 -7.7599 -7.7599 -7.6153 -7.6153 -7.6017 -7.6017 -7.5651 -7.5651 -7.5527 -7.5527 -7.0569 -7.0569 -6.6188 -6.6188 -5.0564 -5.0564 0.8186 0.8186 1.5027 1.5027 2.6573 2.6573 3.3699 3.3699 3.7140 3.7140 4.2367 4.2367 4.3724 4.3724 6.3199 6.3199 6.5571 6.5571 7.0383 7.0383 7.4987 7.4987 9.6564 9.6564 9.8540 9.8540 k = 0.2609-0.6092-0.3616 ( 4161 PWs) bands (ev): -8.5827 -8.5827 -8.5286 -8.5286 -8.4484 -8.4484 -8.4395 -8.4395 -7.8736 -7.8736 -7.7640 -7.7640 -7.6149 -7.6149 -7.6017 -7.6017 -7.5637 -7.5637 -7.5514 -7.5514 -7.0163 -7.0163 -6.5829 -6.5829 -5.0610 -5.0610 0.7951 0.7951 1.4254 1.4254 2.6670 2.6670 3.2878 3.2878 3.6784 3.6784 4.2042 4.2042 4.3665 4.3665 6.2571 6.2571 6.5359 6.5359 7.0597 7.0597 7.5000 7.5000 9.6099 9.6099 9.8057 9.8057 k = 0.2717-0.6346-0.3766 ( 4163 PWs) bands (ev): -8.5866 -8.5866 -8.5341 -8.5341 -8.4483 -8.4483 -8.4392 -8.4392 -7.8716 -7.8716 -7.7679 -7.7679 -7.6146 -7.6146 -7.6017 -7.6017 -7.5623 -7.5623 -7.5502 -7.5502 -6.9748 -6.9748 -6.5472 -6.5472 -5.0667 -5.0667 0.7715 0.7715 1.3448 1.3448 2.6830 2.6830 3.2069 3.2069 3.6439 3.6439 4.1723 4.1723 4.3668 4.3668 6.1822 6.1822 6.5212 6.5212 7.0738 7.0738 7.5015 7.5015 9.5642 9.5642 9.7565 9.7565 k = 0.2826-0.6599-0.3917 ( 4157 PWs) bands (ev): -8.5904 -8.5904 -8.5395 -8.5395 -8.4482 -8.4482 -8.4389 -8.4389 -7.8696 -7.8696 -7.7716 -7.7716 -7.6144 -7.6144 -7.6017 -7.6017 -7.5610 -7.5610 -7.5489 -7.5489 -6.9325 -6.9325 -6.5116 -6.5116 -5.0735 -5.0735 0.7480 0.7480 1.2626 1.2626 2.7028 2.7028 3.1289 3.1289 3.6105 3.6105 4.1412 4.1412 4.3729 4.3729 6.1003 6.1003 6.5104 6.5104 7.0774 7.0774 7.5048 7.5048 9.5168 9.5168 9.7131 9.7131 k = 0.2935-0.6853-0.4068 ( 4158 PWs) bands (ev): -8.5939 -8.5939 -8.5450 -8.5450 -8.4481 -8.4481 -8.4386 -8.4386 -7.8675 -7.8675 -7.7752 -7.7752 -7.6142 -7.6142 -7.6016 -7.6016 -7.5596 -7.5596 -7.5477 -7.5477 -6.8896 -6.8896 -6.4765 -6.4765 -5.0814 -5.0814 0.7247 0.7247 1.1798 1.1798 2.7230 2.7230 3.0568 3.0568 3.5782 3.5782 4.1108 4.1108 4.3844 4.3844 6.0145 6.0145 6.5015 6.5015 7.0681 7.0681 7.5118 7.5118 9.4647 9.4647 9.6810 9.6810 k = 0.3043-0.7107-0.4218 ( 4160 PWs) bands (ev): -8.5973 -8.5973 -8.5503 -8.5503 -8.4479 -8.4479 -8.4384 -8.4384 -7.8653 -7.8653 -7.7787 -7.7787 -7.6140 -7.6140 -7.6016 -7.6016 -7.5582 -7.5582 -7.5466 -7.5466 -6.8461 -6.8461 -6.4420 -6.4420 -5.0905 -5.0905 0.7019 0.7019 1.0976 1.0976 2.7376 2.7376 2.9960 2.9960 3.5472 3.5472 4.0814 4.0814 4.4007 4.4007 5.9270 5.9270 6.4936 6.4936 7.0446 7.0446 7.5238 7.5238 9.4071 9.4071 9.6625 9.6625 k = 0.3152-0.7361-0.4369 ( 4162 PWs) bands (ev): -8.6004 -8.6004 -8.5556 -8.5556 -8.4478 -8.4478 -8.4382 -8.4382 -7.8631 -7.8631 -7.7819 -7.7819 -7.6139 -7.6139 -7.6015 -7.6015 -7.5568 -7.5568 -7.5455 -7.5455 -6.8022 -6.8022 -6.4081 -6.4081 -5.1008 -5.1008 0.6798 0.6798 1.0168 1.0168 2.7351 2.7351 2.9579 2.9579 3.5174 3.5174 4.0530 4.0530 4.4215 4.4215 5.8392 5.8392 6.4860 6.4860 7.0074 7.0074 7.5411 7.5411 9.3454 9.3454 9.6562 9.6562 k = 0.3261-0.7615-0.4520 ( 4169 PWs) bands (ev): -8.6033 -8.6033 -8.5607 -8.5607 -8.4476 -8.4476 -8.4380 -8.4380 -7.8608 -7.8608 -7.7851 -7.7851 -7.6138 -7.6138 -7.6014 -7.6014 -7.5555 -7.5555 -7.5445 -7.5445 -6.7580 -6.7580 -6.3752 -6.3752 -5.1123 -5.1123 0.6584 0.6584 0.9380 0.9380 2.7055 2.7055 2.9521 2.9521 3.4891 3.4891 4.0257 4.0257 4.4462 4.4462 5.7523 5.7523 6.4784 6.4784 6.9580 6.9580 7.5627 7.5627 9.2817 9.2817 9.6601 9.6601 k = 0.3370-0.7869-0.4670 ( 4171 PWs) bands (ev): -8.6060 -8.6060 -8.5657 -8.5657 -8.4474 -8.4474 -8.4378 -8.4378 -7.8585 -7.8585 -7.7881 -7.7881 -7.6137 -7.6137 -7.6012 -7.6012 -7.5541 -7.5541 -7.5435 -7.5435 -6.7136 -6.7136 -6.3435 -6.3435 -5.1249 -5.1249 0.6380 0.6380 0.8619 0.8619 2.6554 2.6554 2.9718 2.9718 3.4622 3.4622 3.9997 3.9997 4.4741 4.4741 5.6673 5.6673 6.4705 6.4705 6.8987 6.8987 7.5877 7.5877 9.2177 9.2177 9.6718 9.6718 k = 0.3478-0.8122-0.4821 ( 4173 PWs) bands (ev): -8.6084 -8.6084 -8.5706 -8.5706 -8.4473 -8.4473 -8.4377 -8.4377 -7.8562 -7.8562 -7.7911 -7.7911 -7.6137 -7.6137 -7.6011 -7.6011 -7.5528 -7.5528 -7.5426 -7.5426 -6.6693 -6.6693 -6.3130 -6.3130 -5.1385 -5.1385 0.6184 0.6184 0.7890 0.7890 2.5967 2.5967 3.0051 3.0051 3.4370 3.4370 3.9750 3.9750 4.5046 4.5046 5.5851 5.5851 6.4620 6.4620 6.8318 6.8318 7.6149 7.6149 9.1546 9.1546 9.6896 9.6896 k = 0.3587-0.8376-0.4972 ( 4173 PWs) bands (ev): -8.6106 -8.6106 -8.5752 -8.5752 -8.4471 -8.4471 -8.4375 -8.4375 -7.8539 -7.8539 -7.7939 -7.7939 -7.6137 -7.6137 -7.6010 -7.6010 -7.5515 -7.5515 -7.5418 -7.5418 -6.6252 -6.6252 -6.2842 -6.2842 -5.1531 -5.1531 0.5994 0.5994 0.7203 0.7203 2.5358 2.5358 3.0451 3.0451 3.4135 3.4135 3.9519 3.9519 4.5366 4.5366 5.5070 5.5070 6.4522 6.4522 6.7598 6.7598 7.6434 7.6434 9.0931 9.0931 9.7118 9.7118 k = 0.3696-0.8630-0.5122 ( 4177 PWs) bands (ev): -8.6125 -8.6125 -8.5797 -8.5797 -8.4469 -8.4469 -8.4374 -8.4374 -7.8516 -7.8516 -7.7966 -7.7966 -7.6137 -7.6137 -7.6008 -7.6008 -7.5502 -7.5502 -7.5410 -7.5410 -6.5814 -6.5814 -6.2570 -6.2570 -5.1685 -5.1685 0.5799 0.5799 0.6572 0.6572 2.4759 2.4759 3.0886 3.0886 3.3919 3.3919 3.9303 3.9303 4.5689 4.5689 5.4342 5.4342 6.4400 6.4400 6.6853 6.6853 7.6726 7.6726 9.0339 9.0339 9.7374 9.7374 k = 0.3804-0.8884-0.5273 ( 4173 PWs) bands (ev): -8.6142 -8.6142 -8.5840 -8.5840 -8.4467 -8.4467 -8.4373 -8.4373 -7.8493 -7.8493 -7.7992 -7.7992 -7.6137 -7.6137 -7.6007 -7.6007 -7.5489 -7.5489 -7.5404 -7.5404 -6.5383 -6.5383 -6.2319 -6.2319 -5.1846 -5.1846 0.5549 0.5549 0.6053 0.6053 2.4183 2.4183 3.1337 3.1337 3.3726 3.3726 3.9104 3.9104 4.5998 4.5998 5.3689 5.3689 6.4224 6.4224 6.6127 6.6127 7.7020 7.7020 8.9773 8.9773 9.7650 9.7650 k = 0.3913-0.9138-0.5424 ( 4175 PWs) bands (ev): -8.6156 -8.6156 -8.5881 -8.5881 -8.4465 -8.4465 -8.4373 -8.4373 -7.8471 -7.8471 -7.8018 -7.8018 -7.6137 -7.6137 -7.6005 -7.6005 -7.5477 -7.5477 -7.5398 -7.5398 -6.4961 -6.4961 -6.2090 -6.2090 -5.2011 -5.2011 0.5150 0.5150 0.5741 0.5741 2.3639 2.3639 3.1786 3.1786 3.3563 3.3563 3.8923 3.8923 4.6267 4.6267 5.3136 5.3136 6.3927 6.3927 6.5498 6.5498 7.7310 7.7310 8.9236 8.9236 9.7939 9.7939 k = 0.4022-0.9391-0.5574 ( 4181 PWs) bands (ev): -8.6168 -8.6168 -8.5919 -8.5919 -8.4463 -8.4463 -8.4372 -8.4372 -7.8448 -7.8448 -7.8043 -7.8043 -7.6137 -7.6137 -7.6004 -7.6004 -7.5466 -7.5466 -7.5393 -7.5393 -6.4550 -6.4550 -6.1886 -6.1886 -5.2178 -5.2178 0.4672 0.4672 0.5569 0.5569 2.3133 2.3133 3.2206 3.2206 3.3449 3.3449 3.8762 3.8762 4.6465 4.6465 5.2717 5.2717 6.3423 6.3423 6.5062 6.5062 7.7594 7.7594 8.8731 8.8731 9.8231 9.8231 k = 0.4130-0.9645-0.5725 ( 4174 PWs) bands (ev): -8.6177 -8.6177 -8.5955 -8.5955 -8.4462 -8.4462 -8.4372 -8.4372 -7.8425 -7.8425 -7.8067 -7.8067 -7.6137 -7.6137 -7.6003 -7.6003 -7.5455 -7.5455 -7.5389 -7.5389 -6.4153 -6.4153 -6.1709 -6.1709 -5.2343 -5.2343 0.4209 0.4209 0.5447 0.5447 2.2669 2.2669 3.2536 3.2536 3.3438 3.3438 3.8621 3.8621 4.6561 4.6561 5.2468 5.2468 6.2724 6.2724 6.4815 6.4815 7.7868 7.7868 8.8262 8.8262 9.8519 9.8519 k = 0.4239-0.9899-0.5876 ( 4170 PWs) bands (ev): -8.6184 -8.6184 -8.5989 -8.5989 -8.4460 -8.4460 -8.4371 -8.4371 -7.8403 -7.8403 -7.8091 -7.8091 -7.6137 -7.6137 -7.6002 -7.6002 -7.5444 -7.5444 -7.5386 -7.5386 -6.3774 -6.3774 -6.1562 -6.1562 -5.2504 -5.2504 0.3787 0.3787 0.5351 0.5351 2.2251 2.2251 3.2682 3.2682 3.3614 3.3614 3.8501 3.8501 4.6532 4.6532 5.2414 5.2414 6.1923 6.1923 6.4672 6.4672 7.8128 7.8128 8.7831 8.7831 9.8794 9.8794 k = 0.4348-1.0153-0.6026 ( 4164 PWs) bands (ev): -8.6188 -8.6188 -8.6020 -8.6020 -8.4459 -8.4459 -8.4371 -8.4371 -7.8380 -7.8380 -7.8114 -7.8114 -7.6137 -7.6137 -7.6001 -7.6001 -7.5435 -7.5435 -7.5383 -7.5383 -6.3418 -6.3418 -6.1445 -6.1445 -5.2656 -5.2656 0.3413 0.3413 0.5273 0.5273 2.1882 2.1882 3.2679 3.2679 3.3934 3.3934 3.8405 3.8405 4.6386 4.6386 5.2555 5.2555 6.1080 6.1080 6.4579 6.4579 7.8369 7.8369 8.7442 8.7442 9.9052 9.9052 k = 0.4457-1.0407-0.6177 ( 4171 PWs) bands (ev): -8.6189 -8.6189 -8.6048 -8.6048 -8.4458 -8.4458 -8.4371 -8.4371 -7.8358 -7.8358 -7.8137 -7.8137 -7.6137 -7.6137 -7.6000 -7.6000 -7.5426 -7.5426 -7.5382 -7.5382 -6.3088 -6.3088 -6.1362 -6.1362 -5.2795 -5.2795 0.3092 0.3092 0.5210 0.5210 2.1565 2.1565 3.2625 3.2625 3.4285 3.4285 3.8332 3.8332 4.6156 4.6156 5.2865 5.2865 6.0226 6.0226 6.4514 6.4514 7.8588 7.8588 8.7099 8.7099 9.9283 9.9283 k = 0.4565-1.0661-0.6328 ( 4172 PWs) bands (ev): -8.6188 -8.6188 -8.6074 -8.6074 -8.4457 -8.4457 -8.4371 -8.4371 -7.8336 -7.8336 -7.8159 -7.8159 -7.6138 -7.6138 -7.5999 -7.5999 -7.5417 -7.5417 -7.5382 -7.5382 -6.2790 -6.2790 -6.1311 -6.1311 -5.2916 -5.2916 0.2827 0.2827 0.5161 0.5161 2.1302 2.1302 3.2565 3.2565 3.4613 3.4613 3.8283 3.8283 4.5887 4.5887 5.3306 5.3306 5.9376 5.9376 6.4466 6.4466 7.8778 7.8778 8.6808 8.6808 9.9484 9.9484 k = 0.4674-1.0914-0.6478 ( 4168 PWs) bands (ev): -8.6184 -8.6184 -8.6097 -8.6097 -8.4456 -8.4456 -8.4371 -8.4371 -7.8315 -7.8315 -7.8182 -7.8182 -7.6138 -7.6138 -7.5998 -7.5998 -7.5410 -7.5410 -7.5383 -7.5383 -6.2532 -6.2532 -6.1291 -6.1291 -5.3016 -5.3016 0.2619 0.2619 0.5124 0.5124 2.1096 2.1096 3.2513 3.2513 3.4890 3.4890 3.8254 3.8254 4.5625 4.5625 5.3842 5.3842 5.8545 5.8545 6.4431 6.4431 7.8935 7.8935 8.6573 8.6573 9.9646 9.9646 k = 0.4783-1.1168-0.6629 ( 4168 PWs) bands (ev): -8.6178 -8.6178 -8.6117 -8.6117 -8.4455 -8.4455 -8.4371 -8.4371 -7.8293 -7.8293 -7.8203 -7.8203 -7.6138 -7.6138 -7.5998 -7.5998 -7.5404 -7.5404 -7.5384 -7.5384 -6.2326 -6.2326 -6.1295 -6.1295 -5.3090 -5.3090 0.2469 0.2469 0.5098 0.5098 2.0947 2.0947 3.2473 3.2473 3.5099 3.5099 3.8242 3.8242 4.5407 4.5407 5.4435 5.4435 5.7752 5.7752 6.4408 6.4408 7.9052 7.9052 8.6400 8.6400 9.9766 9.9766 k = 0.4891-1.1422-0.6780 ( 4172 PWs) bands (ev): -8.6170 -8.6170 -8.6134 -8.6134 -8.4455 -8.4455 -8.4371 -8.4371 -7.8272 -7.8272 -7.8224 -7.8224 -7.6138 -7.6138 -7.5998 -7.5998 -7.5399 -7.5399 -7.5386 -7.5386 -6.2187 -6.2187 -6.1311 -6.1311 -5.3136 -5.3136 0.2379 0.2379 0.5083 0.5083 2.0857 2.0857 3.2449 3.2449 3.5229 3.5229 3.8240 3.8240 4.5264 4.5264 5.5021 5.5021 5.7050 5.7050 6.4394 6.4394 7.9125 7.9125 8.6294 8.6294 9.9840 9.9840 k = 0.5000-1.1676-0.6930 ( 4164 PWs) bands (ev): -8.6164 -8.6164 -8.6141 -8.6141 -8.4455 -8.4455 -8.4371 -8.4371 -7.8258 -7.8258 -7.8239 -7.8239 -7.6138 -7.6138 -7.5998 -7.5998 -7.5397 -7.5397 -7.5387 -7.5387 -6.2137 -6.2137 -6.1320 -6.1320 -5.3152 -5.3152 0.2349 0.2349 0.5078 0.5078 2.0827 2.0827 3.2441 3.2441 3.5272 3.5272 3.8240 3.8240 4.5214 4.5214 5.5349 5.5349 5.6684 5.6684 6.4389 6.4389 7.9150 7.9150 8.6258 8.6258 9.9865 9.9865 k = 0.5000-1.1676-0.6930 ( 4164 PWs) bands (ev): -8.6164 -8.6164 -8.6141 -8.6141 -8.4455 -8.4455 -8.4371 -8.4371 -7.8258 -7.8258 -7.8239 -7.8239 -7.6138 -7.6138 -7.5998 -7.5998 -7.5397 -7.5397 -7.5387 -7.5387 -6.2137 -6.2137 -6.1320 -6.1320 -5.3152 -5.3152 0.2349 0.2349 0.5078 0.5078 2.0827 2.0827 3.2441 3.2441 3.5272 3.5272 3.8240 3.8240 4.5214 4.5214 5.5349 5.5349 5.6684 5.6684 6.4389 6.4389 7.9150 7.9150 8.6258 8.6258 9.9865 9.9865 k = 0.5000-1.1516-0.7199 ( 4170 PWs) bands (ev): -8.6173 -8.6173 -8.6133 -8.6133 -8.4455 -8.4455 -8.4370 -8.4370 -7.8279 -7.8279 -7.8219 -7.8219 -7.6137 -7.6137 -7.5997 -7.5997 -7.5400 -7.5400 -7.5385 -7.5385 -6.2130 -6.2130 -6.1315 -6.1315 -5.3154 -5.3154 0.2358 0.2358 0.5076 0.5076 2.0838 2.0838 3.2341 3.2341 3.5330 3.5330 3.8045 3.8045 4.5423 4.5423 5.5330 5.5330 5.6706 5.6706 6.4347 6.4347 7.9085 7.9085 8.6366 8.6366 9.9869 9.9869 k = 0.5000-1.1356-0.7469 ( 4176 PWs) bands (ev): -8.6188 -8.6188 -8.6120 -8.6120 -8.4457 -8.4457 -8.4366 -8.4366 -7.8308 -7.8308 -7.8194 -7.8194 -7.6136 -7.6136 -7.5997 -7.5997 -7.5405 -7.5405 -7.5381 -7.5381 -6.2110 -6.2110 -6.1300 -6.1300 -5.3159 -5.3159 0.2384 0.2384 0.5072 0.5072 2.0872 2.0872 3.2075 3.2075 3.5438 3.5438 3.7562 3.7562 4.5985 4.5985 5.5270 5.5270 5.6773 5.6773 6.4228 6.4228 7.8893 7.8893 8.6681 8.6681 9.9881 9.9881 k = 0.5000-1.1196-0.7738 ( 4174 PWs) bands (ev): -8.6205 -8.6205 -8.6105 -8.6105 -8.4460 -8.4460 -8.4361 -8.4361 -7.8339 -7.8339 -7.8170 -7.8170 -7.6134 -7.6134 -7.5996 -7.5996 -7.5411 -7.5411 -7.5377 -7.5377 -6.2077 -6.2077 -6.1276 -6.1276 -5.3169 -5.3169 0.2428 0.2428 0.5066 0.5066 2.0928 2.0928 3.1700 3.1700 3.5371 3.5371 3.7086 3.7086 4.6766 4.6766 5.5166 5.5166 5.6884 5.6884 6.4053 6.4053 7.8576 7.8576 8.7188 8.7188 9.9906 9.9906 k = 0.5000-1.1037-0.8007 ( 4170 PWs) bands (ev): -8.6221 -8.6221 -8.6092 -8.6092 -8.4463 -8.4463 -8.4353 -8.4353 -7.8370 -7.8370 -7.8148 -7.8148 -7.6131 -7.6131 -7.5994 -7.5994 -7.5417 -7.5417 -7.5374 -7.5374 -6.2031 -6.2031 -6.1242 -6.1242 -5.3182 -5.3182 0.2489 0.2489 0.5056 0.5056 2.1007 2.1007 3.1266 3.1266 3.4820 3.4820 3.6983 3.6983 4.7660 4.7660 5.5010 5.5010 5.7041 5.7041 6.3850 6.3850 7.8140 7.8140 8.7862 8.7862 9.9951 9.9951 k = 0.5000-1.0877-0.8276 ( 4170 PWs) bands (ev): -8.6238 -8.6238 -8.6079 -8.6079 -8.4466 -8.4466 -8.4345 -8.4345 -7.8402 -7.8402 -7.8127 -7.8127 -7.6127 -7.6127 -7.5993 -7.5993 -7.5423 -7.5423 -7.5370 -7.5370 -6.1972 -6.1972 -6.1198 -6.1198 -5.3200 -5.3200 0.2567 0.2567 0.5043 0.5043 2.1108 2.1108 3.0802 3.0802 3.3900 3.3900 3.7173 3.7173 4.8595 4.8595 5.4794 5.4794 5.7247 5.7247 6.3656 6.3656 7.7590 7.7590 8.8676 8.8676 10.0022 10.0022 k = 0.5000-1.0717-0.8546 ( 4172 PWs) bands (ev): -8.6255 -8.6255 -8.6067 -8.6067 -8.4470 -8.4470 -8.4336 -8.4336 -7.8435 -7.8435 -7.8109 -7.8109 -7.6123 -7.6123 -7.5990 -7.5990 -7.5430 -7.5430 -7.5368 -7.5368 -6.1901 -6.1901 -6.1146 -6.1146 -5.3223 -5.3223 0.2661 0.2661 0.5027 0.5027 2.1230 2.1230 3.0328 3.0328 3.2833 3.2833 3.7451 3.7451 4.9526 4.9526 5.4513 5.4513 5.7506 5.7506 6.3501 6.3501 7.6933 7.6933 8.9605 8.9605 10.0125 10.0125 k = 0.5000-1.0557-0.8815 ( 4172 PWs) bands (ev): -8.6272 -8.6272 -8.6056 -8.6056 -8.4473 -8.4473 -8.4325 -8.4325 -7.8467 -7.8467 -7.8092 -7.8092 -7.6119 -7.6119 -7.5988 -7.5988 -7.5436 -7.5436 -7.5366 -7.5366 -6.1818 -6.1818 -6.1086 -6.1086 -5.3250 -5.3250 0.2770 0.2770 0.5008 0.5008 2.1375 2.1375 2.9854 2.9854 3.1710 3.1710 3.7737 3.7737 5.0420 5.0420 5.4173 5.4173 5.7824 5.7824 6.3410 6.3410 7.6176 7.6176 9.0623 9.0623 10.0262 10.0262 k = 0.5000-1.0397-0.9084 ( 4174 PWs) bands (ev): -8.6289 -8.6289 -8.6046 -8.6046 -8.4476 -8.4476 -8.4314 -8.4314 -7.8499 -7.8499 -7.8077 -7.8077 -7.6114 -7.6114 -7.5984 -7.5984 -7.5442 -7.5442 -7.5365 -7.5365 -6.1723 -6.1723 -6.1018 -6.1018 -5.3282 -5.3282 0.2893 0.2893 0.4985 0.4985 2.1541 2.1541 2.9385 2.9385 3.0574 3.0574 3.7997 3.7997 5.1240 5.1240 5.3793 5.3793 5.8208 5.8208 6.3399 6.3399 7.5327 7.5327 9.1705 9.1705 10.0434 10.0434 k = 0.5000-1.0238-0.9353 ( 4168 PWs) bands (ev): -8.6305 -8.6305 -8.6037 -8.6037 -8.4479 -8.4479 -8.4303 -8.4303 -7.8530 -7.8530 -7.8065 -7.8065 -7.6109 -7.6109 -7.5981 -7.5981 -7.5447 -7.5447 -7.5364 -7.5364 -6.1617 -6.1617 -6.0942 -6.0942 -5.3320 -5.3320 0.3028 0.3028 0.4959 0.4959 2.1728 2.1728 2.8895 2.8895 2.9476 2.9476 3.8212 3.8212 5.1918 5.1918 5.3443 5.3443 5.8662 5.8662 6.3474 6.3474 7.4396 7.4396 9.2829 9.2829 10.0637 10.0637 k = 0.5000-1.0078-0.9623 ( 4162 PWs) bands (ev): -8.6320 -8.6320 -8.6029 -8.6029 -8.4482 -8.4482 -8.4292 -8.4292 -7.8560 -7.8560 -7.8054 -7.8054 -7.6104 -7.6104 -7.5977 -7.5977 -7.5452 -7.5452 -7.5364 -7.5364 -6.1501 -6.1501 -6.0860 -6.0860 -5.3363 -5.3363 0.3175 0.3175 0.4930 0.4930 2.1935 2.1935 2.8127 2.8127 2.8693 2.8693 3.8366 3.8366 5.2217 5.2217 5.3375 5.3375 5.9190 5.9190 6.3629 6.3629 7.3395 7.3395 9.3971 9.3971 10.0865 10.0865 k = 0.5000-0.9918-0.9892 ( 4162 PWs) bands (ev): -8.6336 -8.6336 -8.6022 -8.6022 -8.4484 -8.4484 -8.4280 -8.4280 -7.8590 -7.8590 -7.8045 -7.8045 -7.6100 -7.6100 -7.5972 -7.5972 -7.5457 -7.5457 -7.5364 -7.5364 -6.1375 -6.1375 -6.0773 -6.0773 -5.3413 -5.3413 0.3331 0.3331 0.4900 0.4900 2.2161 2.2161 2.7064 2.7064 2.8258 2.8258 3.8444 3.8444 5.1996 5.1996 5.3752 5.3752 5.9786 5.9786 6.3859 6.3859 7.2335 7.2335 9.5108 9.5108 10.1108 10.1108 k = 0.5000-0.9758-1.0161 ( 4160 PWs) bands (ev): -8.6350 -8.6350 -8.6016 -8.6016 -8.4486 -8.4486 -8.4268 -8.4268 -7.8618 -7.8618 -7.8037 -7.8037 -7.6096 -7.6096 -7.5967 -7.5967 -7.5461 -7.5461 -7.5365 -7.5365 -6.1240 -6.1240 -6.0680 -6.0680 -5.3468 -5.3468 0.3493 0.3493 0.4869 0.4869 2.2403 2.2403 2.5986 2.5986 2.7904 2.7904 3.8433 3.8433 5.1621 5.1621 5.4242 5.4242 6.0442 6.0442 6.4151 6.4151 7.1228 7.1228 9.6214 9.6214 10.1358 10.1358 k = 0.5000-0.9598-1.0430 ( 4164 PWs) bands (ev): -8.6365 -8.6365 -8.6012 -8.6012 -8.4488 -8.4488 -8.4257 -8.4257 -7.8644 -7.8644 -7.8031 -7.8031 -7.6092 -7.6092 -7.5962 -7.5962 -7.5465 -7.5465 -7.5366 -7.5366 -6.1098 -6.1098 -6.0583 -6.0583 -5.3531 -5.3531 0.3657 0.3657 0.4840 0.4840 2.2653 2.2653 2.4944 2.4944 2.7600 2.7600 3.8320 3.8320 5.1259 5.1259 5.4711 5.4711 6.1142 6.1142 6.4495 6.4495 7.0089 7.0089 9.7261 9.7261 10.1605 10.1605 k = 0.5000-0.9439-1.0700 ( 4166 PWs) bands (ev): -8.6378 -8.6378 -8.6008 -8.6008 -8.4489 -8.4489 -8.4246 -8.4246 -7.8669 -7.8669 -7.8026 -7.8026 -7.6088 -7.6088 -7.5957 -7.5957 -7.5467 -7.5467 -7.5367 -7.5367 -6.0950 -6.0950 -6.0482 -6.0482 -5.3599 -5.3599 0.3817 0.3817 0.4816 0.4816 2.2867 2.2867 2.3993 2.3993 2.7341 2.7341 3.8098 3.8098 5.0962 5.0962 5.5139 5.5139 6.1866 6.1866 6.4879 6.4879 6.8934 6.8934 9.8218 9.8218 10.1841 10.1841 k = 0.5000-0.9279-1.0969 ( 4160 PWs) bands (ev): -8.6390 -8.6390 -8.6006 -8.6006 -8.4491 -8.4491 -8.4235 -8.4235 -7.8692 -7.8692 -7.8023 -7.8023 -7.6085 -7.6085 -7.5952 -7.5952 -7.5469 -7.5469 -7.5369 -7.5369 -6.0798 -6.0798 -6.0379 -6.0379 -5.3675 -5.3675 0.3964 0.3964 0.4804 0.4804 2.2657 2.2657 2.3530 2.3530 2.7130 2.7130 3.7765 3.7765 5.0753 5.0753 5.5526 5.5526 6.2588 6.2588 6.5287 6.5287 6.7795 6.7795 9.9051 9.9051 10.2062 10.2062 k = 0.5000-0.9119-1.1238 ( 4158 PWs) bands (ev): -8.6402 -8.6402 -8.6004 -8.6004 -8.4492 -8.4492 -8.4225 -8.4225 -7.8713 -7.8713 -7.8021 -7.8021 -7.6083 -7.6083 -7.5946 -7.5946 -7.5471 -7.5471 -7.5371 -7.5371 -6.0643 -6.0643 -6.0273 -6.0273 -5.3756 -5.3756 0.4088 0.4088 0.4814 0.4814 2.1858 2.1858 2.3727 2.3727 2.6967 2.6967 3.7323 3.7323 5.0641 5.0641 5.5875 5.5875 6.3249 6.3249 6.5676 6.5676 6.6762 6.6762 9.9730 9.9730 10.2263 10.2263 k = 0.5000-0.8959-1.1507 ( 4166 PWs) bands (ev): -8.6413 -8.6413 -8.6003 -8.6003 -8.4493 -8.4493 -8.4215 -8.4215 -7.8732 -7.8732 -7.8019 -7.8019 -7.6081 -7.6081 -7.5941 -7.5941 -7.5472 -7.5472 -7.5373 -7.5373 -6.0489 -6.0489 -6.0164 -6.0164 -5.3843 -5.3843 0.4177 0.4177 0.4852 0.4852 2.1017 2.1017 2.4042 2.4042 2.6853 2.6853 3.6782 3.6782 5.0626 5.0626 5.6184 5.6184 6.3656 6.3656 6.5676 6.5676 6.6398 6.6398 10.0228 10.0228 10.2441 10.2441 k = 0.5000-0.8799-1.1777 ( 4170 PWs) bands (ev): -8.6423 -8.6423 -8.6003 -8.6003 -8.4494 -8.4494 -8.4206 -8.4206 -7.8749 -7.8749 -7.8019 -7.8019 -7.6080 -7.6080 -7.5936 -7.5936 -7.5472 -7.5472 -7.5375 -7.5375 -6.0340 -6.0340 -6.0053 -6.0053 -5.3935 -5.3935 0.4228 0.4228 0.4920 0.4920 2.0226 2.0226 2.4390 2.4390 2.6790 2.6790 3.6158 3.6158 5.0704 5.0704 5.6446 5.6446 6.3332 6.3332 6.5693 6.5693 6.6777 6.6777 10.0535 10.0535 10.2591 10.2591 k = 0.5000-0.8639-1.2046 ( 4176 PWs) bands (ev): -8.6432 -8.6432 -8.6004 -8.6004 -8.4494 -8.4494 -8.4198 -8.4198 -7.8764 -7.8764 -7.8019 -7.8019 -7.6079 -7.6079 -7.5931 -7.5931 -7.5472 -7.5472 -7.5377 -7.5377 -6.0200 -6.0200 -5.9939 -5.9939 -5.4030 -5.4030 0.4250 0.4250 0.5005 0.5005 1.9506 1.9506 2.4757 2.4757 2.6779 2.6779 3.5465 3.5465 5.0864 5.0864 5.6640 5.6640 6.2471 6.2471 6.6214 6.6214 6.7237 6.7237 10.0653 10.0653 10.2703 10.2703 k = 0.5000-0.8480-1.2315 ( 4168 PWs) bands (ev): -8.6440 -8.6440 -8.6005 -8.6005 -8.4495 -8.4495 -8.4191 -8.4191 -7.8776 -7.8776 -7.8019 -7.8019 -7.6078 -7.6078 -7.5927 -7.5927 -7.5471 -7.5471 -7.5379 -7.5379 -6.0073 -6.0073 -5.9821 -5.9821 -5.4127 -5.4127 0.4255 0.4255 0.5090 0.5090 1.8867 1.8867 2.5136 2.5136 2.6821 2.6821 3.4721 3.4721 5.1098 5.1098 5.6721 5.6721 6.1551 6.1551 6.6871 6.6871 6.7707 6.7707 10.0599 10.0599 10.2762 10.2762 k = 0.5000-0.8320-1.2584 ( 4174 PWs) bands (ev): -8.6447 -8.6447 -8.6006 -8.6006 -8.4495 -8.4495 -8.4185 -8.4185 -7.8787 -7.8787 -7.8020 -7.8020 -7.6078 -7.6078 -7.5923 -7.5923 -7.5470 -7.5470 -7.5380 -7.5380 -5.9963 -5.9963 -5.9702 -5.9702 -5.4222 -5.4222 0.4255 0.4255 0.5160 0.5160 1.8320 1.8320 2.5521 2.5521 2.6918 2.6918 3.3941 3.3941 5.1393 5.1393 5.6607 5.6607 6.0778 6.0778 6.7553 6.7553 6.8173 6.8173 10.0396 10.0396 10.2705 10.2705 k = 0.5000-0.8160-1.2854 ( 4180 PWs) bands (ev): -8.6453 -8.6453 -8.6008 -8.6008 -8.4496 -8.4496 -8.4180 -8.4180 -7.8795 -7.8795 -7.8021 -7.8021 -7.6078 -7.6078 -7.5920 -7.5920 -7.5469 -7.5469 -7.5382 -7.5382 -5.9870 -5.9870 -5.9588 -5.9588 -5.4313 -5.4313 0.4257 0.4257 0.5207 0.5207 1.7871 1.7871 2.5905 2.5905 2.7075 2.7075 3.3138 3.3138 5.1742 5.1742 5.6204 5.6204 6.0281 6.0281 6.8223 6.8223 6.8630 6.8630 10.0075 10.0075 10.2371 10.2371 k = 0.5000-0.8000-1.3123 ( 4172 PWs) bands (ev): -8.6458 -8.6458 -8.6009 -8.6009 -8.4496 -8.4496 -8.4176 -8.4176 -7.8801 -7.8801 -7.8022 -7.8022 -7.6078 -7.6078 -7.5917 -7.5917 -7.5468 -7.5468 -7.5383 -7.5383 -5.9792 -5.9792 -5.9485 -5.9485 -5.4396 -5.4396 0.4262 0.4262 0.5225 0.5225 1.7527 1.7527 2.6278 2.6278 2.7297 2.7297 3.2326 3.2326 5.2135 5.2135 5.5501 5.5501 6.0090 6.0090 6.8858 6.8858 6.9080 6.9080 9.9669 9.9669 10.1781 10.1781 k = 0.5000-0.7840-1.3392 ( 4178 PWs) bands (ev): -8.6462 -8.6462 -8.6011 -8.6011 -8.4496 -8.4496 -8.4173 -8.4173 -7.8806 -7.8806 -7.8023 -7.8023 -7.6078 -7.6078 -7.5915 -7.5915 -7.5467 -7.5467 -7.5383 -7.5383 -5.9730 -5.9730 -5.9402 -5.9402 -5.4465 -5.4465 0.4272 0.4272 0.5216 0.5216 1.7290 1.7290 2.6632 2.6632 2.7587 2.7587 3.1518 3.1518 5.2561 5.2561 5.4596 5.4596 6.0121 6.0121 6.9392 6.9392 6.9574 6.9574 9.9209 9.9209 10.1106 10.1106 k = 0.5000-0.7681-1.3661 ( 4182 PWs) bands (ev): -8.6464 -8.6464 -8.6012 -8.6012 -8.4496 -8.4496 -8.4171 -8.4171 -7.8809 -7.8809 -7.8024 -7.8024 -7.6079 -7.6079 -7.5914 -7.5914 -7.5467 -7.5467 -7.5384 -7.5384 -5.9684 -5.9684 -5.9345 -5.9345 -5.4516 -5.4516 0.4283 0.4283 0.5186 0.5186 1.7160 1.7160 2.6961 2.6961 2.7940 2.7940 3.0726 3.0726 5.2953 5.2953 5.3649 5.3649 6.0280 6.0280 6.9793 6.9793 7.0130 7.0130 9.8724 9.8724 10.0417 10.0417 k = 0.5000-0.7521-1.3931 ( 4180 PWs) bands (ev): -8.6465 -8.6465 -8.6013 -8.6013 -8.4496 -8.4496 -8.4170 -8.4170 -7.8810 -7.8810 -7.8024 -7.8024 -7.6079 -7.6079 -7.5913 -7.5913 -7.5466 -7.5466 -7.5384 -7.5384 -5.9654 -5.9654 -5.9320 -5.9320 -5.4543 -5.4543 0.4287 0.4287 0.5151 0.5151 1.7135 1.7135 2.7262 2.7262 2.8342 2.8342 2.9971 2.9971 5.2399 5.2399 5.3631 5.3631 6.0510 6.0510 7.0132 7.0132 7.0666 7.0666 9.8236 9.8236 9.9743 9.9743 k = 0.5000-0.7361-1.4200 ( 4178 PWs) bands (ev): -8.6465 -8.6465 -8.6013 -8.6013 -8.4496 -8.4496 -8.4170 -8.4170 -7.8810 -7.8810 -7.8024 -7.8024 -7.6079 -7.6079 -7.5913 -7.5913 -7.5466 -7.5466 -7.5384 -7.5384 -5.9644 -5.9644 -5.9330 -5.9330 -5.4543 -5.4543 0.4267 0.4267 0.5134 0.5134 1.7207 1.7207 2.7502 2.7502 2.8779 2.8779 2.9303 2.9303 5.1343 5.1343 5.4132 5.4132 6.0780 6.0780 7.0420 7.0420 7.1157 7.1157 9.7768 9.7768 9.9103 9.9103 k = 0.5000-0.7201-1.4469 ( 4184 PWs) bands (ev): -8.6464 -8.6464 -8.6012 -8.6012 -8.4496 -8.4496 -8.4171 -8.4171 -7.8809 -7.8809 -7.8024 -7.8024 -7.6079 -7.6079 -7.5914 -7.5914 -7.5467 -7.5467 -7.5383 -7.5383 -5.9660 -5.9660 -5.9375 -5.9375 -5.4512 -5.4512 0.4212 0.4212 0.5159 0.5159 1.7368 1.7368 2.7539 2.7539 2.8871 2.8871 2.9240 2.9240 5.0273 5.0273 5.4681 5.4681 6.1074 6.1074 7.0654 7.0654 7.1594 7.1594 9.7334 9.7334 9.8511 9.8511 k = 0.8239-0.6537-1.3252 ( 4184 PWs) bands (ev): -8.6464 -8.6464 -8.6012 -8.6012 -8.4496 -8.4496 -8.4171 -8.4171 -7.8809 -7.8809 -7.8024 -7.8024 -7.6079 -7.6079 -7.5914 -7.5914 -7.5467 -7.5467 -7.5383 -7.5383 -5.9660 -5.9660 -5.9375 -5.9375 -5.4512 -5.4512 0.4212 0.4212 0.5159 0.5159 1.7368 1.7368 2.7539 2.7539 2.8871 2.8871 2.9240 2.9240 5.0273 5.0273 5.4681 5.4681 6.1074 6.1074 7.0654 7.0654 7.1594 7.1594 9.7334 9.7334 9.8511 9.8511 k = 0.8175-0.6389-1.2980 ( 4178 PWs) bands (ev): -8.6461 -8.6461 -8.6011 -8.6011 -8.4496 -8.4496 -8.4173 -8.4173 -7.8807 -7.8807 -7.8023 -7.8023 -7.6079 -7.6079 -7.5915 -7.5915 -7.5467 -7.5467 -7.5383 -7.5383 -5.9713 -5.9713 -5.9446 -5.9446 -5.4449 -5.4449 0.4119 0.4119 0.5238 0.5238 1.7612 1.7612 2.7181 2.7181 2.8885 2.8885 2.9712 2.9712 4.9213 4.9213 5.5262 5.5262 6.1383 6.1383 7.0831 7.0831 7.1972 7.1972 9.6944 9.6944 9.7977 9.7977 k = 0.8112-0.6240-1.2708 ( 4178 PWs) bands (ev): -8.6456 -8.6456 -8.6008 -8.6008 -8.4496 -8.4496 -8.4175 -8.4175 -7.8804 -7.8804 -7.8021 -7.8021 -7.6079 -7.6079 -7.5916 -7.5916 -7.5469 -7.5469 -7.5383 -7.5383 -5.9821 -5.9821 -5.9527 -5.9527 -5.4355 -5.4355 0.4001 0.4001 0.5369 0.5369 1.7927 1.7927 2.6608 2.6608 2.9167 2.9167 3.0186 3.0186 4.8188 4.8188 5.5866 5.5866 6.1701 6.1701 7.0946 7.0946 7.2279 7.2279 9.6611 9.6611 9.7520 9.7520 k = 0.8048-0.6092-1.2436 ( 4178 PWs) bands (ev): -8.6451 -8.6451 -8.6004 -8.6004 -8.4496 -8.4496 -8.4179 -8.4179 -7.8800 -7.8800 -7.8019 -7.8019 -7.6078 -7.6078 -7.5918 -7.5918 -7.5470 -7.5470 -7.5383 -7.5383 -5.9992 -5.9992 -5.9607 -5.9607 -5.4233 -5.4233 0.3876 0.3876 0.5543 0.5543 1.8304 1.8304 2.5999 2.5999 2.9544 2.9544 3.0652 3.0652 4.7213 4.7213 5.6488 5.6488 6.2021 6.2021 7.0995 7.0995 7.2510 7.2510 9.6343 9.6343 9.7150 9.7150 k = 0.7985-0.5944-1.2165 ( 4184 PWs) bands (ev): -8.6444 -8.6444 -8.5999 -8.5999 -8.4496 -8.4496 -8.4183 -8.4183 -7.8796 -7.8796 -7.8015 -7.8015 -7.6078 -7.6078 -7.5921 -7.5921 -7.5472 -7.5472 -7.5384 -7.5384 -6.0217 -6.0217 -5.9692 -5.9692 -5.4087 -5.4087 0.3757 0.3757 0.5754 0.5754 1.8733 1.8733 2.5407 2.5407 2.9964 2.9964 3.1102 3.1102 4.6300 4.6300 5.7126 5.7126 6.2341 6.2341 7.0978 7.0978 7.2659 7.2659 9.6144 9.6144 9.6876 9.6876 k = 0.7921-0.5796-1.1893 ( 4182 PWs) bands (ev): -8.6435 -8.6435 -8.5992 -8.5992 -8.4496 -8.4496 -8.4188 -8.4188 -7.8791 -7.8791 -7.8011 -7.8011 -7.6077 -7.6077 -7.5924 -7.5924 -7.5474 -7.5474 -7.5385 -7.5385 -6.0485 -6.0485 -5.9789 -5.9789 -5.3921 -5.3921 0.3656 0.3656 0.5999 0.5999 1.9207 1.9207 2.4851 2.4851 3.0409 3.0409 3.1525 3.1525 4.5464 4.5464 5.7777 5.7777 6.2659 6.2659 7.0896 7.0896 7.2724 7.2724 9.6018 9.6018 9.6702 9.6702 k = 0.7858-0.5647-1.1621 ( 4194 PWs) bands (ev): -8.6425 -8.6425 -8.5983 -8.5983 -8.4496 -8.4496 -8.4194 -8.4194 -7.8786 -7.8786 -7.8006 -7.8006 -7.6076 -7.6076 -7.5928 -7.5928 -7.5477 -7.5477 -7.5387 -7.5387 -6.0789 -6.0789 -5.9902 -5.9902 -5.3739 -5.3739 0.3580 0.3580 0.6273 0.6273 1.9716 1.9716 2.4341 2.4341 3.0866 3.0866 3.1912 3.1912 4.4722 4.4722 5.8439 5.8439 6.2972 6.2972 7.0753 7.0753 7.2703 7.2703 9.5967 9.5967 9.6627 9.6627 k = 0.7794-0.5499-1.1349 ( 4188 PWs) bands (ev): -8.6414 -8.6414 -8.5972 -8.5972 -8.4496 -8.4496 -8.4200 -8.4200 -7.8782 -7.8782 -7.7999 -7.7999 -7.6075 -7.6075 -7.5932 -7.5932 -7.5480 -7.5480 -7.5389 -7.5389 -6.1123 -6.1123 -6.0034 -6.0034 -5.3546 -5.3546 0.3535 0.3535 0.6573 0.6573 2.0254 2.0254 2.3884 2.3884 3.1319 3.1319 3.2259 3.2259 4.4093 4.4093 5.9107 5.9107 6.3277 6.3277 7.0554 7.0554 7.2598 7.2598 9.5994 9.5994 9.6645 9.6645 k = 0.7731-0.5351-1.1077 ( 4180 PWs) bands (ev): -8.6401 -8.6401 -8.5959 -8.5959 -8.4496 -8.4496 -8.4207 -8.4207 -7.8778 -7.8778 -7.7992 -7.7992 -7.6073 -7.6073 -7.5936 -7.5936 -7.5483 -7.5483 -7.5392 -7.5392 -6.1483 -6.1483 -6.0184 -6.0184 -5.3345 -5.3345 0.3525 0.3525 0.6897 0.6897 2.0812 2.0812 2.3485 2.3485 3.1735 3.1735 3.2579 3.2579 4.3597 4.3597 5.9778 5.9778 6.3574 6.3574 7.0308 7.0308 7.2413 7.2413 9.6099 9.6099 9.6745 9.6745 k = 0.7667-0.5202-1.0806 ( 4180 PWs) bands (ev): -8.6386 -8.6386 -8.5944 -8.5944 -8.4496 -8.4496 -8.4214 -8.4214 -7.8774 -7.8774 -7.7984 -7.7984 -7.6072 -7.6072 -7.5941 -7.5941 -7.5487 -7.5487 -7.5396 -7.5396 -6.1864 -6.1864 -6.0354 -6.0354 -5.3139 -5.3139 0.3554 0.3554 0.7240 0.7240 2.1381 2.1381 2.3152 2.3152 3.2049 3.2049 3.2920 3.2920 4.3251 4.3251 6.0445 6.0445 6.3861 6.3861 7.0026 7.0026 7.2156 7.2156 9.6279 9.6279 9.6917 9.6917 k = 0.7604-0.5054-1.0534 ( 4174 PWs) bands (ev): -8.6371 -8.6371 -8.5927 -8.5927 -8.4496 -8.4496 -8.4222 -8.4222 -7.8770 -7.8770 -7.7974 -7.7974 -7.6070 -7.6070 -7.5946 -7.5946 -7.5492 -7.5492 -7.5400 -7.5400 -6.2264 -6.2264 -6.0544 -6.0544 -5.2931 -5.2931 0.3622 0.3622 0.7601 0.7601 2.1945 2.1945 2.2898 2.2898 3.2202 3.2202 3.3333 3.3333 4.3065 4.3065 6.1098 6.1098 6.4136 6.4136 6.9721 6.9721 7.1835 7.1835 9.6527 9.6527 9.7149 9.7149 k = 0.7540-0.4906-1.0262 ( 4174 PWs) bands (ev): -8.6353 -8.6353 -8.5907 -8.5907 -8.4496 -8.4496 -8.4229 -8.4229 -7.8767 -7.8767 -7.7963 -7.7963 -7.6068 -7.6068 -7.5952 -7.5952 -7.5496 -7.5496 -7.5405 -7.5405 -6.2679 -6.2679 -6.0753 -6.0753 -5.2724 -5.2724 0.3732 0.3732 0.7975 0.7975 2.2416 2.2416 2.2801 2.2801 3.2204 3.2204 3.3812 3.3812 4.3041 4.3041 6.1724 6.1724 6.4398 6.4398 6.9413 6.9413 7.1461 7.1461 9.6833 9.6833 9.7430 9.7430 k = 0.7477-0.4758-0.9990 ( 4168 PWs) bands (ev): -8.6335 -8.6335 -8.5885 -8.5885 -8.4496 -8.4496 -8.4237 -8.4237 -7.8765 -7.8765 -7.7951 -7.7951 -7.6066 -7.6066 -7.5957 -7.5957 -7.5502 -7.5502 -7.5411 -7.5411 -6.3108 -6.3108 -6.0980 -6.0980 -5.2519 -5.2519 0.3882 0.3882 0.8358 0.8358 2.2478 2.2478 2.3174 2.3174 3.2101 3.2101 3.4327 3.4327 4.3169 4.3169 6.2303 6.2303 6.4648 6.4648 6.9126 6.9126 7.1047 7.1047 9.7184 9.7184 9.7748 9.7748 k = 0.7413-0.4609-0.9719 ( 4174 PWs) bands (ev): -8.6315 -8.6315 -8.5860 -8.5860 -8.4496 -8.4496 -8.4246 -8.4246 -7.8763 -7.8763 -7.7938 -7.7938 -7.6065 -7.6065 -7.5963 -7.5963 -7.5508 -7.5508 -7.5417 -7.5417 -6.3547 -6.3547 -6.1225 -6.1225 -5.2318 -5.2318 0.4073 0.4073 0.8748 0.8748 2.2455 2.2455 2.3677 2.3677 3.1941 3.1941 3.4859 3.4859 4.3430 4.3430 6.2803 6.2803 6.4881 6.4881 6.8890 6.8890 7.0608 7.0608 9.7565 9.7565 9.8092 9.8092 k = 0.7350-0.4461-0.9447 ( 4170 PWs) bands (ev): -8.6293 -8.6293 -8.5832 -8.5832 -8.4496 -8.4496 -8.4254 -8.4254 -7.8762 -7.8762 -7.7924 -7.7924 -7.6063 -7.6063 -7.5969 -7.5969 -7.5514 -7.5514 -7.5424 -7.5424 -6.3994 -6.3994 -6.1488 -6.1488 -5.2123 -5.2123 0.4302 0.4302 0.9141 0.9141 2.2497 2.2497 2.4148 2.4148 3.1770 3.1770 3.5398 3.5398 4.3801 4.3801 6.3189 6.3189 6.5094 6.5094 6.8746 6.8746 7.0163 7.0163 9.7959 9.7959 9.8450 9.8450 k = 0.7286-0.4313-0.9175 ( 4168 PWs) bands (ev): -8.6270 -8.6270 -8.5802 -8.5802 -8.4496 -8.4496 -8.4263 -8.4263 -7.8762 -7.8762 -7.7908 -7.7908 -7.6061 -7.6061 -7.5975 -7.5975 -7.5522 -7.5522 -7.5431 -7.5431 -6.4449 -6.4449 -6.1767 -6.1767 -5.1935 -5.1935 0.4569 0.4569 0.9534 0.9534 2.2620 2.2620 2.4549 2.4549 3.1635 3.1635 3.5939 3.5939 4.4261 4.4261 6.3422 6.3422 6.5272 6.5272 6.8719 6.8719 6.9750 6.9750 9.8348 9.8348 9.8813 9.8813 k = 0.7223-0.4164-0.8903 ( 4166 PWs) bands (ev): -8.6246 -8.6246 -8.5769 -8.5769 -8.4496 -8.4496 -8.4271 -8.4271 -7.8763 -7.8763 -7.7891 -7.7891 -7.6060 -7.6060 -7.5981 -7.5981 -7.5530 -7.5530 -7.5439 -7.5439 -6.4909 -6.4909 -6.2061 -6.2061 -5.1756 -5.1756 0.4868 0.4868 0.9925 0.9925 2.2826 2.2826 2.4856 2.4856 3.1577 3.1577 3.6476 3.6476 4.4790 4.4790 6.3486 6.3486 6.5395 6.5395 6.8736 6.8736 6.9495 6.9495 9.8714 9.8714 9.9169 9.9169 k = 0.7159-0.4016-0.8632 ( 4164 PWs) bands (ev): -8.6220 -8.6220 -8.5734 -8.5734 -8.4496 -8.4496 -8.4280 -8.4280 -7.8764 -7.8764 -7.7872 -7.7872 -7.6059 -7.6059 -7.5987 -7.5987 -7.5538 -7.5538 -7.5447 -7.5447 -6.5372 -6.5372 -6.2369 -6.2369 -5.1585 -5.1585 0.5198 0.5198 1.0313 1.0313 2.3117 2.3117 2.5050 2.5050 3.1631 3.1631 3.7007 3.7007 4.5370 4.5370 6.3391 6.3391 6.5446 6.5446 6.8561 6.8561 6.9649 6.9649 9.9043 9.9043 9.9506 9.9506 k = 0.7096-0.3868-0.8360 ( 4162 PWs) bands (ev): -8.6192 -8.6192 -8.5696 -8.5696 -8.4496 -8.4496 -8.4288 -8.4288 -7.8767 -7.8767 -7.7852 -7.7852 -7.6059 -7.6059 -7.5993 -7.5993 -7.5547 -7.5547 -7.5455 -7.5455 -6.5837 -6.5837 -6.2690 -6.2690 -5.1424 -5.1424 0.5553 0.5553 1.0698 1.0698 2.3492 2.3492 2.5129 2.5129 3.1812 3.1812 3.7527 3.7527 4.5988 4.5988 6.3169 6.3169 6.5414 6.5414 6.8278 6.8278 7.0120 7.0120 9.9322 9.9322 9.9813 9.9813 k = 0.7032-0.3720-0.8088 ( 4168 PWs) bands (ev): -8.6163 -8.6163 -8.5656 -8.5656 -8.4496 -8.4496 -8.4297 -8.4297 -7.8770 -7.8770 -7.7831 -7.7831 -7.6060 -7.6060 -7.5998 -7.5998 -7.5557 -7.5557 -7.5463 -7.5463 -6.6302 -6.6302 -6.3022 -6.3022 -5.1274 -5.1274 0.5929 0.5929 1.1079 1.1079 2.3946 2.3946 2.5111 2.5111 3.2117 3.2117 3.8036 3.8036 4.6630 4.6630 6.2857 6.2857 6.5293 6.5293 6.8035 6.8035 7.0742 7.0742 9.9538 9.9538 10.0080 10.0080 k = 0.6969-0.3571-0.7816 ( 4162 PWs) bands (ev): -8.6132 -8.6132 -8.5614 -8.5614 -8.4496 -8.4496 -8.4305 -8.4305 -7.8774 -7.8774 -7.7808 -7.7808 -7.6062 -7.6062 -7.6002 -7.6002 -7.5568 -7.5568 -7.5472 -7.5472 -6.6767 -6.6767 -6.3364 -6.3364 -5.1135 -5.1135 0.6319 0.6319 1.1458 1.1458 2.4463 2.4463 2.5037 2.5037 3.2525 3.2525 3.8529 3.8529 4.7284 4.7284 6.2486 6.2486 6.5083 6.5083 6.7873 6.7873 7.1450 7.1450 9.9683 9.9683 10.0304 10.0304 k = 0.6905-0.3423-0.7544 ( 4154 PWs) bands (ev): -8.6100 -8.6100 -8.5569 -8.5569 -8.4497 -8.4497 -8.4314 -8.4314 -7.8779 -7.8779 -7.7783 -7.7783 -7.6065 -7.6065 -7.6005 -7.6005 -7.5579 -7.5579 -7.5481 -7.5481 -6.7229 -6.7229 -6.3715 -6.3715 -5.1007 -5.1007 0.6715 0.6715 1.1838 1.1838 2.4786 2.4786 2.5193 2.5193 3.3012 3.3012 3.9005 3.9005 4.7941 4.7941 6.2081 6.2081 6.4801 6.4801 6.7792 6.7792 7.2213 7.2213 9.9750 9.9750 10.0482 10.0482 k = 0.6842-0.3275-0.7273 ( 4158 PWs) bands (ev): -8.6066 -8.6066 -8.5523 -8.5523 -8.4497 -8.4497 -8.4322 -8.4322 -7.8785 -7.8785 -7.7757 -7.7757 -7.6069 -7.6069 -7.6007 -7.6007 -7.5590 -7.5590 -7.5490 -7.5490 -6.7688 -6.7688 -6.4073 -6.4073 -5.0890 -5.0890 0.7111 0.7111 1.2220 1.2220 2.4689 2.4689 2.5833 2.5833 3.3555 3.3555 3.9463 3.9463 4.8588 4.8588 6.1659 6.1659 6.4477 6.4477 6.7776 6.7776 7.3012 7.3012 9.9736 9.9736 10.0615 10.0615 k = 0.6778-0.3126-0.7001 ( 4154 PWs) bands (ev): -8.6030 -8.6030 -8.5475 -8.5475 -8.4497 -8.4497 -8.4330 -8.4330 -7.8791 -7.8791 -7.7729 -7.7729 -7.6075 -7.6075 -7.6008 -7.6008 -7.5602 -7.5602 -7.5499 -7.5499 -6.8143 -6.8143 -6.4437 -6.4437 -5.0785 -5.0785 0.7498 0.7498 1.2607 1.2607 2.4571 2.4571 2.6577 2.6577 3.4134 3.4134 3.9899 3.9899 4.9215 4.9215 6.1232 6.1232 6.4139 6.4139 6.7804 6.7804 7.3833 7.3833 9.9642 9.9642 10.0704 10.0704 k = 0.6715-0.2978-0.6729 ( 4160 PWs) bands (ev): -8.5993 -8.5993 -8.5425 -8.5425 -8.4497 -8.4497 -8.4338 -8.4338 -7.8798 -7.8798 -7.7699 -7.7699 -7.6081 -7.6081 -7.6008 -7.6008 -7.5614 -7.5614 -7.5509 -7.5509 -6.8592 -6.8592 -6.4806 -6.4806 -5.0691 -5.0691 0.7866 0.7866 1.3001 1.3001 2.4489 2.4489 2.7388 2.7388 3.4735 3.4735 4.0314 4.0314 4.9808 4.9808 6.0810 6.0810 6.3813 6.3813 6.7865 6.7865 7.4664 7.4664 9.9469 9.9469 10.0750 10.0750 k = 0.6651-0.2830-0.6457 ( 4154 PWs) bands (ev): -8.5954 -8.5954 -8.5375 -8.5375 -8.4497 -8.4497 -8.4346 -8.4346 -7.8805 -7.8805 -7.7667 -7.7667 -7.6089 -7.6089 -7.6007 -7.6007 -7.5626 -7.5626 -7.5518 -7.5518 -6.9035 -6.9035 -6.5177 -6.5177 -5.0609 -5.0609 0.8206 0.8206 1.3404 1.3404 2.4465 2.4465 2.8255 2.8255 3.5345 3.5345 4.0706 4.0706 5.0355 5.0355 6.0397 6.0397 6.3519 6.3519 6.7950 6.7950 7.5497 7.5497 9.9218 9.9218 10.0759 10.0759 k = 0.6588-0.2682-0.6186 ( 4144 PWs) bands (ev): -8.5913 -8.5913 -8.5323 -8.5323 -8.4496 -8.4496 -8.4353 -8.4353 -7.8812 -7.8812 -7.7633 -7.7633 -7.6097 -7.6097 -7.6007 -7.6007 -7.5638 -7.5638 -7.5528 -7.5528 -6.9470 -6.9470 -6.5551 -6.5551 -5.0537 -5.0537 0.8510 0.8510 1.3817 1.3817 2.4515 2.4515 2.9173 2.9173 3.5958 3.5958 4.1074 4.1074 5.0842 5.0842 5.9999 5.9999 6.3271 6.3271 6.8055 6.8055 7.6323 7.6323 9.8893 9.8893 10.0734 10.0734 k = 0.6524-0.2533-0.5914 ( 4140 PWs) bands (ev): -8.5871 -8.5871 -8.5271 -8.5271 -8.4496 -8.4496 -8.4361 -8.4361 -7.8820 -7.8820 -7.7597 -7.7597 -7.6105 -7.6105 -7.6006 -7.6006 -7.5650 -7.5650 -7.5538 -7.5538 -6.9896 -6.9896 -6.5926 -6.5926 -5.0476 -5.0476 0.8770 0.8770 1.4240 1.4240 2.4651 2.4651 3.0134 3.0134 3.6565 3.6565 4.1419 4.1419 5.1257 5.1257 5.9618 5.9618 6.3084 6.3084 6.8179 6.8179 7.7131 7.7131 9.8496 9.8496 10.0686 10.0686 k = 0.6461-0.2385-0.5642 ( 4136 PWs) bands (ev): -8.5827 -8.5827 -8.5219 -8.5219 -8.4495 -8.4495 -8.4368 -8.4368 -7.8828 -7.8828 -7.7559 -7.7559 -7.6114 -7.6114 -7.6004 -7.6004 -7.5663 -7.5663 -7.5548 -7.5548 -7.0314 -7.0314 -6.6300 -6.6300 -5.0425 -5.0425 0.8980 0.8980 1.4676 1.4676 2.4881 2.4881 3.1134 3.1134 3.7160 3.7160 4.1741 4.1741 5.1589 5.1589 5.9257 5.9257 6.2964 6.2964 6.8323 6.8323 7.7909 7.7909 9.8034 9.8034 10.0624 10.0624 k = 0.6397-0.2237-0.5370 ( 4144 PWs) bands (ev): -8.5781 -8.5781 -8.5167 -8.5167 -8.4495 -8.4495 -8.4375 -8.4375 -7.8835 -7.8835 -7.7519 -7.7519 -7.6124 -7.6124 -7.6003 -7.6003 -7.5675 -7.5675 -7.5558 -7.5558 -7.0721 -7.0721 -6.6672 -6.6672 -5.0383 -5.0383 0.9137 0.9137 1.5123 1.5123 2.5210 2.5210 3.2166 3.2166 3.7741 3.7741 4.2040 4.2040 5.1831 5.1831 5.8916 5.8916 6.2916 6.2916 6.8489 6.8489 7.8645 7.8645 9.7511 9.7511 10.0563 10.0563 k = 0.6334-0.2088-0.5098 ( 4148 PWs) bands (ev): -8.5734 -8.5734 -8.5116 -8.5116 -8.4494 -8.4494 -8.4382 -8.4382 -7.8842 -7.8842 -7.7476 -7.7476 -7.6133 -7.6133 -7.6001 -7.6001 -7.5687 -7.5687 -7.5569 -7.5569 -7.1118 -7.1118 -6.7041 -6.7041 -5.0350 -5.0350 0.9242 0.9242 1.5581 1.5581 2.5638 2.5638 3.3224 3.3224 3.8301 3.8301 4.2317 4.2317 5.1982 5.1982 5.8597 5.8597 6.2935 6.2935 6.8678 6.8678 7.9324 7.9324 9.6936 9.6936 10.0516 10.0516 k = 0.6270-0.1940-0.4827 ( 4152 PWs) bands (ev): -8.5685 -8.5685 -8.5065 -8.5065 -8.4493 -8.4493 -8.4388 -8.4388 -7.8848 -7.8848 -7.7431 -7.7431 -7.6143 -7.6143 -7.6000 -7.6000 -7.5699 -7.5699 -7.5579 -7.5579 -7.1502 -7.1502 -6.7406 -6.7406 -5.0325 -5.0325 0.9295 0.9295 1.6049 1.6049 2.6162 2.6162 3.4302 3.4302 3.8840 3.8840 4.2576 4.2576 5.2046 5.2046 5.8300 5.8300 6.3010 6.3010 6.8892 6.8892 7.9930 7.9930 9.6320 9.6320 10.0502 10.0502 k = 0.6207-0.1792-0.4555 ( 4158 PWs) bands (ev): -8.5635 -8.5635 -8.5016 -8.5016 -8.4491 -8.4491 -8.4394 -8.4394 -7.8853 -7.8853 -7.7384 -7.7384 -7.6154 -7.6154 -7.5998 -7.5998 -7.5711 -7.5711 -7.5590 -7.5590 -7.1874 -7.1874 -6.7766 -6.7766 -5.0308 -5.0308 0.9303 0.9303 1.6527 1.6527 2.6776 2.6776 3.5393 3.5393 3.9353 3.9353 4.2817 4.2817 5.2033 5.2033 5.8029 5.8029 6.3129 6.3129 6.9130 6.9130 8.0445 8.0445 9.5676 9.5676 10.0538 10.0538 k = 0.6143-0.1644-0.4283 ( 4166 PWs) bands (ev): -8.5584 -8.5584 -8.4969 -8.4969 -8.4490 -8.4490 -8.4400 -8.4400 -7.8856 -7.8856 -7.7334 -7.7334 -7.6165 -7.6165 -7.5996 -7.5996 -7.5723 -7.5723 -7.5601 -7.5601 -7.2233 -7.2233 -6.8119 -6.8119 -5.0297 -5.0297 0.9270 0.9270 1.7011 1.7011 2.7473 2.7473 3.6488 3.6488 3.9838 3.9838 4.3046 4.3046 5.1954 5.1954 5.7786 5.7786 6.3272 6.3272 6.9388 6.9388 8.0853 8.0853 9.5019 9.5019 10.0639 10.0639 k = 0.6080-0.1495-0.4011 ( 4158 PWs) bands (ev): -8.5531 -8.5531 -8.4924 -8.4924 -8.4489 -8.4489 -8.4405 -8.4405 -7.8858 -7.8858 -7.7282 -7.7282 -7.6176 -7.6176 -7.5994 -7.5994 -7.5735 -7.5735 -7.5612 -7.5612 -7.2577 -7.2577 -6.8465 -6.8465 -5.0292 -5.0292 0.9203 0.9203 1.7501 1.7501 2.8244 2.8244 3.7577 3.7577 4.0294 4.0294 4.3264 4.3264 5.1822 5.1822 5.7576 5.7576 6.3426 6.3426 6.9657 6.9657 8.1137 8.1137 9.4365 9.4365 10.0818 10.0818 k = 0.6016-0.1347-0.3740 ( 4154 PWs) bands (ev): -8.5477 -8.5477 -8.4882 -8.4882 -8.4487 -8.4487 -8.4410 -8.4410 -7.8857 -7.8857 -7.7229 -7.7229 -7.6188 -7.6188 -7.5992 -7.5992 -7.5746 -7.5746 -7.5624 -7.5624 -7.2907 -7.2907 -6.8803 -6.8803 -5.0292 -5.0292 0.9110 0.9110 1.7993 1.7993 2.9081 2.9081 3.8648 3.8648 4.0721 4.0721 4.3478 4.3478 5.1649 5.1649 5.7405 5.7405 6.3576 6.3576 6.9927 6.9927 8.1285 8.1285 9.3735 9.3735 10.1080 10.1080 k = 0.5953-0.1199-0.3468 ( 4152 PWs) bands (ev): -8.5422 -8.5422 -8.4843 -8.4843 -8.4486 -8.4486 -8.4413 -8.4413 -7.8855 -7.8855 -7.7173 -7.7173 -7.6201 -7.6201 -7.5990 -7.5990 -7.5758 -7.5758 -7.5635 -7.5635 -7.3220 -7.3220 -6.9131 -6.9131 -5.0297 -5.0297 0.8996 0.8996 1.8485 1.8485 2.9972 2.9972 3.9679 3.9679 4.1122 4.1122 4.3694 4.3694 5.1444 5.1444 5.7280 5.7280 6.3714 6.3714 7.0180 7.0180 8.1290 8.1290 9.3150 9.3150 10.1423 10.1423 k = 0.5889-0.1050-0.3196 ( 4158 PWs) bands (ev): -8.5366 -8.5366 -8.4807 -8.4807 -8.4486 -8.4486 -8.4417 -8.4417 -7.8849 -7.8849 -7.7116 -7.7116 -7.6215 -7.6215 -7.5988 -7.5988 -7.5770 -7.5770 -7.5647 -7.5647 -7.3516 -7.3516 -6.9448 -6.9448 -5.0306 -5.0306 0.8869 0.8869 1.8972 1.8972 3.0909 3.0909 4.0632 4.0632 4.1519 4.1519 4.3920 4.3920 5.1217 5.1217 5.7212 5.7212 6.3835 6.3835 7.0398 7.0398 8.1151 8.1151 9.2629 9.2629 10.1828 10.1828 k = 0.5826-0.0902-0.2924 ( 4164 PWs) bands (ev): -8.5309 -8.5309 -8.4774 -8.4774 -8.4486 -8.4486 -8.4419 -8.4419 -7.8841 -7.8841 -7.7057 -7.7057 -7.6230 -7.6230 -7.5986 -7.5986 -7.5782 -7.5782 -7.5659 -7.5659 -7.3794 -7.3794 -6.9753 -6.9753 -5.0317 -5.0317 0.8732 0.8732 1.9452 1.9452 3.1882 3.1882 4.1390 4.1390 4.2003 4.2003 4.4167 4.4167 5.0973 5.0973 5.7210 5.7210 6.3937 6.3937 7.0561 7.0561 8.0872 8.0872 9.2195 9.2195 10.2256 10.2256 k = 0.5762-0.0754-0.2653 ( 4168 PWs) bands (ev): -8.5252 -8.5252 -8.4745 -8.4745 -8.4488 -8.4488 -8.4421 -8.4421 -7.8829 -7.8829 -7.6999 -7.6999 -7.6247 -7.6247 -7.5984 -7.5984 -7.5794 -7.5794 -7.5672 -7.5672 -7.4052 -7.4052 -7.0046 -7.0046 -5.0331 -5.0331 0.8591 0.8591 1.9920 1.9920 3.2881 3.2881 4.1831 4.1831 4.2666 4.2666 4.4452 4.4452 5.0718 5.0718 5.7286 5.7286 6.4020 6.4020 7.0653 7.0653 8.0461 8.0461 9.1862 9.1862 10.2643 10.2643 k = 0.5699-0.0606-0.2381 ( 4166 PWs) bands (ev): -8.5195 -8.5195 -8.4720 -8.4720 -8.4490 -8.4490 -8.4423 -8.4423 -7.8815 -7.8815 -7.6942 -7.6942 -7.6264 -7.6264 -7.5981 -7.5981 -7.5807 -7.5807 -7.5684 -7.5684 -7.4289 -7.4289 -7.0324 -7.0324 -5.0346 -5.0346 0.8450 0.8450 2.0373 2.0373 3.3897 3.3897 4.2113 4.2113 4.3315 4.3315 4.4796 4.4796 5.0455 5.0455 5.7454 5.7454 6.4086 6.4086 7.0662 7.0662 7.9930 7.9930 9.1644 9.1644 10.2903 10.2903 k = 0.5635-0.0457-0.2109 ( 4164 PWs) bands (ev): -8.5138 -8.5138 -8.4698 -8.4698 -8.4493 -8.4493 -8.4425 -8.4425 -7.8797 -7.8797 -7.6888 -7.6888 -7.6282 -7.6282 -7.5979 -7.5979 -7.5821 -7.5821 -7.5697 -7.5697 -7.4503 -7.4503 -7.0586 -7.0586 -5.0363 -5.0363 0.8312 0.8312 2.0806 2.0806 3.4920 3.4920 4.2333 4.2333 4.3832 4.3832 4.5203 4.5203 5.0188 5.0188 5.7723 5.7723 6.4138 6.4138 7.0583 7.0583 7.9293 7.9293 9.1545 9.1545 10.2981 10.2981 k = 0.5572-0.0309-0.1837 ( 4176 PWs) bands (ev): -8.5081 -8.5081 -8.4679 -8.4679 -8.4497 -8.4497 -8.4429 -8.4429 -7.8775 -7.8775 -7.6840 -7.6840 -7.6299 -7.6299 -7.5976 -7.5976 -7.5835 -7.5835 -7.5711 -7.5711 -7.4693 -7.4693 -7.0832 -7.0832 -5.0379 -5.0379 0.8180 0.8180 2.1215 2.1215 3.5938 3.5938 4.2518 4.2518 4.4218 4.4218 4.5635 4.5635 4.9919 4.9919 5.8099 5.8099 6.4180 6.4180 7.0419 7.0419 7.8564 7.8564 9.1560 9.1560 10.2897 10.2897 k = 0.5508-0.0161-0.1565 ( 4174 PWs) bands (ev): -8.5025 -8.5025 -8.4662 -8.4662 -8.4501 -8.4501 -8.4435 -8.4435 -7.8751 -7.8751 -7.6802 -7.6802 -7.6313 -7.6313 -7.5973 -7.5973 -7.5850 -7.5850 -7.5725 -7.5725 -7.4857 -7.4857 -7.1059 -7.1059 -5.0396 -5.0396 0.8057 0.8057 2.1595 2.1595 3.6937 3.6937 4.2681 4.2681 4.4516 4.4516 4.6029 4.6029 4.9650 4.9650 5.8577 5.8577 6.4218 6.4218 7.0185 7.0185 7.7758 7.7758 9.1677 9.1677 10.2713 10.2713 k = 0.5445-0.0012-0.1294 ( 4174 PWs) bands (ev): -8.4969 -8.4969 -8.4648 -8.4648 -8.4506 -8.4506 -8.4443 -8.4443 -7.8725 -7.8725 -7.6778 -7.6778 -7.6318 -7.6318 -7.5970 -7.5970 -7.5866 -7.5866 -7.5740 -7.5740 -7.4995 -7.4995 -7.1265 -7.1265 -5.0411 -5.0411 0.7944 0.7944 2.1943 2.1943 3.7904 3.7904 4.2833 4.2833 4.4761 4.4761 4.6340 4.6340 4.9388 4.9388 5.9144 5.9144 6.4260 6.4260 6.9900 6.9900 7.6892 7.6892 9.1875 9.1875 10.2483 10.2483 k = 0.5381 0.0136-0.1022 ( 4172 PWs) bands (ev): -8.4915 -8.4915 -8.4636 -8.4636 -8.4511 -8.4511 -8.4455 -8.4455 -7.8697 -7.8697 -7.6774 -7.6774 -7.6311 -7.6311 -7.5966 -7.5966 -7.5883 -7.5883 -7.5755 -7.5755 -7.5107 -7.5107 -7.1450 -7.1450 -5.0426 -5.0426 0.7843 0.7843 2.2254 2.2254 3.8816 3.8816 4.2988 4.2988 4.4969 4.4969 4.6546 4.6546 4.9138 4.9138 5.9770 5.9770 6.4321 6.4321 6.9589 6.9589 7.5984 7.5984 9.2130 9.2130 10.2242 10.2242 k = 0.5318 0.0284-0.0750 ( 4174 PWs) bands (ev): -8.4863 -8.4863 -8.4626 -8.4626 -8.4516 -8.4516 -8.4470 -8.4470 -7.8669 -7.8669 -7.6787 -7.6787 -7.6292 -7.6292 -7.5963 -7.5963 -7.5899 -7.5899 -7.5770 -7.5770 -7.5196 -7.5196 -7.1611 -7.1611 -5.0439 -5.0439 0.7756 0.7756 2.2525 2.2525 3.9648 3.9648 4.3163 4.3163 4.5148 4.5148 4.6634 4.6634 4.8912 4.8912 6.0409 6.0409 6.4421 6.4421 6.9278 6.9278 7.5056 7.5056 9.2414 9.2414 10.2012 10.2012 k = 0.5254 0.0432-0.0478 ( 4166 PWs) bands (ev): -8.4813 -8.4813 -8.4618 -8.4618 -8.4521 -8.4521 -8.4487 -8.4487 -7.8643 -7.8643 -7.6812 -7.6812 -7.6264 -7.6264 -7.5960 -7.5960 -7.5914 -7.5914 -7.5784 -7.5784 -7.5262 -7.5262 -7.1746 -7.1746 -5.0450 -5.0450 0.7683 0.7683 2.2751 2.2751 4.0365 4.0365 4.3380 4.3380 4.5298 4.5298 4.6604 4.6604 4.8722 4.8722 6.1003 6.1003 6.4586 6.4586 6.8993 6.8993 7.4138 7.4138 9.2697 9.2697 10.1809 10.1809 k = 0.5191 0.0581-0.0207 ( 4168 PWs) bands (ev): -8.4766 -8.4766 -8.4612 -8.4612 -8.4526 -8.4526 -8.4506 -8.4506 -7.8619 -7.8619 -7.6842 -7.6842 -7.6234 -7.6234 -7.5959 -7.5959 -7.5926 -7.5926 -7.5798 -7.5798 -7.5310 -7.5310 -7.1854 -7.1854 -5.0459 -5.0459 0.7626 0.7626 2.2930 2.2930 4.0929 4.0929 4.3659 4.3659 4.5418 4.5418 4.6461 4.6461 4.8578 4.8578 6.1486 6.1486 6.4836 6.4836 6.8758 6.8758 7.3271 7.3271 9.2952 9.2952 10.1641 10.1641 k = 0.5127 0.0729 0.0065 ( 4166 PWs) bands (ev): -8.4723 -8.4723 -8.4610 -8.4610 -8.4537 -8.4537 -8.4521 -8.4521 -7.8600 -7.8600 -7.6869 -7.6869 -7.6206 -7.6206 -7.5961 -7.5961 -7.5932 -7.5932 -7.5810 -7.5810 -7.5343 -7.5343 -7.1932 -7.1932 -5.0465 -5.0465 0.7585 0.7585 2.3060 2.3060 4.1315 4.1315 4.3996 4.3996 4.5506 4.5506 4.6234 4.6234 4.8481 4.8481 6.1818 6.1818 6.5146 6.5146 6.8589 6.8589 7.2520 7.2520 9.3154 9.3154 10.1516 10.1516 k = 0.5064 0.0877 0.0337 ( 4170 PWs) bands (ev): -8.4688 -8.4688 -8.4612 -8.4612 -8.4552 -8.4552 -8.4526 -8.4526 -7.8589 -7.8589 -7.6888 -7.6888 -7.6186 -7.6186 -7.5966 -7.5966 -7.5934 -7.5934 -7.5818 -7.5818 -7.5361 -7.5361 -7.1979 -7.1979 -5.0469 -5.0469 0.7560 0.7560 2.3139 2.3139 4.1531 4.1531 4.4322 4.4322 4.5555 4.5555 4.5991 4.5991 4.8427 4.8427 6.2001 6.2001 6.5420 6.5420 6.8495 6.8495 7.1985 7.1985 9.3284 9.3284 10.1439 10.1439 k = 0.5000 0.1026 0.0609 ( 4172 PWs) bands (ev): -8.4672 -8.4672 -8.4617 -8.4617 -8.4559 -8.4559 -8.4527 -8.4527 -7.8584 -7.8584 -7.6895 -7.6895 -7.6179 -7.6179 -7.5968 -7.5968 -7.5934 -7.5934 -7.5821 -7.5821 -7.5367 -7.5367 -7.1995 -7.1995 -5.0470 -5.0470 0.7551 0.7551 2.3165 2.3165 4.1599 4.1599 4.4475 4.4475 4.5567 4.5567 4.5873 4.5873 4.8410 4.8410 6.2058 6.2058 6.5532 6.5532 6.8466 6.8466 7.1786 7.1786 9.3328 9.3328 10.1413 10.1413 k = 0.5000 0.1026 0.0609 ( 4172 PWs) bands (ev): -8.4672 -8.4672 -8.4617 -8.4617 -8.4559 -8.4559 -8.4527 -8.4527 -7.8584 -7.8584 -7.6895 -7.6895 -7.6179 -7.6179 -7.5968 -7.5968 -7.5934 -7.5934 -7.5821 -7.5821 -7.5367 -7.5367 -7.1995 -7.1995 -5.0470 -5.0470 0.7551 0.7551 2.3165 2.3165 4.1599 4.1599 4.4475 4.4475 4.5567 4.5567 4.5873 4.5873 4.8410 4.8410 6.2058 6.2058 6.5532 6.5532 6.8466 6.8466 7.1786 7.1786 9.3328 9.3328 10.1413 10.1413 k = 0.4706 0.0965 0.0573 ( 4172 PWs) bands (ev): -8.4672 -8.4672 -8.4616 -8.4616 -8.4559 -8.4559 -8.4527 -8.4527 -7.8585 -7.8585 -7.6894 -7.6894 -7.6179 -7.6179 -7.5968 -7.5968 -7.5934 -7.5934 -7.5821 -7.5821 -7.5368 -7.5368 -7.1993 -7.1993 -5.0472 -5.0472 0.7571 0.7571 2.3122 2.3122 4.1628 4.1628 4.4490 4.4490 4.5570 4.5570 4.5873 4.5873 4.8410 4.8410 6.2055 6.2055 6.5532 6.5532 6.8256 6.8256 7.2001 7.2001 9.3276 9.3276 10.1457 10.1457 k = 0.4412 0.0905 0.0537 ( 4163 PWs) bands (ev): -8.4673 -8.4673 -8.4615 -8.4615 -8.4559 -8.4559 -8.4527 -8.4527 -7.8586 -7.8586 -7.6893 -7.6893 -7.6180 -7.6180 -7.5968 -7.5968 -7.5937 -7.5937 -7.5821 -7.5821 -7.5370 -7.5370 -7.1984 -7.1984 -5.0478 -5.0478 0.7630 0.7630 2.2991 2.2991 4.1712 4.1712 4.4534 4.4534 4.5580 4.5580 4.5873 4.5873 4.8410 4.8410 6.2047 6.2047 6.5533 6.5533 6.7739 6.7739 7.2534 7.2534 9.3122 9.3122 10.1585 10.1585 k = 0.4118 0.0845 0.0501 ( 4163 PWs) bands (ev): -8.4674 -8.4674 -8.4614 -8.4614 -8.4559 -8.4559 -8.4527 -8.4527 -7.8589 -7.8589 -7.6891 -7.6891 -7.6181 -7.6181 -7.5968 -7.5968 -7.5941 -7.5941 -7.5821 -7.5821 -7.5374 -7.5374 -7.1971 -7.1971 -5.0488 -5.0488 0.7728 0.7728 2.2780 2.2780 4.1841 4.1841 4.4610 4.4610 4.5600 4.5600 4.5873 4.5873 4.8410 4.8410 6.2031 6.2031 6.5535 6.5535 6.7075 6.7075 7.3225 7.3225 9.2875 9.2875 10.1788 10.1788 k = 0.3824 0.0784 0.0465 ( 4169 PWs) bands (ev): -8.4676 -8.4676 -8.4612 -8.4612 -8.4559 -8.4559 -8.4527 -8.4527 -7.8592 -7.8592 -7.6888 -7.6888 -7.6183 -7.6183 -7.5968 -7.5968 -7.5946 -7.5946 -7.5821 -7.5821 -7.5380 -7.5380 -7.1953 -7.1953 -5.0500 -5.0500 0.7863 0.7863 2.2495 2.2495 4.2002 4.2002 4.4718 4.4718 4.5636 4.5636 4.5872 4.5872 4.8410 4.8410 6.2005 6.2005 6.5537 6.5537 6.6353 6.6353 7.3988 7.3988 9.2550 9.2550 10.2050 10.2050 k = 0.3529 0.0724 0.0430 ( 4175 PWs) bands (ev): -8.4678 -8.4678 -8.4610 -8.4610 -8.4559 -8.4559 -8.4527 -8.4527 -7.8595 -7.8595 -7.6884 -7.6884 -7.6185 -7.6185 -7.5968 -7.5968 -7.5953 -7.5953 -7.5821 -7.5821 -7.5386 -7.5386 -7.1930 -7.1930 -5.0516 -5.0516 0.8034 0.8034 2.2145 2.2145 4.2177 4.2177 4.4853 4.4853 4.5700 4.5700 4.5872 4.5872 4.8410 4.8410 6.1964 6.1964 6.5539 6.5539 6.5617 6.5617 7.4787 7.4787 9.2158 9.2158 10.2357 10.2357 k = 0.3235 0.0664 0.0394 ( 4172 PWs) bands (ev): -8.4679 -8.4679 -8.4607 -8.4607 -8.4559 -8.4559 -8.4527 -8.4527 -7.8600 -7.8600 -7.6880 -7.6880 -7.6187 -7.6187 -7.5968 -7.5968 -7.5961 -7.5961 -7.5821 -7.5821 -7.5393 -7.5393 -7.1905 -7.1905 -5.0534 -5.0534 0.8239 0.8239 2.1743 2.1743 4.2351 4.2351 4.4997 4.4997 4.5817 4.5817 4.5871 4.5871 4.8411 4.8411 6.1897 6.1897 6.4898 6.4898 6.5542 6.5542 7.5602 7.5602 9.1712 9.1712 10.2693 10.2693 k = 0.2941 0.0603 0.0358 ( 4169 PWs) bands (ev): -8.4681 -8.4681 -8.4605 -8.4605 -8.4559 -8.4559 -8.4527 -8.4527 -7.8604 -7.8604 -7.6875 -7.6875 -7.6190 -7.6190 -7.5969 -7.5969 -7.5968 -7.5968 -7.5821 -7.5821 -7.5400 -7.5400 -7.1878 -7.1878 -5.0553 -5.0553 0.8475 0.8475 2.1299 2.1299 4.2508 4.2508 4.5122 4.5122 4.5870 4.5870 4.6017 4.6017 4.8411 4.8411 6.1783 6.1783 6.4226 6.4226 6.5545 6.5545 7.6423 7.6423 9.1222 9.1222 10.3046 10.3046 k = 0.2647 0.0543 0.0322 ( 4169 PWs) bands (ev): -8.4683 -8.4683 -8.4602 -8.4602 -8.4559 -8.4559 -8.4527 -8.4527 -7.8610 -7.8610 -7.6869 -7.6869 -7.6193 -7.6193 -7.5978 -7.5978 -7.5968 -7.5968 -7.5821 -7.5821 -7.5407 -7.5407 -7.1849 -7.1849 -5.0574 -5.0574 0.8737 0.8737 2.0825 2.0825 4.2642 4.2642 4.5208 4.5208 4.5870 4.5870 4.6315 4.6315 4.8411 4.8411 6.1588 6.1588 6.3645 6.3645 6.5548 6.5548 7.7244 7.7244 9.0697 9.0697 10.3404 10.3404 k = 0.2353 0.0483 0.0286 ( 4169 PWs) bands (ev): -8.4685 -8.4685 -8.4600 -8.4600 -8.4559 -8.4559 -8.4527 -8.4527 -7.8615 -7.8615 -7.6864 -7.6864 -7.6197 -7.6197 -7.5987 -7.5987 -7.5968 -7.5968 -7.5821 -7.5821 -7.5414 -7.5414 -7.1820 -7.1820 -5.0595 -5.0595 0.9022 0.9022 2.0334 2.0334 4.2752 4.2752 4.5262 4.5262 4.5869 4.5869 4.6696 4.6696 4.8412 4.8412 6.1269 6.1269 6.3205 6.3205 6.5551 6.5551 7.8060 7.8060 9.0144 9.0144 10.3756 10.3756 k = 0.2059 0.0422 0.0251 ( 4175 PWs) bands (ev): -8.4687 -8.4687 -8.4597 -8.4597 -8.4559 -8.4559 -8.4527 -8.4527 -7.8620 -7.8620 -7.6858 -7.6858 -7.6201 -7.6201 -7.5995 -7.5995 -7.5968 -7.5968 -7.5821 -7.5821 -7.5421 -7.5421 -7.1791 -7.1791 -5.0616 -5.0616 0.9323 0.9323 1.9837 1.9837 4.2839 4.2839 4.5294 4.5294 4.5868 4.5868 4.7132 4.7132 4.8412 4.8412 6.0818 6.0818 6.2923 6.2923 6.5554 6.5554 7.8867 7.8867 8.9568 8.9568 10.4092 10.4092 k = 0.1765 0.0362 0.0215 ( 4193 PWs) bands (ev): -8.4688 -8.4688 -8.4595 -8.4595 -8.4559 -8.4559 -8.4527 -8.4527 -7.8624 -7.8624 -7.6853 -7.6853 -7.6206 -7.6206 -7.6003 -7.6003 -7.5968 -7.5968 -7.5821 -7.5821 -7.5426 -7.5426 -7.1765 -7.1765 -5.0636 -5.0636 0.9632 0.9632 1.9348 1.9348 4.2905 4.2905 4.5314 4.5314 4.5867 4.5867 4.7597 4.7597 4.8412 4.8412 6.0284 6.0284 6.2758 6.2758 6.5557 6.5557 7.9659 7.9659 8.8975 8.8975 10.4405 10.4405 k = 0.1471 0.0302 0.0179 ( 4193 PWs) bands (ev): -8.4690 -8.4690 -8.4593 -8.4593 -8.4559 -8.4559 -8.4527 -8.4527 -7.8629 -7.8629 -7.6848 -7.6848 -7.6210 -7.6210 -7.6010 -7.6010 -7.5968 -7.5968 -7.5821 -7.5821 -7.5432 -7.5432 -7.1741 -7.1741 -5.0654 -5.0654 0.9938 0.9938 1.8883 1.8883 4.2956 4.2956 4.5327 4.5327 4.5867 4.5867 4.8066 4.8066 4.8412 4.8412 5.9729 5.9729 6.2663 6.2663 6.5560 6.5560 8.0432 8.0432 8.8371 8.8371 10.4687 10.4687 k = 0.1176 0.0241 0.0143 ( 4165 PWs) bands (ev): -8.4691 -8.4691 -8.4592 -8.4592 -8.4559 -8.4559 -8.4527 -8.4527 -7.8633 -7.8633 -7.6843 -7.6843 -7.6214 -7.6214 -7.6016 -7.6016 -7.5968 -7.5968 -7.5821 -7.5821 -7.5436 -7.5436 -7.1720 -7.1720 -5.0670 -5.0670 1.0229 1.0229 1.8457 1.8457 4.2995 4.2995 4.5335 4.5335 4.5866 4.5866 4.8413 4.8413 4.8513 4.8513 5.9200 5.9200 6.2607 6.2607 6.5562 6.5562 8.1176 8.1176 8.7765 8.7765 10.4929 10.4929 k = 0.0882 0.0181 0.0107 ( 4171 PWs) bands (ev): -8.4692 -8.4692 -8.4590 -8.4590 -8.4559 -8.4559 -8.4527 -8.4527 -7.8636 -7.8636 -7.6840 -7.6840 -7.6218 -7.6218 -7.6021 -7.6021 -7.5968 -7.5968 -7.5821 -7.5821 -7.5439 -7.5439 -7.1703 -7.1703 -5.0682 -5.0682 1.0487 1.0487 1.8091 1.8091 4.3022 4.3022 4.5341 4.5341 4.5866 4.5866 4.8413 4.8413 4.8911 4.8911 5.8735 5.8735 6.2573 6.2573 6.5564 6.5564 8.1876 8.1876 8.7172 8.7172 10.5127 10.5127 k = 0.0588 0.0121 0.0072 ( 4177 PWs) bands (ev): -8.4692 -8.4692 -8.4589 -8.4589 -8.4559 -8.4559 -8.4527 -8.4527 -7.8638 -7.8638 -7.6837 -7.6837 -7.6220 -7.6220 -7.6024 -7.6024 -7.5968 -7.5968 -7.5821 -7.5821 -7.5442 -7.5442 -7.1690 -7.1690 -5.0692 -5.0692 1.0694 1.0694 1.7806 1.7806 4.3041 4.3041 4.5344 4.5344 4.5865 4.5865 4.8413 4.8413 4.9229 4.9229 5.8369 5.8369 6.2552 6.2552 6.5565 6.5565 8.2500 8.2500 8.6626 8.6626 10.5273 10.5273 k = 0.0294 0.0060 0.0036 ( 4183 PWs) bands (ev): -8.4693 -8.4693 -8.4589 -8.4589 -8.4559 -8.4559 -8.4527 -8.4527 -7.8639 -7.8639 -7.6835 -7.6835 -7.6222 -7.6222 -7.6026 -7.6026 -7.5968 -7.5968 -7.5821 -7.5821 -7.5443 -7.5443 -7.1683 -7.1683 -5.0698 -5.0698 1.0829 1.0829 1.7623 1.7623 4.3051 4.3051 4.5346 4.5346 4.5865 4.5865 4.8413 4.8413 4.9436 4.9436 5.8132 5.8132 6.2542 6.2542 6.5566 6.5566 8.2974 8.2974 8.6198 8.6198 10.5363 10.5363 k = 0.0000 0.0000 0.0000 ( 4195 PWs) bands (ev): -8.4693 -8.4693 -8.4589 -8.4589 -8.4559 -8.4559 -8.4527 -8.4527 -7.8640 -7.8640 -7.6835 -7.6835 -7.6223 -7.6223 -7.6027 -7.6027 -7.5968 -7.5968 -7.5821 -7.5821 -7.5444 -7.5444 -7.1680 -7.1680 -5.0699 -5.0699 1.0876 1.0876 1.7560 1.7560 4.3055 4.3055 4.5347 4.5347 4.5865 4.5865 4.8413 4.8413 4.9508 4.9508 5.8050 5.8050 6.2538 6.2538 6.5567 6.5567 8.3164 8.3164 8.6023 8.6023 10.5394 10.5394 k = 0.0000 0.0000 0.0000 ( 4195 PWs) bands (ev): -8.4693 -8.4693 -8.4589 -8.4589 -8.4559 -8.4559 -8.4527 -8.4527 -7.8640 -7.8640 -7.6835 -7.6835 -7.6223 -7.6223 -7.6027 -7.6027 -7.5968 -7.5968 -7.5821 -7.5821 -7.5444 -7.5444 -7.1680 -7.1680 -5.0699 -5.0699 1.0876 1.0876 1.7560 1.7560 4.3055 4.3055 4.5347 4.5347 4.5865 4.5865 4.8413 4.8413 4.9508 4.9508 5.8050 5.8050 6.2538 6.2538 6.5567 6.5567 8.3164 8.3164 8.6023 8.6023 10.5394 10.5394 k = 0.0064-0.0149-0.0273 ( 4189 PWs) bands (ev): -8.4704 -8.4704 -8.4592 -8.4592 -8.4550 -8.4550 -8.4526 -8.4526 -7.8643 -7.8643 -7.6829 -7.6829 -7.6231 -7.6231 -7.6027 -7.6027 -7.5963 -7.5963 -7.5819 -7.5819 -7.5438 -7.5438 -7.1664 -7.1664 -5.0698 -5.0698 1.0873 1.0873 1.7566 1.7566 4.3022 4.3022 4.5099 4.5099 4.5901 4.5901 4.7975 4.7975 5.0101 5.0101 5.7975 5.7975 6.2575 6.2575 6.5569 6.5569 8.3254 8.3254 8.5971 8.5971 10.5379 10.5379 k = 0.0128-0.0298-0.0546 ( 4185 PWs) bands (ev): -8.4732 -8.4732 -8.4598 -8.4598 -8.4534 -8.4534 -8.4520 -8.4520 -7.8652 -7.8652 -7.6814 -7.6814 -7.6252 -7.6252 -7.6026 -7.6026 -7.5949 -7.5949 -7.5813 -7.5813 -7.5422 -7.5422 -7.1618 -7.1618 -5.0693 -5.0693 1.0862 1.0862 1.7584 1.7584 4.2915 4.2915 4.4489 4.4489 4.5878 4.5878 4.7458 4.7458 5.1085 5.1085 5.7757 5.7757 6.2683 6.2683 6.5582 6.5582 8.3512 8.3512 8.5820 8.5820 10.5341 10.5341 k = 0.0191-0.0447-0.0819 ( 4177 PWs) bands (ev): -8.4769 -8.4769 -8.4604 -8.4604 -8.4525 -8.4525 -8.4505 -8.4505 -7.8667 -7.8667 -7.6793 -7.6793 -7.6279 -7.6279 -7.6024 -7.6024 -7.5932 -7.5932 -7.5804 -7.5804 -7.5392 -7.5392 -7.1542 -7.1542 -5.0686 -5.0686 1.0845 1.0845 1.7612 1.7612 4.2679 4.2679 4.3693 4.3693 4.5740 4.5740 4.7137 4.7137 5.2115 5.2115 5.7417 5.7417 6.2852 6.2852 6.5613 6.5613 8.3903 8.3903 8.5597 8.5597 10.5295 10.5295 k = 0.0255-0.0596-0.1092 ( 4167 PWs) bands (ev): -8.4813 -8.4813 -8.4612 -8.4612 -8.4520 -8.4520 -8.4487 -8.4487 -7.8685 -7.8685 -7.6772 -7.6772 -7.6307 -7.6307 -7.6022 -7.6022 -7.5913 -7.5913 -7.5791 -7.5791 -7.5348 -7.5348 -7.1437 -7.1437 -5.0675 -5.0675 1.0820 1.0820 1.7651 1.7651 4.2084 4.2084 4.3047 4.3047 4.5524 4.5524 4.6929 4.6929 5.3110 5.3110 5.6995 5.6995 6.3070 6.3070 6.5677 6.5677 8.4297 8.4297 8.5418 8.5418 10.5255 10.5255 k = 0.0319-0.0745-0.1365 ( 4171 PWs) bands (ev): -8.4861 -8.4861 -8.4622 -8.4622 -8.4516 -8.4516 -8.4470 -8.4470 -7.8706 -7.8706 -7.6759 -7.6759 -7.6328 -7.6328 -7.6020 -7.6020 -7.5896 -7.5896 -7.5776 -7.5776 -7.5285 -7.5285 -7.1305 -7.1305 -5.0663 -5.0663 1.0787 1.0787 1.7700 1.7700 4.1074 4.1074 4.2691 4.2691 4.5269 4.5269 4.6734 4.6734 5.3980 5.3980 5.6576 5.6576 6.3323 6.3323 6.5786 6.5786 8.4305 8.4305 8.5656 8.5656 10.5231 10.5231 k = 0.0383-0.0894-0.1638 ( 4167 PWs) bands (ev): -8.4911 -8.4911 -8.4633 -8.4633 -8.4511 -8.4511 -8.4457 -8.4457 -7.8728 -7.8728 -7.6761 -7.6761 -7.6336 -7.6336 -7.6017 -7.6017 -7.5879 -7.5879 -7.5760 -7.5760 -7.5200 -7.5200 -7.1146 -7.1146 -5.0647 -5.0647 1.0747 1.0747 1.7755 1.7755 3.9922 3.9922 4.2403 4.2403 4.4995 4.4995 4.6497 4.6497 5.4502 5.4502 5.6396 5.6396 6.3599 6.3599 6.5952 6.5952 8.3910 8.3910 8.6318 8.6318 10.5229 10.5229 k = 0.0447-0.1043-0.1911 ( 4179 PWs) bands (ev): -8.4964 -8.4964 -8.4645 -8.4645 -8.4507 -8.4507 -8.4446 -8.4446 -7.8750 -7.8750 -7.6782 -7.6782 -7.6332 -7.6332 -7.6014 -7.6014 -7.5864 -7.5864 -7.5744 -7.5744 -7.5090 -7.5090 -7.0964 -7.0964 -5.0630 -5.0630 1.0698 1.0698 1.7816 1.7816 3.8730 3.8730 4.2112 4.2112 4.4707 4.4707 4.6187 4.6187 5.4395 5.4395 5.6747 5.6747 6.3890 6.3890 6.6181 6.6181 8.3376 8.3376 8.7129 8.7129 10.5248 10.5248 k = 0.0510-0.1192-0.2184 ( 4181 PWs) bands (ev): -8.5019 -8.5019 -8.4660 -8.4660 -8.4502 -8.4502 -8.4438 -8.4438 -7.8771 -7.8771 -7.6817 -7.6817 -7.6317 -7.6317 -7.6012 -7.6012 -7.5849 -7.5849 -7.5729 -7.5729 -7.4954 -7.4954 -7.0760 -7.0760 -5.0612 -5.0612 1.0641 1.0641 1.7880 1.7880 3.7530 3.7530 4.1812 4.1812 4.4403 4.4403 4.5788 4.5788 5.3927 5.3927 5.7373 5.7373 6.4192 6.4192 6.6473 6.6473 8.2786 8.2786 8.8001 8.8001 10.5284 10.5284 k = 0.0574-0.1341-0.2457 ( 4169 PWs) bands (ev): -8.5074 -8.5074 -8.4678 -8.4678 -8.4499 -8.4499 -8.4433 -8.4433 -7.8791 -7.8791 -7.6864 -7.6864 -7.6298 -7.6298 -7.6010 -7.6010 -7.5835 -7.5835 -7.5714 -7.5714 -7.4791 -7.4791 -7.0535 -7.0535 -5.0592 -5.0592 1.0574 1.0574 1.7942 1.7942 3.6340 3.6340 4.1503 4.1503 4.4076 4.4076 4.5294 4.5294 5.3377 5.3377 5.8004 5.8004 6.4505 6.4505 6.6822 6.6822 8.2176 8.2176 8.8895 8.8895 10.5331 10.5331 k = 0.0638-0.1490-0.2730 ( 4171 PWs) bands (ev): -8.5131 -8.5131 -8.4698 -8.4698 -8.4495 -8.4495 -8.4429 -8.4429 -7.8807 -7.8807 -7.6917 -7.6917 -7.6279 -7.6279 -7.6008 -7.6008 -7.5821 -7.5821 -7.5700 -7.5700 -7.4603 -7.4603 -7.0291 -7.0291 -5.0572 -5.0572 1.0498 1.0498 1.7999 1.7999 3.5173 3.5173 4.1193 4.1193 4.3708 4.3708 4.4716 4.4716 5.2835 5.2835 5.8552 5.8552 6.4834 6.4834 6.7217 6.7217 8.1572 8.1572 8.9787 8.9787 10.5377 10.5377 k = 0.0702-0.1639-0.3003 ( 4163 PWs) bands (ev): -8.5187 -8.5187 -8.4721 -8.4721 -8.4493 -8.4493 -8.4426 -8.4426 -7.8821 -7.8821 -7.6973 -7.6973 -7.6259 -7.6259 -7.6007 -7.6007 -7.5808 -7.5808 -7.5687 -7.5687 -7.4390 -7.4390 -7.0029 -7.0029 -5.0551 -5.0551 1.0412 1.0412 1.8044 1.8044 3.4040 3.4040 4.0887 4.0887 4.3255 4.3255 4.4102 4.4102 5.2335 5.2335 5.8987 5.8987 6.5178 6.5178 6.7643 6.7643 8.0998 8.0998 9.0656 9.0656 10.5409 10.5409 k = 0.0765-0.1787-0.3276 ( 4167 PWs) bands (ev): -8.5244 -8.5244 -8.4747 -8.4747 -8.4491 -8.4491 -8.4424 -8.4424 -7.8833 -7.8833 -7.7031 -7.7031 -7.6242 -7.6242 -7.6006 -7.6006 -7.5796 -7.5796 -7.5674 -7.5674 -7.4155 -7.4155 -6.9752 -6.9752 -5.0532 -5.0532 1.0317 1.0317 1.8069 1.8069 3.2952 3.2952 4.0588 4.0588 4.2637 4.2637 4.3540 4.3540 5.1884 5.1884 5.9297 5.9297 6.5530 6.5530 6.8087 6.8087 8.0474 8.0474 9.1484 9.1484 10.5405 10.5405 k = 0.0829-0.1936-0.3549 ( 4159 PWs) bands (ev): -8.5301 -8.5301 -8.4777 -8.4777 -8.4490 -8.4490 -8.4421 -8.4421 -7.8841 -7.8841 -7.7089 -7.7089 -7.6226 -7.6226 -7.6005 -7.6005 -7.5784 -7.5784 -7.5662 -7.5662 -7.3898 -7.3898 -6.9460 -6.9460 -5.0514 -5.0514 1.0212 1.0212 1.8067 1.8067 3.1921 3.1921 4.0295 4.0295 4.1837 4.1837 4.3068 4.3068 5.1482 5.1482 5.9479 5.9479 6.5876 6.5876 6.8537 6.8537 8.0021 8.0021 9.2255 9.2255 10.5334 10.5334 k = 0.0893-0.2085-0.3822 ( 4161 PWs) bands (ev): -8.5358 -8.5358 -8.4810 -8.4810 -8.4491 -8.4491 -8.4418 -8.4418 -7.8847 -7.8847 -7.7146 -7.7146 -7.6212 -7.6212 -7.6005 -7.6005 -7.5772 -7.5772 -7.5650 -7.5650 -7.3621 -7.3621 -6.9155 -6.9155 -5.0497 -5.0497 1.0098 1.0098 1.8026 1.8026 3.0961 3.0961 3.9986 3.9986 4.0944 4.0944 4.2639 4.2639 5.1123 5.1123 5.9541 5.9541 6.6201 6.6201 6.8982 6.8982 7.9657 7.9657 9.2954 9.2954 10.5147 10.5147 k = 0.0957-0.2234-0.4095 ( 4151 PWs) bands (ev): -8.5414 -8.5414 -8.4847 -8.4847 -8.4491 -8.4491 -8.4415 -8.4415 -7.8851 -7.8851 -7.7202 -7.7202 -7.6199 -7.6199 -7.6005 -7.6005 -7.5760 -7.5760 -7.5638 -7.5638 -7.3326 -7.3326 -6.8837 -6.8837 -5.0484 -5.0484 0.9975 0.9975 1.7933 1.7933 3.0085 3.0085 3.9509 3.9509 4.0162 4.0162 4.2220 4.2220 5.0799 5.0799 5.9488 5.9488 6.6488 6.6488 6.9411 6.9411 7.9392 7.9392 9.3570 9.3570 10.4796 10.4796 k = 0.1021-0.2383-0.4368 ( 4148 PWs) bands (ev): -8.5469 -8.5469 -8.4887 -8.4887 -8.4492 -8.4492 -8.4410 -8.4410 -7.8852 -7.8852 -7.7255 -7.7255 -7.6187 -7.6187 -7.6005 -7.6005 -7.5748 -7.5748 -7.5627 -7.5627 -7.3013 -7.3013 -6.8509 -6.8509 -5.0473 -5.0473 0.9844 0.9844 1.7775 1.7775 2.9308 2.9308 3.8617 3.8617 3.9766 3.9766 4.1799 4.1799 5.0505 5.0505 5.9331 5.9331 6.6725 6.6725 6.9815 6.9815 7.9234 7.9234 9.4091 9.4091 10.4277 10.4277 k = 0.1084-0.2532-0.4641 ( 4156 PWs) bands (ev): -8.5524 -8.5524 -8.4930 -8.4930 -8.4493 -8.4493 -8.4405 -8.4405 -7.8851 -7.8851 -7.7307 -7.7307 -7.6175 -7.6175 -7.6005 -7.6005 -7.5736 -7.5736 -7.5616 -7.5616 -7.2684 -7.2684 -6.8171 -6.8171 -5.0468 -5.0468 0.9706 0.9706 1.7541 1.7541 2.8643 2.8643 3.7558 3.7558 3.9523 3.9523 4.1375 4.1375 5.0235 5.0235 5.9078 5.9078 6.6910 6.6910 7.0185 7.0185 7.9179 7.9179 9.4511 9.4511 10.3638 10.3638 k = 0.1148-0.2681-0.4914 ( 4156 PWs) bands (ev): -8.5577 -8.5577 -8.4975 -8.4975 -8.4495 -8.4495 -8.4400 -8.4400 -7.8849 -7.8849 -7.7357 -7.7357 -7.6165 -7.6165 -7.6005 -7.6005 -7.5724 -7.5724 -7.5605 -7.5605 -7.2340 -7.2340 -6.7825 -6.7825 -5.0467 -5.0467 0.9562 0.9562 1.7221 1.7221 2.8097 2.8097 3.6456 3.6456 3.9314 3.9314 4.0955 4.0955 4.9986 4.9986 5.8737 5.8737 6.7043 6.7043 7.0511 7.0511 7.9220 7.9220 9.4829 9.4829 10.2928 10.2928 k = 0.1212-0.2830-0.5187 ( 4152 PWs) bands (ev): -8.5629 -8.5629 -8.5023 -8.5023 -8.4496 -8.4496 -8.4394 -8.4394 -7.8845 -7.8845 -7.7404 -7.7404 -7.6154 -7.6154 -7.6006 -7.6006 -7.5712 -7.5712 -7.5594 -7.5594 -7.1982 -7.1982 -6.7471 -6.7471 -5.0472 -5.0472 0.9413 0.9413 1.6812 1.6812 2.7675 2.7675 3.5341 3.5341 3.9103 3.9103 4.0555 4.0555 4.9757 4.9757 5.8317 5.8317 6.7130 6.7130 7.0785 7.0785 7.9340 7.9340 9.5052 9.5052 10.2182 10.2182 k = 0.1276-0.2979-0.5460 ( 4156 PWs) bands (ev): -8.5680 -8.5680 -8.5072 -8.5072 -8.4497 -8.4497 -8.4388 -8.4388 -7.8840 -7.8840 -7.7449 -7.7449 -7.6145 -7.6145 -7.6006 -7.6006 -7.5700 -7.5700 -7.5583 -7.5583 -7.1610 -7.1610 -6.7111 -6.7111 -5.0484 -5.0484 0.9262 0.9262 1.6319 1.6319 2.7370 2.7370 3.4226 3.4226 3.8860 3.8860 4.0198 4.0198 4.9549 4.9549 5.7831 5.7831 6.7180 6.7180 7.0999 7.0999 7.9521 7.9521 9.5195 9.5195 10.1422 10.1422 k = 0.1340-0.3128-0.5733 ( 4146 PWs) bands (ev): -8.5730 -8.5730 -8.5122 -8.5122 -8.4498 -8.4498 -8.4381 -8.4381 -7.8834 -7.8834 -7.7492 -7.7492 -7.6135 -7.6135 -7.6007 -7.6007 -7.5688 -7.5688 -7.5572 -7.5572 -7.1224 -7.1224 -6.6745 -6.6745 -5.0503 -5.0503 0.9108 0.9108 1.5752 1.5752 2.7171 2.7171 3.3120 3.3120 3.8553 3.8553 3.9912 3.9912 4.9363 4.9363 5.7287 5.7287 6.7201 6.7201 7.1145 7.1145 7.9742 7.9742 9.5278 9.5278 10.0669 10.0669 k = 0.1403-0.3277-0.6006 ( 4140 PWs) bands (ev): -8.5778 -8.5778 -8.5173 -8.5173 -8.4498 -8.4498 -8.4374 -8.4374 -7.8828 -7.8828 -7.7532 -7.7532 -7.6126 -7.6126 -7.6008 -7.6008 -7.5675 -7.5675 -7.5561 -7.5561 -7.0827 -7.0827 -6.6376 -6.6376 -5.0530 -5.0530 0.8954 0.8954 1.5125 1.5125 2.7059 2.7059 3.2032 3.2032 3.8174 3.8174 3.9703 3.9703 4.9204 4.9204 5.6698 5.6698 6.7199 6.7199 7.1217 7.1217 7.9981 7.9981 9.5324 9.5324 9.9940 9.9940 k = 0.1467-0.3426-0.6279 ( 4144 PWs) bands (ev): -8.5825 -8.5825 -8.5225 -8.5225 -8.4499 -8.4499 -8.4367 -8.4367 -7.8821 -7.8821 -7.7571 -7.7571 -7.6117 -7.6117 -7.6009 -7.6009 -7.5663 -7.5663 -7.5551 -7.5551 -7.0419 -7.0419 -6.6004 -6.6004 -5.0566 -5.0566 0.8800 0.8800 1.4454 1.4454 2.7015 2.7015 3.0966 3.0966 3.7740 3.7740 3.9554 3.9554 4.9077 4.9077 5.6075 5.6075 6.7177 6.7177 7.1212 7.1212 8.0218 8.0218 9.5358 9.5358 9.9253 9.9253 k = 0.1531-0.3575-0.6552 ( 4150 PWs) bands (ev): -8.5870 -8.5870 -8.5277 -8.5277 -8.4499 -8.4499 -8.4360 -8.4360 -7.8814 -7.8814 -7.7607 -7.7607 -7.6108 -7.6108 -7.6009 -7.6009 -7.5651 -7.5651 -7.5541 -7.5541 -7.0000 -7.0000 -6.5630 -6.5630 -5.0612 -5.0612 0.8649 0.8649 1.3754 1.3754 2.7016 2.7016 2.9930 2.9930 3.7276 3.7276 3.9436 3.9436 4.8989 4.8989 5.5429 5.5429 6.7138 6.7138 7.1126 7.1126 8.0433 8.0433 9.5398 9.5398 9.8625 9.8625 k = 0.1595-0.3724-0.6825 ( 4152 PWs) bands (ev): -8.5913 -8.5913 -8.5328 -8.5328 -8.4499 -8.4499 -8.4353 -8.4353 -7.8807 -7.8807 -7.7641 -7.7641 -7.6100 -7.6100 -7.6010 -7.6010 -7.5638 -7.5638 -7.5530 -7.5530 -6.9572 -6.9572 -6.5257 -6.5257 -5.0668 -5.0668 0.8500 0.8500 1.3041 1.3041 2.7041 2.7041 2.8928 2.8928 3.6807 3.6807 3.9328 3.9328 4.8945 4.8945 5.4770 5.4770 6.7082 6.7082 7.0960 7.0960 8.0607 8.0607 9.5459 9.5459 9.8073 9.8073 k = 0.1658-0.3873-0.7098 ( 4158 PWs) bands (ev): -8.5955 -8.5955 -8.5379 -8.5379 -8.4499 -8.4499 -8.4345 -8.4345 -7.8800 -7.8800 -7.7673 -7.7673 -7.6092 -7.6092 -7.6010 -7.6010 -7.5626 -7.5626 -7.5520 -7.5520 -6.9136 -6.9136 -6.4884 -6.4884 -5.0735 -5.0735 0.8354 0.8354 1.2324 1.2324 2.7064 2.7064 2.7968 2.7968 3.6350 3.6350 3.9212 3.9212 4.8954 4.8954 5.4109 5.4109 6.7008 6.7008 7.0716 7.0716 8.0726 8.0726 9.5551 9.5551 9.7612 9.7612 k = 0.1722-0.4022-0.7371 ( 4156 PWs) bands (ev): -8.5995 -8.5995 -8.5428 -8.5428 -8.4499 -8.4499 -8.4337 -8.4337 -7.8793 -7.8793 -7.7704 -7.7704 -7.6084 -7.6084 -7.6010 -7.6010 -7.5613 -7.5613 -7.5511 -7.5511 -6.8691 -6.8691 -6.4513 -6.4513 -5.0813 -5.0813 0.8211 0.8211 1.1616 1.1616 2.6956 2.6956 2.7164 2.7164 3.5924 3.5924 3.9076 3.9076 4.9021 4.9021 5.3456 5.3456 6.6915 6.6915 7.0397 7.0397 8.0776 8.0776 9.5677 9.5677 9.7259 9.7259 k = 0.1786-0.4171-0.7644 ( 4158 PWs) bands (ev): -8.6034 -8.6034 -8.5477 -8.5477 -8.4499 -8.4499 -8.4329 -8.4329 -7.8787 -7.8787 -7.7732 -7.7732 -7.6078 -7.6078 -7.6009 -7.6009 -7.5601 -7.5601 -7.5501 -7.5501 -6.8240 -6.8240 -6.4146 -6.4146 -5.0902 -5.0902 0.8070 0.8070 1.0924 1.0924 2.6150 2.6150 2.7065 2.7065 3.5545 3.5545 3.8911 3.8911 4.9149 4.9149 5.2822 5.2822 6.6800 6.6800 7.0011 7.0011 8.0747 8.0747 9.5836 9.5836 9.7025 9.7025 k = 0.1850-0.4320-0.7917 ( 4164 PWs) bands (ev): -8.6070 -8.6070 -8.5524 -8.5524 -8.4499 -8.4499 -8.4321 -8.4321 -7.8782 -7.8782 -7.7759 -7.7759 -7.6072 -7.6072 -7.6008 -7.6008 -7.5590 -7.5590 -7.5491 -7.5491 -6.7784 -6.7784 -6.3784 -6.3784 -5.1003 -5.1003 0.7930 0.7930 1.0256 1.0256 2.5336 2.5336 2.6968 2.6968 3.5227 3.5227 3.8710 3.8710 4.9337 4.9337 5.2220 5.2220 6.6660 6.6660 6.9564 6.9564 8.0636 8.0636 9.6024 9.6024 9.6919 9.6919 k = 0.1914-0.4469-0.8190 ( 4164 PWs) bands (ev): -8.6105 -8.6105 -8.5570 -8.5570 -8.4499 -8.4499 -8.4313 -8.4313 -7.8777 -7.8777 -7.7785 -7.7785 -7.6068 -7.6068 -7.6006 -7.6006 -7.5578 -7.5578 -7.5482 -7.5482 -6.7322 -6.7322 -6.3428 -6.3428 -5.1115 -5.1115 0.7787 0.7787 0.9620 0.9620 2.4576 2.4576 2.6800 2.6800 3.4979 3.4979 3.8470 3.8470 4.9574 4.9574 5.1672 5.1672 6.6491 6.6491 6.9064 6.9064 8.0444 8.0444 9.6232 9.6232 9.6942 9.6942 k = 0.1977-0.4618-0.8463 ( 4166 PWs) bands (ev): -8.6139 -8.6139 -8.5613 -8.5613 -8.4498 -8.4498 -8.4304 -8.4304 -7.8772 -7.8772 -7.7808 -7.7808 -7.6065 -7.6065 -7.6003 -7.6003 -7.5567 -7.5567 -7.5473 -7.5473 -6.6858 -6.6858 -6.3081 -6.3081 -5.1239 -5.1239 0.7636 0.7636 0.9024 0.9024 2.3880 2.3880 2.6548 2.6548 3.4802 3.4802 3.8191 3.8191 4.9816 4.9816 5.1230 5.1230 6.6288 6.6288 6.8522 6.8522 8.0178 8.0178 9.6464 9.6464 9.7082 9.7082 k = 0.2041-0.4767-0.8736 ( 4166 PWs) bands (ev): -8.6170 -8.6170 -8.5655 -8.5655 -8.4498 -8.4498 -8.4296 -8.4296 -7.8769 -7.8769 -7.7831 -7.7831 -7.6062 -7.6062 -7.5999 -7.5999 -7.5557 -7.5557 -7.5464 -7.5464 -6.6392 -6.6392 -6.2742 -6.2742 -5.1375 -5.1375 0.7467 0.7467 0.8479 0.8479 2.3253 2.3253 2.6212 2.6212 3.4692 3.4692 3.7875 3.7875 4.9915 4.9915 5.1050 5.1050 6.6045 6.6045 6.7949 6.7949 7.9847 7.9847 9.6728 9.6728 9.7310 9.7310 k = 0.2105-0.4916-0.9009 ( 4170 PWs) bands (ev): -8.6200 -8.6200 -8.5694 -8.5694 -8.4498 -8.4498 -8.4287 -8.4287 -7.8766 -7.8766 -7.7852 -7.7852 -7.6061 -7.6061 -7.5994 -7.5994 -7.5547 -7.5547 -7.5455 -7.5455 -6.5924 -6.5924 -6.2413 -6.2413 -5.1522 -5.1522 0.7258 0.7258 0.8009 0.8009 2.2700 2.2700 2.5798 2.5798 3.4632 3.4632 3.7524 3.7524 4.9736 4.9736 5.1271 5.1271 6.5753 6.5753 6.7359 6.7359 7.9465 7.9465 9.7033 9.7033 9.7597 9.7597 k = 0.2169-0.5064-0.9282 ( 4164 PWs) bands (ev): -8.6228 -8.6228 -8.5731 -8.5731 -8.4497 -8.4497 -8.4279 -8.4279 -7.8764 -7.8764 -7.7871 -7.7871 -7.6061 -7.6061 -7.5988 -7.5988 -7.5538 -7.5538 -7.5447 -7.5447 -6.5457 -6.5457 -6.2097 -6.2097 -5.1680 -5.1680 0.6980 0.6980 0.7644 0.7644 2.2227 2.2227 2.5318 2.5318 3.4603 3.4603 3.7143 3.7143 4.9451 4.9451 5.1729 5.1729 6.5401 6.5401 6.6769 6.6769 7.9045 7.9045 9.7374 9.7374 9.7925 9.7925 k = 0.2233-0.5213-0.9555 ( 4166 PWs) bands (ev): -8.6255 -8.6255 -8.5766 -8.5766 -8.4497 -8.4497 -8.4270 -8.4270 -7.8763 -7.8763 -7.7889 -7.7889 -7.6061 -7.6061 -7.5983 -7.5983 -7.5529 -7.5529 -7.5439 -7.5439 -6.4993 -6.4993 -6.1793 -6.1793 -5.1848 -5.1848 0.6638 0.6638 0.7378 0.7378 2.1836 2.1836 2.4785 2.4785 3.4582 3.4582 3.6738 3.6738 4.9190 4.9190 5.2298 5.2298 6.4973 6.4973 6.6201 6.6201 7.8598 7.8598 9.7731 9.7731 9.8290 9.8290 k = 0.2296-0.5362-0.9828 ( 4168 PWs) bands (ev): -8.6280 -8.6280 -8.5799 -8.5799 -8.4497 -8.4497 -8.4261 -8.4261 -7.8763 -7.8763 -7.7906 -7.7906 -7.6062 -7.6062 -7.5977 -7.5977 -7.5521 -7.5521 -7.5431 -7.5431 -6.4532 -6.4532 -6.1504 -6.1504 -5.2025 -5.2025 0.6278 0.6278 0.7165 0.7165 2.1533 2.1533 2.4212 2.4212 3.4547 3.4547 3.6316 3.6316 4.8995 4.8995 5.2938 5.2938 6.4463 6.4463 6.5668 6.5668 7.8137 7.8137 9.8073 9.8073 9.8698 9.8698 k = 0.2360-0.5511-1.0101 ( 4160 PWs) bands (ev): -8.6303 -8.6303 -8.5828 -8.5828 -8.4496 -8.4496 -8.4253 -8.4253 -7.8763 -7.8763 -7.7922 -7.7922 -7.6064 -7.6064 -7.5971 -7.5971 -7.5514 -7.5514 -7.5424 -7.5424 -6.4077 -6.4077 -6.1230 -6.1230 -5.2211 -5.2211 0.5934 0.5934 0.6971 0.6971 2.1320 2.1320 2.3612 2.3612 3.4475 3.4475 3.5885 3.5885 4.8887 4.8887 5.3633 5.3633 6.3879 6.3879 6.5169 6.5169 7.7670 7.7670 9.8370 9.8370 9.9154 9.9154 k = 0.2424-0.5660-1.0374 ( 4166 PWs) bands (ev): -8.6324 -8.6324 -8.5856 -8.5856 -8.4496 -8.4496 -8.4244 -8.4244 -7.8764 -7.8764 -7.7936 -7.7936 -7.6065 -7.6065 -7.5965 -7.5965 -7.5507 -7.5507 -7.5417 -7.5417 -6.3628 -6.3628 -6.0973 -6.0973 -5.2403 -5.2403 0.5623 0.5623 0.6780 0.6780 2.1196 2.1196 2.2996 2.2996 3.4343 3.4343 3.5458 3.5458 4.8874 4.8874 5.4369 5.4369 6.3246 6.3246 6.4691 6.4691 7.7204 7.7204 9.8610 9.8610 9.9649 9.9649 k = 0.2488-0.5809-1.0647 ( 4168 PWs) bands (ev): -8.6344 -8.6344 -8.5881 -8.5881 -8.4496 -8.4496 -8.4236 -8.4236 -7.8766 -7.8766 -7.7949 -7.7949 -7.6066 -7.6066 -7.5959 -7.5959 -7.5501 -7.5501 -7.5411 -7.5411 -6.3189 -6.3189 -6.0733 -6.0733 -5.2602 -5.2602 0.5350 0.5350 0.6589 0.6589 2.1162 2.1162 2.2375 2.2375 3.4132 3.4132 3.5050 3.5050 4.8959 4.8959 5.5134 5.5134 6.2591 6.2591 6.4218 6.4218 7.6747 7.6747 9.8787 9.8787 10.0166 10.0166 k = 0.2552-0.5958-1.0920 ( 4170 PWs) bands (ev): -8.6363 -8.6363 -8.5903 -8.5903 -8.4496 -8.4496 -8.4228 -8.4228 -7.8769 -7.8769 -7.7961 -7.7961 -7.6068 -7.6068 -7.5953 -7.5953 -7.5496 -7.5496 -7.5406 -7.5406 -6.2762 -6.2762 -6.0511 -6.0511 -5.2804 -5.2804 0.5117 0.5117 0.6397 0.6397 2.1210 2.1210 2.1762 2.1762 3.3829 3.3829 3.4672 3.4672 4.9140 4.9140 5.5910 5.5910 6.1942 6.1942 6.3746 6.3746 7.6300 7.6300 9.8902 9.8902 10.0689 10.0689 k = 0.2615-0.6107-1.1193 ( 4174 PWs) bands (ev): -8.6379 -8.6379 -8.5923 -8.5923 -8.4496 -8.4496 -8.4220 -8.4220 -7.8772 -7.8772 -7.7972 -7.7972 -7.6070 -7.6070 -7.5947 -7.5947 -7.5491 -7.5491 -7.5401 -7.5401 -6.2348 -6.2348 -6.0308 -6.0308 -5.3009 -5.3009 0.4924 0.4924 0.6206 0.6206 2.1099 2.1099 2.1404 2.1404 3.3447 3.3447 3.4314 3.4314 4.9410 4.9410 5.6662 5.6662 6.1339 6.1339 6.3273 6.3273 7.5866 7.5866 9.8955 9.8955 10.1200 10.1200 k = 0.2679-0.6256-1.1466 ( 4172 PWs) bands (ev): -8.6394 -8.6394 -8.5941 -8.5941 -8.4496 -8.4496 -8.4213 -8.4213 -7.8775 -7.8775 -7.7982 -7.7982 -7.6071 -7.6071 -7.5942 -7.5942 -7.5487 -7.5487 -7.5396 -7.5396 -6.1950 -6.1950 -6.0125 -6.0125 -5.3213 -5.3213 0.4770 0.4770 0.6019 0.6019 2.0527 2.0527 2.1606 2.1606 3.3013 3.3013 3.3957 3.3957 4.9759 4.9759 5.7313 5.7313 6.0857 6.0857 6.2808 6.2808 7.5447 7.5447 9.8951 9.8951 10.1682 10.1682 k = 0.2743-0.6405-1.1739 ( 4172 PWs) bands (ev): -8.6408 -8.6408 -8.5956 -8.5956 -8.4496 -8.4496 -8.4206 -8.4206 -7.8780 -7.8780 -7.7991 -7.7991 -7.6073 -7.6073 -7.5937 -7.5937 -7.5483 -7.5483 -7.5393 -7.5393 -6.1572 -6.1572 -5.9961 -5.9961 -5.3415 -5.3415 0.4650 0.4650 0.5841 0.5841 1.9958 1.9958 2.1909 2.1909 3.2551 3.2551 3.3584 3.3584 5.0173 5.0173 5.7694 5.7694 6.0650 6.0650 6.2372 6.2372 7.5043 7.5043 9.8895 9.8895 10.2117 10.2117 k = 0.2807-0.6554-1.2012 ( 4170 PWs) bands (ev): -8.6420 -8.6420 -8.5969 -8.5969 -8.4496 -8.4496 -8.4199 -8.4199 -7.8784 -7.8784 -7.7998 -7.7998 -7.6074 -7.6074 -7.5933 -7.5933 -7.5479 -7.5479 -7.5390 -7.5390 -6.1216 -6.1216 -5.9817 -5.9817 -5.3612 -5.3612 0.4561 0.4561 0.5677 0.5677 1.9417 1.9417 2.2288 2.2288 3.2078 3.2078 3.3188 3.3188 5.0635 5.0635 5.7638 5.7638 6.0825 6.0825 6.2038 6.2038 7.4654 7.4654 9.8795 9.8795 10.2477 10.2477 k = 0.2870-0.6703-1.2285 ( 4176 PWs) bands (ev): -8.6431 -8.6431 -8.5980 -8.5980 -8.4496 -8.4496 -8.4193 -8.4193 -7.8788 -7.8788 -7.8005 -7.8005 -7.6075 -7.6075 -7.5929 -7.5929 -7.5476 -7.5476 -7.5388 -7.5388 -6.0886 -6.0886 -5.9693 -5.9693 -5.3799 -5.3799 0.4496 0.4496 0.5532 0.5532 1.8914 1.8914 2.2737 2.2737 3.1603 3.1603 3.2771 3.2771 5.1124 5.1124 5.7239 5.7239 6.0983 6.0983 6.2122 6.2122 7.4278 7.4278 9.8657 9.8657 10.2725 10.2725 k = 0.2934-0.6852-1.2558 ( 4172 PWs) bands (ev): -8.6440 -8.6440 -8.5990 -8.5990 -8.4496 -8.4496 -8.4187 -8.4187 -7.8793 -7.8793 -7.8010 -7.8010 -7.6076 -7.6076 -7.5925 -7.5925 -7.5474 -7.5474 -7.5386 -7.5386 -6.0587 -6.0587 -5.9588 -5.9588 -5.3975 -5.3975 0.4449 0.4449 0.5410 0.5410 1.8455 1.8455 2.3250 2.3250 3.1132 3.1132 3.2336 3.2336 5.1616 5.1616 5.6680 5.6680 6.0784 6.0784 6.2799 6.2799 7.3915 7.3915 9.8487 9.8487 10.2821 10.2821 k = 0.2998-0.7001-1.2831 ( 4166 PWs) bands (ev): -8.6448 -8.6448 -8.5997 -8.5997 -8.4496 -8.4496 -8.4182 -8.4182 -7.8797 -7.8797 -7.8015 -7.8015 -7.6077 -7.6077 -7.5922 -7.5922 -7.5472 -7.5472 -7.5385 -7.5385 -6.0322 -6.0322 -5.9501 -5.9501 -5.4133 -5.4133 0.4413 0.4413 0.5316 0.5316 1.8051 1.8051 2.3821 2.3821 3.0671 3.0671 3.1886 3.1886 5.2079 5.2079 5.6060 5.6060 6.0521 6.0521 6.3700 6.3700 7.3565 7.3565 9.8293 9.8293 10.2775 10.2775 k = 0.3062-0.7150-1.3104 ( 4174 PWs) bands (ev): -8.6454 -8.6454 -8.6003 -8.6003 -8.4496 -8.4496 -8.4178 -8.4178 -7.8801 -7.8801 -7.8018 -7.8018 -7.6077 -7.6077 -7.5919 -7.5919 -7.5470 -7.5470 -7.5384 -7.5384 -6.0096 -6.0096 -5.9432 -5.9432 -5.4271 -5.4271 0.4382 0.4382 0.5249 0.5249 1.7709 1.7709 2.4444 2.4444 3.0225 3.0225 3.1426 3.1426 5.2478 5.2478 5.5421 5.5421 6.0323 6.0323 6.4683 6.4683 7.3226 7.3226 9.8078 9.8078 10.2635 10.2635 k = 0.3126-0.7299-1.3377 ( 4178 PWs) bands (ev): -8.6459 -8.6459 -8.6007 -8.6007 -8.4496 -8.4496 -8.4175 -8.4175 -7.8805 -7.8805 -7.8021 -7.8021 -7.6078 -7.6078 -7.5917 -7.5917 -7.5468 -7.5468 -7.5384 -7.5384 -5.9914 -5.9914 -5.9380 -5.9380 -5.4384 -5.4384 0.4353 0.4353 0.5206 0.5206 1.7438 1.7438 2.5112 2.5112 2.9799 2.9799 3.0962 3.0962 5.2771 5.2771 5.4783 5.4783 6.0245 6.0245 6.5704 6.5704 7.2899 7.2899 9.7846 9.7846 10.2435 10.2435 k = 0.3189-0.7448-1.3650 ( 4174 PWs) bands (ev): -8.6462 -8.6462 -8.6010 -8.6010 -8.4496 -8.4496 -8.4172 -8.4172 -7.8808 -7.8808 -7.8023 -7.8023 -7.6078 -7.6078 -7.5915 -7.5915 -7.5467 -7.5467 -7.5384 -7.5384 -5.9779 -5.9779 -5.9343 -5.9343 -5.4469 -5.4469 0.4327 0.4327 0.5180 0.5180 1.7249 1.7249 2.5812 2.5812 2.9402 2.9402 3.0496 3.0496 5.2917 5.2917 5.4168 5.4168 6.0319 6.0319 6.6744 6.6744 7.2582 7.2582 9.7600 9.7600 10.2194 10.2194 k = 0.3253-0.7597-1.3923 ( 4180 PWs) bands (ev): -8.6464 -8.6464 -8.6012 -8.6012 -8.4496 -8.4496 -8.4170 -8.4170 -7.8810 -7.8810 -7.8024 -7.8024 -7.6079 -7.6079 -7.5914 -7.5914 -7.5467 -7.5467 -7.5384 -7.5384 -5.9692 -5.9692 -5.9322 -5.9322 -5.4523 -5.4523 0.4304 0.4304 0.5162 0.5162 1.7148 1.7148 2.6522 2.6522 2.9052 2.9052 3.0033 3.0033 5.2872 5.2872 5.3610 5.3610 6.0556 6.0556 6.7790 6.7790 7.2277 7.2277 9.7344 9.7344 10.1925 10.1925 k = 0.3317-0.7746-1.4196 ( 4178 PWs) bands (ev): -8.6465 -8.6465 -8.6013 -8.6013 -8.4496 -8.4496 -8.4170 -8.4170 -7.8810 -7.8810 -7.8024 -7.8024 -7.6079 -7.6079 -7.5913 -7.5913 -7.5466 -7.5466 -7.5384 -7.5384 -5.9650 -5.9650 -5.9318 -5.9318 -5.4546 -5.4546 0.4285 0.4285 0.5144 0.5144 1.7144 1.7144 2.7175 2.7175 2.8815 2.8815 2.9577 2.9577 5.2578 5.2578 5.3181 5.3181 6.0944 6.0944 6.8830 6.8830 7.1984 7.1984 9.7079 9.7079 10.1635 10.1635 k = 0.3381-0.7895-1.4469 ( 4174 PWs) bands (ev): -8.6465 -8.6465 -8.6013 -8.6013 -8.4496 -8.4496 -8.4170 -8.4170 -7.8810 -7.8810 -7.8024 -7.8024 -7.6079 -7.6079 -7.5913 -7.5913 -7.5466 -7.5466 -7.5384 -7.5384 -5.9649 -5.9649 -5.9334 -5.9334 -5.4539 -5.4539 0.4267 0.4267 0.5123 0.5123 1.7241 1.7241 2.7543 2.7543 2.8908 2.8908 2.9136 2.9136 5.2096 5.2096 5.2848 5.2848 6.1453 6.1453 6.9855 6.9855 7.1705 7.1705 9.6808 9.6808 10.1328 10.1328 k = 0.6619-0.6869-1.3860 ( 4174 PWs) bands (ev): -8.6465 -8.6465 -8.6013 -8.6013 -8.4496 -8.4496 -8.4170 -8.4170 -7.8810 -7.8810 -7.8024 -7.8024 -7.6079 -7.6079 -7.5913 -7.5913 -7.5466 -7.5466 -7.5384 -7.5384 -5.9649 -5.9649 -5.9334 -5.9334 -5.4539 -5.4539 0.4267 0.4267 0.5123 0.5123 1.7241 1.7241 2.7543 2.7543 2.8908 2.8908 2.9136 2.9136 5.2096 5.2096 5.2848 5.2848 6.1453 6.1453 6.9855 6.9855 7.1705 7.1705 9.6808 9.6808 10.1328 10.1328 k = 0.6557-0.6565-1.3860 ( 4174 PWs) bands (ev): -8.6463 -8.6463 -8.6012 -8.6012 -8.4496 -8.4496 -8.4171 -8.4171 -7.8808 -7.8808 -7.8024 -7.8024 -7.6079 -7.6079 -7.5914 -7.5914 -7.5467 -7.5467 -7.5383 -7.5383 -5.9681 -5.9681 -5.9368 -5.9368 -5.4507 -5.4507 0.4244 0.4244 0.5103 0.5103 1.7436 1.7436 2.7486 2.7486 2.8710 2.8710 2.9467 2.9467 5.1579 5.1579 5.2511 5.2511 6.2030 6.2030 7.0827 7.0827 7.1450 7.1450 9.6538 9.6538 10.0969 10.0969 k = 0.6495-0.6262-1.3860 ( 4178 PWs) bands (ev): -8.6460 -8.6460 -8.6011 -8.6011 -8.4496 -8.4496 -8.4173 -8.4173 -7.8805 -7.8805 -7.8023 -7.8023 -7.6080 -7.6080 -7.5915 -7.5915 -7.5468 -7.5468 -7.5382 -7.5382 -5.9741 -5.9741 -5.9420 -5.9420 -5.4453 -5.4453 0.4204 0.4204 0.5091 0.5091 1.7731 1.7731 2.7260 2.7260 2.8312 2.8312 3.0219 3.0219 5.1070 5.1070 5.2140 5.2140 6.2651 6.2651 7.1201 7.1201 7.1773 7.1773 9.6265 9.6265 10.0414 10.0414 k = 0.6432-0.5958-1.3860 ( 4182 PWs) bands (ev): -8.6456 -8.6456 -8.6010 -8.6010 -8.4496 -8.4496 -8.4177 -8.4177 -7.8800 -7.8800 -7.8022 -7.8022 -7.6080 -7.6080 -7.5917 -7.5917 -7.5468 -7.5468 -7.5382 -7.5382 -5.9826 -5.9826 -5.9485 -5.9485 -5.4384 -5.4384 0.4136 0.4136 0.5100 0.5100 1.8121 1.8121 2.6991 2.6991 2.7941 2.7941 3.1033 3.1033 5.0588 5.0588 5.1742 5.1742 6.3286 6.3286 7.0986 7.0986 7.2659 7.2659 9.5988 9.5988 9.9717 9.9717 k = 0.6370-0.5655-1.3860 ( 4178 PWs) bands (ev): -8.6451 -8.6451 -8.6008 -8.6008 -8.4496 -8.4496 -8.4181 -8.4181 -7.8793 -7.8793 -7.8021 -7.8021 -7.6080 -7.6080 -7.5919 -7.5919 -7.5469 -7.5469 -7.5380 -7.5380 -5.9933 -5.9933 -5.9561 -5.9561 -5.4302 -5.4302 0.4031 0.4031 0.5138 0.5138 1.8604 1.8604 2.6710 2.6710 2.7607 2.7607 3.1865 3.1865 5.0142 5.0142 5.1327 5.1327 6.3905 6.3905 7.0797 7.0797 7.3484 7.3484 9.5710 9.5710 9.8973 9.8973 k = 0.6308-0.5351-1.3860 ( 4178 PWs) bands (ev): -8.6445 -8.6445 -8.6007 -8.6007 -8.4496 -8.4496 -8.4186 -8.4186 -7.8784 -7.8784 -7.8020 -7.8020 -7.6081 -7.6081 -7.5922 -7.5922 -7.5470 -7.5470 -7.5379 -7.5379 -6.0057 -6.0057 -5.9645 -5.9645 -5.4214 -5.4214 0.3890 0.3890 0.5207 0.5207 1.9172 1.9172 2.6420 2.6420 2.7320 2.7320 3.2691 3.2691 4.9743 4.9743 5.0906 5.0906 6.4480 6.4480 7.0642 7.0642 7.4232 7.4232 9.5429 9.5429 9.8218 9.8218 k = 0.6246-0.5047-1.3860 ( 4182 PWs) bands (ev): -8.6438 -8.6438 -8.6006 -8.6006 -8.4495 -8.4495 -8.4192 -8.4192 -7.8774 -7.8774 -7.8019 -7.8019 -7.6082 -7.6082 -7.5925 -7.5925 -7.5471 -7.5471 -7.5377 -7.5377 -6.0196 -6.0196 -5.9734 -5.9734 -5.4122 -5.4122 0.3718 0.3718 0.5303 0.5303 1.9818 1.9818 2.6120 2.6120 2.7089 2.7089 3.3493 3.3493 4.9397 4.9397 5.0491 5.0491 6.4983 6.4983 7.0533 7.0533 7.4889 7.4889 9.5145 9.5145 9.7475 9.7475 k = 0.6183-0.4744-1.3860 ( 4172 PWs) bands (ev): -8.6430 -8.6430 -8.6005 -8.6005 -8.4495 -8.4495 -8.4200 -8.4200 -7.8761 -7.8761 -7.8018 -7.8018 -7.6083 -7.6083 -7.5929 -7.5929 -7.5472 -7.5472 -7.5375 -7.5375 -6.0345 -6.0345 -5.9827 -5.9827 -5.4029 -5.4029 0.3525 0.3525 0.5421 0.5421 2.0536 2.0536 2.5814 2.5814 2.6917 2.6917 3.4251 3.4251 4.9107 4.9107 5.0099 5.0099 6.5387 6.5387 7.0475 7.0475 7.5439 7.5439 9.4856 9.4856 9.6769 9.6769 k = 0.6121-0.4440-1.3860 ( 4174 PWs) bands (ev): -8.6421 -8.6421 -8.6004 -8.6004 -8.4494 -8.4494 -8.4208 -8.4208 -7.8746 -7.8746 -7.8018 -7.8018 -7.6085 -7.6085 -7.5934 -7.5934 -7.5472 -7.5472 -7.5373 -7.5373 -6.0500 -6.0500 -5.9923 -5.9923 -5.3938 -5.3938 0.3316 0.3316 0.5555 0.5555 2.1316 2.1316 2.5508 2.5508 2.6802 2.6802 3.4944 3.4944 4.8861 4.8861 4.9763 4.9763 6.5672 6.5672 7.0471 7.0471 7.5872 7.5872 9.4564 9.4564 9.6120 9.6120 k = 0.6059-0.4136-1.3860 ( 4174 PWs) bands (ev): -8.6411 -8.6411 -8.6004 -8.6004 -8.4493 -8.4493 -8.4217 -8.4217 -7.8729 -7.8729 -7.8019 -7.8019 -7.6087 -7.6087 -7.5939 -7.5939 -7.5471 -7.5471 -7.5371 -7.5371 -6.0658 -6.0658 -6.0022 -6.0022 -5.3850 -5.3850 0.3097 0.3097 0.5700 0.5700 2.2148 2.2148 2.5210 2.5210 2.6741 2.6741 3.5550 3.5550 4.8614 4.8614 4.9550 4.9550 6.5830 6.5830 7.0512 7.0512 7.6176 7.6176 9.4267 9.4267 9.5548 9.5548 k = 0.5996-0.3833-1.3860 ( 4174 PWs) bands (ev): -8.6400 -8.6400 -8.6005 -8.6005 -8.4493 -8.4493 -8.4226 -8.4226 -7.8710 -7.8710 -7.8020 -7.8020 -7.6089 -7.6089 -7.5944 -7.5944 -7.5470 -7.5470 -7.5368 -7.5368 -6.0816 -6.0816 -6.0121 -6.0121 -5.3767 -5.3767 0.2875 0.2875 0.5853 0.5853 2.3014 2.3014 2.4937 2.4937 2.6733 2.6733 3.6049 3.6049 4.8311 4.8311 4.9533 4.9533 6.5864 6.5864 7.0578 7.0578 7.6347 7.6347 9.3968 9.3968 9.5071 9.5071 k = 0.5934-0.3529-1.3860 ( 4170 PWs) bands (ev): -8.6389 -8.6389 -8.6007 -8.6007 -8.4491 -8.4491 -8.4236 -8.4236 -7.8688 -7.8688 -7.8023 -7.8023 -7.6091 -7.6091 -7.5949 -7.5949 -7.5469 -7.5469 -7.5366 -7.5366 -6.0973 -6.0973 -6.0220 -6.0220 -5.3689 -5.3689 0.2653 0.2653 0.6009 0.6009 2.3836 2.3836 2.4761 2.4761 2.6778 2.6778 3.6423 3.6423 4.7953 4.7953 4.9724 4.9724 6.5790 6.5790 7.0642 7.0642 7.6384 7.6384 9.3673 9.3673 9.4700 9.4700 k = 0.5872-0.3225-1.3860 ( 4174 PWs) bands (ev): -8.6376 -8.6376 -8.6009 -8.6009 -8.4490 -8.4490 -8.4247 -8.4247 -7.8665 -7.8665 -7.8026 -7.8026 -7.6094 -7.6094 -7.5955 -7.5955 -7.5466 -7.5466 -7.5365 -7.5365 -6.1125 -6.1125 -6.0319 -6.0319 -5.3617 -5.3617 0.2435 0.2435 0.6165 0.6165 2.4129 2.4129 2.5156 2.5156 2.6881 2.6881 3.6665 3.6665 4.7567 4.7567 5.0104 5.0104 6.5623 6.5623 7.0680 7.0680 7.6288 7.6288 9.3380 9.3380 9.4445 9.4445 k = 0.5810-0.2922-1.3860 ( 4174 PWs) bands (ev): -8.6363 -8.6363 -8.6012 -8.6012 -8.4488 -8.4488 -8.4258 -8.4258 -7.8641 -7.8641 -7.8031 -7.8031 -7.6098 -7.6098 -7.5961 -7.5961 -7.5463 -7.5463 -7.5363 -7.5363 -6.1273 -6.1273 -6.0416 -6.0416 -5.3552 -5.3552 0.2224 0.2224 0.6317 0.6317 2.3959 2.3959 2.6030 2.6030 2.7065 2.7065 3.6776 3.6776 4.7166 4.7166 5.0651 5.0651 6.5380 6.5380 7.0674 7.0674 7.6065 7.6065 9.3088 9.3088 9.4315 9.4315 k = 0.5747-0.2618-1.3860 ( 4176 PWs) bands (ev): -8.6349 -8.6349 -8.6017 -8.6017 -8.4487 -8.4487 -8.4270 -8.4270 -7.8614 -7.8614 -7.8037 -7.8037 -7.6101 -7.6101 -7.5966 -7.5966 -7.5460 -7.5460 -7.5362 -7.5362 -6.1413 -6.1413 -6.0509 -6.0509 -5.3493 -5.3493 0.2021 0.2021 0.6465 0.6465 2.3738 2.3738 2.6819 2.6819 2.7473 2.7473 3.6765 3.6765 4.6758 4.6758 5.1345 5.1345 6.5071 6.5071 7.0616 7.0616 7.5725 7.5725 9.2788 9.2788 9.4315 9.4315 k = 0.5685-0.2314-1.3860 ( 4170 PWs) bands (ev): -8.6335 -8.6335 -8.6022 -8.6022 -8.4484 -8.4484 -8.4281 -8.4281 -7.8586 -7.8586 -7.8044 -7.8044 -7.6105 -7.6105 -7.5971 -7.5971 -7.5456 -7.5456 -7.5361 -7.5361 -6.1546 -6.1546 -6.0599 -6.0599 -5.3440 -5.3440 0.1829 0.1829 0.6605 0.6605 2.3521 2.3521 2.7236 2.7236 2.8330 2.8330 3.6649 3.6649 4.6344 4.6344 5.2163 5.2163 6.4707 6.4707 7.0511 7.0511 7.5275 7.5275 9.2480 9.2480 9.4440 9.4440 k = 0.5623-0.2011-1.3860 ( 4170 PWs) bands (ev): -8.6320 -8.6320 -8.6029 -8.6029 -8.4482 -8.4482 -8.4293 -8.4293 -7.8557 -7.8557 -7.8053 -7.8053 -7.6109 -7.6109 -7.5977 -7.5977 -7.5451 -7.5451 -7.5361 -7.5361 -6.1670 -6.1670 -6.0684 -6.0684 -5.3393 -5.3393 0.1650 0.1650 0.6735 0.6735 2.3317 2.3317 2.7545 2.7545 2.9356 2.9356 3.6445 3.6445 4.5922 4.5922 5.3082 5.3082 6.4297 6.4297 7.0367 7.0367 7.4725 7.4725 9.2164 9.2164 9.4672 9.4672 k = 0.5561-0.1707-1.3860 ( 4166 PWs) bands (ev): -8.6305 -8.6305 -8.6037 -8.6037 -8.4479 -8.4479 -8.4304 -8.4304 -7.8527 -7.8527 -7.8064 -7.8064 -7.6113 -7.6113 -7.5981 -7.5981 -7.5446 -7.5446 -7.5361 -7.5361 -6.1785 -6.1785 -6.0764 -6.0764 -5.3351 -5.3351 0.1485 0.1485 0.6855 0.6855 2.3129 2.3129 2.7865 2.7865 3.0417 3.0417 3.6172 3.6172 4.5491 4.5491 5.4080 5.4080 6.3852 6.3852 7.0197 7.0197 7.4085 7.4085 9.1845 9.1845 9.4993 9.4993 k = 0.5498-0.1404-1.3860 ( 4168 PWs) bands (ev): -8.6289 -8.6289 -8.6045 -8.6045 -8.4476 -8.4476 -8.4316 -8.4316 -7.8496 -7.8496 -7.8077 -7.8077 -7.6117 -7.6117 -7.5986 -7.5986 -7.5440 -7.5440 -7.5361 -7.5361 -6.1889 -6.1889 -6.0837 -6.0837 -5.3316 -5.3316 0.1334 0.1334 0.6964 0.6964 2.2958 2.2958 2.8214 2.8214 3.1479 3.1479 3.5851 3.5851 4.5045 4.5045 5.5135 5.5135 6.3387 6.3387 7.0013 7.0013 7.3366 7.3366 9.1528 9.1528 9.5377 9.5377 k = 0.5436-0.1100-1.3860 ( 4180 PWs) bands (ev): -8.6273 -8.6273 -8.6055 -8.6055 -8.4473 -8.4473 -8.4327 -8.4327 -7.8464 -7.8464 -7.8092 -7.8092 -7.6120 -7.6120 -7.5990 -7.5990 -7.5434 -7.5434 -7.5363 -7.5363 -6.1982 -6.1982 -6.0904 -6.0904 -5.3285 -5.3285 0.1200 0.1200 0.7060 0.7060 2.2807 2.2807 2.8592 2.8592 3.2512 3.2512 3.5510 3.5510 4.4580 4.4580 5.6227 5.6227 6.2920 6.2920 6.9825 6.9825 7.2577 7.2577 9.1219 9.1219 9.5800 9.5800 k = 0.5374-0.0796-1.3860 ( 4176 PWs) bands (ev): -8.6256 -8.6256 -8.6066 -8.6066 -8.4469 -8.4469 -8.4337 -8.4337 -7.8432 -7.8432 -7.8108 -7.8108 -7.6124 -7.6124 -7.5994 -7.5994 -7.5428 -7.5428 -7.5364 -7.5364 -6.2064 -6.2064 -6.0963 -6.0963 -5.3259 -5.3259 0.1082 0.1082 0.7143 0.7143 2.2675 2.2675 2.9000 2.9000 3.3441 3.3441 3.5222 3.5222 4.4091 4.4091 5.7331 5.7331 6.2480 6.2480 6.9635 6.9635 7.1736 7.1736 9.0926 9.0926 9.6235 9.6235 k = 0.5311-0.0493-1.3860 ( 4174 PWs) bands (ev): -8.6240 -8.6240 -8.6078 -8.6078 -8.4466 -8.4466 -8.4346 -8.4346 -7.8400 -7.8400 -7.8127 -7.8127 -7.6127 -7.6127 -7.5997 -7.5997 -7.5422 -7.5422 -7.5367 -7.5367 -6.2134 -6.2134 -6.1014 -6.1014 -5.3238 -5.3238 0.0981 0.0981 0.7213 0.7213 2.2563 2.2563 2.9434 2.9434 3.3941 3.3941 3.5311 3.5311 4.3574 4.3574 5.8408 5.8408 6.2112 6.2112 6.9429 6.9429 7.0873 7.0873 9.0658 9.0658 9.6658 9.6658 k = 0.5249-0.0189-1.3860 ( 4168 PWs) bands (ev): -8.6224 -8.6224 -8.6090 -8.6090 -8.4462 -8.4462 -8.4355 -8.4355 -7.8368 -7.8368 -7.8147 -7.8147 -7.6130 -7.6130 -7.5999 -7.5999 -7.5416 -7.5416 -7.5369 -7.5369 -6.2191 -6.2191 -6.1056 -6.1056 -5.3221 -5.3221 0.0898 0.0898 0.7271 0.7271 2.2471 2.2471 2.9889 2.9889 3.3765 3.3765 3.6015 3.6015 4.3029 4.3029 5.9368 5.9368 6.1911 6.1911 6.9119 6.9119 7.0093 7.0093 9.0424 9.0424 9.7044 9.7044 k = 0.5187 0.0115-1.3860 ( 4172 PWs) bands (ev): -8.6208 -8.6208 -8.6103 -8.6103 -8.4459 -8.4459 -8.4362 -8.4362 -7.8337 -7.8337 -7.8169 -7.8169 -7.6132 -7.6132 -7.6001 -7.6001 -7.5410 -7.5410 -7.5372 -7.5372 -6.2236 -6.2236 -6.1089 -6.1089 -5.3208 -5.3208 0.0833 0.0833 0.7315 0.7315 2.2399 2.2399 3.0362 3.0362 3.3357 3.3357 3.6876 3.6876 4.2459 4.2459 6.0002 6.0002 6.2089 6.2089 6.8481 6.8481 6.9637 6.9637 9.0231 9.0231 9.7372 9.7372 k = 0.5125 0.0418-1.3860 ( 4172 PWs) bands (ev): -8.6193 -8.6193 -8.6115 -8.6115 -8.4456 -8.4456 -8.4368 -8.4368 -7.8307 -7.8307 -7.8193 -7.8193 -7.6134 -7.6134 -7.6003 -7.6003 -7.5405 -7.5405 -7.5376 -7.5376 -6.2269 -6.2269 -6.1113 -6.1113 -5.3199 -5.3199 0.0786 0.0786 0.7347 0.7347 2.2347 2.2347 3.0846 3.0846 3.2891 3.2891 3.7692 3.7692 4.1889 4.1889 6.0191 6.0191 6.2745 6.2745 6.7599 6.7599 6.9457 6.9457 9.0088 9.0088 9.7622 9.7622 k = 0.5062 0.0722-1.3860 ( 4170 PWs) bands (ev): -8.6181 -8.6181 -8.6126 -8.6126 -8.4454 -8.4454 -8.4372 -8.4372 -7.8278 -7.8278 -7.8218 -7.8218 -7.6135 -7.6135 -7.6004 -7.6004 -7.5401 -7.5401 -7.5378 -7.5378 -6.2288 -6.2288 -6.1127 -6.1127 -5.3193 -5.3193 0.0758 0.0758 0.7366 0.7366 2.2316 2.2316 3.1328 3.1328 3.2414 3.2414 3.8344 3.8344 4.1395 4.1395 6.0187 6.0187 6.3552 6.3552 6.6741 6.6741 6.9379 6.9379 9.0000 9.0000 9.7781 9.7781 k = 0.5000 0.1026-1.3860 ( 4170 PWs) bands (ev): -8.6176 -8.6176 -8.6131 -8.6131 -8.4453 -8.4453 -8.4373 -8.4373 -7.8259 -7.8259 -7.8236 -7.8236 -7.6135 -7.6135 -7.6004 -7.6004 -7.5399 -7.5399 -7.5379 -7.5379 -6.2295 -6.2295 -6.1132 -6.1132 -5.3192 -5.3192 0.0748 0.0748 0.7372 0.7372 2.2306 2.2306 3.1672 3.1672 3.2072 3.2072 3.8620 3.8620 4.1173 4.1173 6.0171 6.0171 6.3984 6.3984 6.6301 6.6301 6.9355 6.9355 8.9971 8.9971 9.7836 9.7836 k = 0.5000 0.1026-1.3860 ( 4170 PWs) bands (ev): -8.6176 -8.6176 -8.6131 -8.6131 -8.4453 -8.4453 -8.4373 -8.4373 -7.8259 -7.8259 -7.8236 -7.8236 -7.6135 -7.6135 -7.6004 -7.6004 -7.5399 -7.5399 -7.5379 -7.5379 -6.2295 -6.2295 -6.1132 -6.1132 -5.3192 -5.3192 0.0748 0.0748 0.7372 0.7372 2.2306 2.2306 3.1672 3.1672 3.2072 3.2072 3.8620 3.8620 4.1173 4.1173 6.0171 6.0171 6.3984 6.3984 6.6301 6.6301 6.9355 6.9355 8.9971 8.9971 9.7836 9.7836 k = 0.5270 0.1081-1.3759 ( 4168 PWs) bands (ev): -8.6176 -8.6176 -8.6131 -8.6131 -8.4453 -8.4453 -8.4373 -8.4373 -7.8260 -7.8260 -7.8235 -7.8235 -7.6135 -7.6135 -7.6004 -7.6004 -7.5400 -7.5400 -7.5380 -7.5380 -6.2295 -6.2295 -6.1135 -6.1135 -5.3190 -5.3190 0.0757 0.0757 0.7359 0.7359 2.2296 2.2296 3.1694 3.1694 3.2076 3.2076 3.8616 3.8616 4.1202 4.1202 6.0067 6.0067 6.3952 6.3952 6.6332 6.6332 6.9429 6.9429 9.0006 9.0006 9.7504 9.7504 k = 0.5540 0.1136-1.3657 ( 4166 PWs) bands (ev): -8.6176 -8.6176 -8.6131 -8.6131 -8.4453 -8.4453 -8.4373 -8.4373 -7.8262 -7.8262 -7.8232 -7.8232 -7.6135 -7.6135 -7.6004 -7.6004 -7.5400 -7.5400 -7.5380 -7.5380 -6.2294 -6.2294 -6.1142 -6.1142 -5.3187 -5.3187 0.0784 0.0784 0.7322 0.7322 2.2266 2.2266 3.1759 3.1759 3.2086 3.2086 3.8602 3.8602 4.1288 4.1288 5.9768 5.9768 6.3880 6.3880 6.6377 6.6377 6.9661 6.9661 9.0105 9.0105 9.6985 9.6985 k = 0.5810 0.1192-1.3556 ( 4165 PWs) bands (ev): -8.6176 -8.6176 -8.6130 -8.6130 -8.4453 -8.4453 -8.4373 -8.4373 -7.8266 -7.8266 -7.8229 -7.8229 -7.6135 -7.6135 -7.6003 -7.6003 -7.5400 -7.5400 -7.5380 -7.5380 -6.2294 -6.2294 -6.1154 -6.1154 -5.3181 -5.3181 0.0829 0.0829 0.7260 0.7260 2.2218 2.2218 3.1866 3.1866 3.2103 3.2103 3.8580 3.8580 4.1430 4.1430 5.9308 5.9308 6.3805 6.3805 6.6355 6.6355 7.0067 7.0067 9.0253 9.0253 9.6470 9.6470 k = 0.6080 0.1247-1.3455 ( 4164 PWs) bands (ev): -8.6176 -8.6176 -8.6129 -8.6129 -8.4454 -8.4454 -8.4373 -8.4373 -7.8270 -7.8270 -7.8224 -7.8224 -7.6136 -7.6136 -7.6003 -7.6003 -7.5400 -7.5400 -7.5380 -7.5380 -6.2294 -6.2294 -6.1170 -6.1170 -5.3172 -5.3172 0.0890 0.0890 0.7175 0.7175 2.2155 2.2155 3.2009 3.2009 3.2127 3.2127 3.8552 3.8552 4.1624 4.1624 5.8732 5.8732 6.3746 6.3746 6.6223 6.6223 7.0635 7.0635 9.0421 9.0421 9.6001 9.6001 k = 0.6349 0.1302-1.3353 ( 4166 PWs) bands (ev): -8.6176 -8.6176 -8.6127 -8.6127 -8.4454 -8.4454 -8.4372 -8.4372 -7.8275 -7.8275 -7.8220 -7.8220 -7.6136 -7.6136 -7.6002 -7.6002 -7.5401 -7.5401 -7.5380 -7.5380 -6.2296 -6.2296 -6.1190 -6.1190 -5.3162 -5.3162 0.0969 0.0969 0.7069 0.7069 2.2078 2.2078 3.2141 3.2141 3.2202 3.2202 3.8517 3.8517 4.1869 4.1869 5.8081 5.8081 6.3702 6.3702 6.5987 6.5987 7.1327 7.1327 9.0563 9.0563 9.5618 9.5618 k = 0.6619 0.1358-1.3252 ( 4178 PWs) bands (ev): -8.6177 -8.6177 -8.6125 -8.6125 -8.4454 -8.4454 -8.4372 -8.4372 -7.8279 -7.8279 -7.8216 -7.8216 -7.6136 -7.6136 -7.6002 -7.6002 -7.5401 -7.5401 -7.5381 -7.5381 -6.2299 -6.2299 -6.1212 -6.1212 -5.3149 -5.3149 0.1064 0.1064 0.6943 0.6943 2.1993 2.1993 3.2181 3.2181 3.2403 3.2403 3.8479 3.8479 4.2160 4.2160 5.7388 5.7388 6.3661 6.3661 6.5677 6.5677 7.2103 7.2103 9.0619 9.0619 9.5371 9.5371 k = 0.6619 0.1358-1.3252 ( 4178 PWs) bands (ev): -8.6177 -8.6177 -8.6125 -8.6125 -8.4454 -8.4454 -8.4372 -8.4372 -7.8279 -7.8279 -7.8216 -7.8216 -7.6136 -7.6136 -7.6002 -7.6002 -7.5401 -7.5401 -7.5381 -7.5381 -6.2299 -6.2299 -6.1212 -6.1212 -5.3149 -5.3149 0.1064 0.1064 0.6943 0.6943 2.1993 2.1993 3.2181 3.2181 3.2403 3.2403 3.8479 3.8479 4.2160 4.2160 5.7388 5.7388 6.3661 6.3661 6.5677 6.5677 7.2103 7.2103 9.0619 9.0619 9.5371 9.5371 k = 0.6582 0.1350-1.2937 ( 4176 PWs) bands (ev): -8.6183 -8.6183 -8.6109 -8.6109 -8.4454 -8.4454 -8.4372 -8.4372 -7.8301 -7.8301 -7.8194 -7.8194 -7.6137 -7.6137 -7.6002 -7.6002 -7.5406 -7.5406 -7.5380 -7.5380 -6.2422 -6.2422 -6.1245 -6.1245 -5.3087 -5.3087 0.1150 0.1150 0.6996 0.6996 2.2154 2.2154 3.2063 3.2063 3.2254 3.2254 3.8485 3.8485 4.2445 4.2445 5.6899 5.6899 6.3703 6.3703 6.6062 6.6062 7.2647 7.2647 9.0362 9.0362 9.5089 9.5089 k = 0.6546 0.1343-1.2622 ( 4172 PWs) bands (ev): -8.6188 -8.6188 -8.6088 -8.6088 -8.4455 -8.4455 -8.4372 -8.4372 -7.8324 -7.8324 -7.8171 -7.8171 -7.6137 -7.6137 -7.6002 -7.6002 -7.5412 -7.5412 -7.5379 -7.5379 -6.2615 -6.2615 -6.1291 -6.1291 -5.2996 -5.2996 0.1292 0.1292 0.7072 0.7072 2.2368 2.2368 3.1633 3.1633 3.2326 3.2326 3.8509 3.8509 4.2884 4.2884 5.6413 5.6413 6.3747 6.3747 6.6426 6.6426 7.3185 7.3185 9.0144 9.0144 9.4848 9.4848 k = 0.6509 0.1335-1.2307 ( 4172 PWs) bands (ev): -8.6191 -8.6191 -8.6064 -8.6064 -8.4456 -8.4456 -8.4372 -8.4372 -7.8346 -7.8346 -7.8148 -7.8148 -7.6137 -7.6137 -7.6002 -7.6002 -7.5419 -7.5419 -7.5379 -7.5379 -6.2863 -6.2863 -6.1357 -6.1357 -5.2879 -5.2879 0.1488 0.1488 0.7170 0.7170 2.2634 2.2634 3.1120 3.1120 3.2419 3.2419 3.8553 3.8553 4.3449 4.3449 5.5934 5.5934 6.3794 6.3794 6.6755 6.6755 7.3714 7.3714 8.9972 8.9972 9.4657 9.4657 k = 0.6472 0.1327-1.1992 ( 4175 PWs) bands (ev): -8.6192 -8.6192 -8.6037 -8.6037 -8.4458 -8.4458 -8.4372 -8.4372 -7.8369 -7.8369 -7.8124 -7.8124 -7.6138 -7.6138 -7.6002 -7.6002 -7.5428 -7.5428 -7.5379 -7.5379 -6.3157 -6.3157 -6.1449 -6.1449 -5.2742 -5.2742 0.1736 0.1736 0.7293 0.7293 2.2949 2.2949 3.0550 3.0550 3.2529 3.2529 3.8618 3.8618 4.4112 4.4112 5.5467 5.5467 6.3846 6.3846 6.7034 6.7034 7.4229 7.4229 8.9855 8.9855 9.4525 9.4525 k = 0.6435 0.1320-1.1677 ( 4173 PWs) bands (ev): -8.6190 -8.6190 -8.6006 -8.6006 -8.4459 -8.4459 -8.4372 -8.4372 -7.8392 -7.8392 -7.8100 -7.8100 -7.6138 -7.6138 -7.6002 -7.6002 -7.5437 -7.5437 -7.5381 -7.5381 -6.3487 -6.3487 -6.1570 -6.1570 -5.2588 -5.2588 0.2032 0.2032 0.7442 0.7442 2.3311 2.3311 2.9948 2.9948 3.2659 3.2659 3.8704 3.8704 4.4854 4.4854 5.5014 5.5014 6.3903 6.3903 6.7253 6.7253 7.4728 7.4728 8.9793 8.9793 9.4457 9.4457 k = 0.6398 0.1312-1.1362 ( 4171 PWs) bands (ev): -8.6185 -8.6185 -8.5973 -8.5973 -8.4461 -8.4461 -8.4372 -8.4372 -7.8416 -7.8416 -7.8076 -7.8076 -7.6139 -7.6139 -7.6002 -7.6002 -7.5447 -7.5447 -7.5384 -7.5384 -6.3846 -6.3846 -6.1721 -6.1721 -5.2422 -5.2422 0.2375 0.2375 0.7619 0.7619 2.3716 2.3716 2.9331 2.9331 3.2807 3.2807 3.8811 3.8811 4.5658 4.5658 5.4578 5.4578 6.3965 6.3965 6.7403 6.7403 7.5215 7.5215 8.9783 8.9783 9.4463 9.4463 k = 0.6362 0.1305-1.1047 ( 4162 PWs) bands (ev): -8.6178 -8.6178 -8.5938 -8.5938 -8.4462 -8.4462 -8.4372 -8.4372 -7.8439 -7.8439 -7.8051 -7.8051 -7.6139 -7.6139 -7.6003 -7.6003 -7.5458 -7.5458 -7.5387 -7.5387 -6.4228 -6.4228 -6.1900 -6.1900 -5.2249 -5.2249 0.2759 0.2759 0.7825 0.7825 2.4156 2.4156 2.8720 2.8720 3.2975 3.2975 3.8937 3.8937 4.6510 4.6510 5.4159 5.4159 6.4031 6.4031 6.7477 6.7477 7.5694 7.5694 8.9816 8.9816 9.4552 9.4552 k = 0.6325 0.1297-1.0732 ( 4167 PWs) bands (ev): -8.6168 -8.6168 -8.5900 -8.5900 -8.4464 -8.4464 -8.4372 -8.4372 -7.8463 -7.8463 -7.8025 -7.8025 -7.6140 -7.6140 -7.6003 -7.6003 -7.5469 -7.5469 -7.5391 -7.5391 -6.4630 -6.4630 -6.2107 -6.2107 -5.2073 -5.2073 0.3181 0.3181 0.8064 0.8064 2.4619 2.4619 2.8136 2.8136 3.3161 3.3161 3.9081 3.9081 4.7400 4.7400 5.3762 5.3762 6.4101 6.4101 6.7469 6.7469 7.6171 7.6171 8.9875 8.9875 9.4733 9.4733 k = 0.6288 0.1290-1.0417 ( 4163 PWs) bands (ev): -8.6156 -8.6156 -8.5859 -8.5859 -8.4466 -8.4466 -8.4373 -8.4373 -7.8486 -7.8486 -7.7999 -7.7999 -7.6140 -7.6140 -7.6004 -7.6004 -7.5481 -7.5481 -7.5397 -7.5397 -6.5046 -6.5046 -6.2338 -6.2338 -5.1897 -5.1897 0.3633 0.3633 0.8336 0.8336 2.5072 2.5072 2.7617 2.7617 3.3366 3.3366 3.9243 3.9243 4.8316 4.8316 5.3390 5.3390 6.4172 6.4172 6.7380 6.7380 7.6654 7.6654 8.9943 8.9943 9.5014 9.5014 k = 0.6251 0.1282-1.0102 ( 4172 PWs) bands (ev): -8.6141 -8.6141 -8.5816 -8.5816 -8.4468 -8.4468 -8.4373 -8.4373 -7.8510 -7.8510 -7.7972 -7.7972 -7.6141 -7.6141 -7.6005 -7.6005 -7.5493 -7.5493 -7.5403 -7.5403 -6.5475 -6.5475 -6.2593 -6.2593 -5.1724 -5.1724 0.4111 0.4111 0.8644 0.8644 2.5424 2.5424 2.7263 2.7263 3.3590 3.3590 3.9421 3.9421 4.9241 4.9241 5.3055 5.3055 6.4245 6.4245 6.7213 6.7213 7.7148 7.7148 9.0006 9.0006 9.5397 9.5397 k = 0.6214 0.1275-0.9787 ( 4164 PWs) bands (ev): -8.6123 -8.6123 -8.5771 -8.5771 -8.4470 -8.4470 -8.4374 -8.4374 -7.8534 -7.8534 -7.7944 -7.7944 -7.6142 -7.6142 -7.6005 -7.6005 -7.5506 -7.5506 -7.5410 -7.5410 -6.5911 -6.5911 -6.2868 -6.2868 -5.1557 -5.1557 0.4606 0.4606 0.8991 0.8991 2.5480 2.5480 2.7271 2.7271 3.3831 3.3831 3.9615 3.9615 5.0141 5.0141 5.2786 5.2786 6.4315 6.4315 6.6977 6.6977 7.7657 7.7657 9.0051 9.0051 9.5879 9.5879 k = 0.6178 0.1267-0.9472 ( 4166 PWs) bands (ev): -8.6103 -8.6103 -8.5724 -8.5724 -8.4472 -8.4472 -8.4375 -8.4375 -7.8558 -7.8558 -7.7915 -7.7915 -7.6142 -7.6142 -7.6006 -7.6006 -7.5520 -7.5520 -7.5418 -7.5418 -6.6354 -6.6354 -6.3162 -6.3162 -5.1397 -5.1397 0.5111 0.5111 0.9376 0.9376 2.5221 2.5221 2.7667 2.7667 3.4091 3.4091 3.9824 3.9824 5.0904 5.0904 5.2689 5.2689 6.4379 6.4379 6.6683 6.6683 7.8182 7.8182 9.0074 9.0074 9.6448 9.6448 k = 0.6141 0.1260-0.9157 ( 4162 PWs) bands (ev): -8.6080 -8.6080 -8.5675 -8.5675 -8.4474 -8.4474 -8.4377 -8.4377 -7.8582 -7.8582 -7.7885 -7.7885 -7.6143 -7.6143 -7.6007 -7.6007 -7.5533 -7.5533 -7.5427 -7.5427 -6.6800 -6.6800 -6.3472 -6.3472 -5.1246 -5.1246 0.5618 0.5618 0.9801 0.9801 2.4845 2.4845 2.8258 2.8258 3.4368 3.4368 4.0048 4.0048 5.1259 5.1259 5.3031 5.3031 6.4430 6.4430 6.6348 6.6348 7.8721 7.8721 9.0075 9.0075 9.7088 9.7088 k = 0.6104 0.1252-0.8842 ( 4157 PWs) bands (ev): -8.6055 -8.6055 -8.5625 -8.5625 -8.4476 -8.4476 -8.4378 -8.4378 -7.8606 -7.8606 -7.7854 -7.7854 -7.6144 -7.6144 -7.6007 -7.6007 -7.5547 -7.5547 -7.5436 -7.5436 -6.7248 -6.7248 -6.3796 -6.3796 -5.1106 -5.1106 0.6117 0.6117 1.0266 1.0266 2.4463 2.4463 2.8940 2.8940 3.4662 3.4662 4.0285 4.0285 5.1198 5.1198 5.3814 5.3814 6.4452 6.4452 6.5998 6.5998 7.9271 7.9271 9.0059 9.0059 9.7782 9.7782 k = 0.6067 0.1244-0.8527 ( 4159 PWs) bands (ev): -8.6027 -8.6027 -8.5573 -8.5573 -8.4478 -8.4478 -8.4380 -8.4380 -7.8630 -7.8630 -7.7821 -7.7821 -7.6145 -7.6145 -7.6008 -7.6008 -7.5560 -7.5560 -7.5446 -7.5446 -6.7696 -6.7696 -6.4132 -6.4132 -5.0977 -5.0977 0.6601 0.6601 1.0768 1.0768 2.4118 2.4118 2.9675 2.9675 3.4972 3.4972 4.0534 4.0534 5.0993 5.0993 5.4760 5.4760 6.4417 6.4417 6.5676 6.5676 7.9824 7.9824 9.0031 9.0031 9.8508 9.8508 k = 0.6030 0.1237-0.8212 ( 4159 PWs) bands (ev): -8.5997 -8.5997 -8.5519 -8.5519 -8.4479 -8.4479 -8.4382 -8.4382 -7.8653 -7.8653 -7.7787 -7.7787 -7.6147 -7.6147 -7.6008 -7.6008 -7.5574 -7.5574 -7.5457 -7.5457 -6.8142 -6.8142 -6.4478 -6.4478 -5.0860 -5.0860 0.7062 0.7062 1.1303 1.1303 2.3832 2.3832 3.0450 3.0450 3.5298 3.5298 4.0795 4.0795 5.0752 5.0752 5.5752 5.5752 6.4274 6.4274 6.5442 6.5442 8.0372 8.0372 9.0000 9.0000 9.9248 9.9248 k = 0.5994 0.1229-0.7896 ( 4157 PWs) bands (ev): -8.5965 -8.5965 -8.5465 -8.5465 -8.4481 -8.4481 -8.4384 -8.4384 -7.8676 -7.8676 -7.7752 -7.7752 -7.6148 -7.6148 -7.6009 -7.6009 -7.5588 -7.5588 -7.5468 -7.5468 -6.8584 -6.8584 -6.4832 -6.4832 -5.0755 -5.0755 0.7492 0.7492 1.1863 1.1863 2.3624 2.3624 3.1255 3.1255 3.5639 3.5639 4.1067 4.1067 5.0506 5.0506 5.6747 5.6747 6.4006 6.4006 6.5332 6.5332 8.0904 8.0904 8.9977 8.9977 9.9979 9.9979 k = 0.5957 0.1222-0.7581 ( 4162 PWs) bands (ev): -8.5930 -8.5930 -8.5410 -8.5410 -8.4482 -8.4482 -8.4386 -8.4386 -7.8698 -7.8698 -7.7715 -7.7715 -7.6150 -7.6150 -7.6009 -7.6009 -7.5602 -7.5602 -7.5480 -7.5480 -6.9022 -6.9022 -6.5192 -6.5192 -5.0662 -5.0662 0.7886 0.7886 1.2440 1.2440 2.3507 2.3507 3.2086 3.2086 3.5995 3.5995 4.1349 4.1349 5.0264 5.0264 5.7711 5.7711 6.3669 6.3669 6.5313 6.5313 8.1403 8.1403 8.9973 8.9973 10.0679 10.0679 k = 0.5920 0.1214-0.7266 ( 4161 PWs) bands (ev): -8.5894 -8.5894 -8.5354 -8.5354 -8.4483 -8.4483 -8.4389 -8.4389 -7.8719 -7.8719 -7.7677 -7.7677 -7.6152 -7.6152 -7.6009 -7.6009 -7.5616 -7.5616 -7.5492 -7.5492 -6.9454 -6.9454 -6.5557 -6.5557 -5.0581 -5.0581 0.8237 0.8237 1.3025 1.3025 2.3495 2.3495 3.2937 3.2937 3.6366 3.6366 4.1640 4.1640 5.0033 5.0033 5.8600 5.8600 6.3348 6.3348 6.5344 6.5344 8.1853 8.1853 9.0004 9.0004 10.1325 10.1325 k = 0.5883 0.1207-0.6951 ( 4155 PWs) bands (ev): -8.5855 -8.5855 -8.5298 -8.5298 -8.4484 -8.4484 -8.4392 -8.4392 -7.8740 -7.8740 -7.7636 -7.7636 -7.6155 -7.6155 -7.6008 -7.6008 -7.5630 -7.5630 -7.5505 -7.5505 -6.9878 -6.9878 -6.5924 -6.5924 -5.0512 -5.0512 0.8540 0.8540 1.3608 1.3608 2.3599 2.3599 3.3802 3.3802 3.6750 3.6750 4.1939 4.1939 4.9815 4.9815 5.9333 5.9333 6.3141 6.3141 6.5404 6.5404 8.2234 8.2234 9.0085 9.0085 10.1888 10.1888 k = 0.5846 0.1199-0.6636 ( 4155 PWs) bands (ev): -8.5814 -8.5814 -8.5243 -8.5243 -8.4485 -8.4485 -8.4395 -8.4395 -7.8759 -7.8759 -7.7594 -7.7594 -7.6158 -7.6158 -7.6008 -7.6008 -7.5643 -7.5643 -7.5518 -7.5518 -7.0294 -7.0294 -6.6293 -6.6293 -5.0453 -5.0453 0.8791 0.8791 1.4183 1.4183 2.3828 2.3828 3.4677 3.4677 3.7150 3.7150 4.2245 4.2245 4.9611 4.9611 5.9785 5.9785 6.3174 6.3174 6.5490 6.5490 8.2526 8.2526 9.0230 9.0230 10.2339 10.2339 k = 0.5810 0.1192-0.6321 ( 4157 PWs) bands (ev): -8.5771 -8.5771 -8.5187 -8.5187 -8.4485 -8.4485 -8.4398 -8.4398 -7.8777 -7.8777 -7.7550 -7.7550 -7.6162 -7.6162 -7.6007 -7.6007 -7.5657 -7.5657 -7.5531 -7.5531 -7.0700 -7.0700 -6.6661 -6.6661 -5.0405 -5.0405 0.8986 0.8986 1.4746 1.4746 2.4184 2.4184 3.5552 3.5552 3.7567 3.7567 4.2558 4.2558 4.9424 4.9424 5.9878 5.9878 6.3506 6.3506 6.5618 6.5618 8.2714 8.2714 9.0444 9.0444 10.2651 10.2651 k = 0.5773 0.1184-0.6006 ( 4161 PWs) bands (ev): -8.5726 -8.5726 -8.5133 -8.5133 -8.4485 -8.4485 -8.4402 -8.4402 -7.8793 -7.8793 -7.7504 -7.7504 -7.6166 -7.6166 -7.6006 -7.6006 -7.5670 -7.5670 -7.5544 -7.5544 -7.1096 -7.1096 -6.7027 -6.7027 -5.0367 -5.0367 0.9125 0.9125 1.5295 1.5295 2.4666 2.4666 3.6416 3.6416 3.8006 3.8006 4.2876 4.2876 4.9254 4.9254 5.9697 5.9697 6.4002 6.4002 6.5834 6.5834 8.2792 8.2792 9.0726 9.0726 10.2800 10.2800 k = 0.5736 0.1177-0.5691 ( 4153 PWs) bands (ev): -8.5679 -8.5679 -8.5080 -8.5080 -8.4485 -8.4485 -8.4405 -8.4405 -7.8808 -7.8808 -7.7456 -7.7456 -7.6171 -7.6171 -7.6005 -7.6005 -7.5683 -7.5683 -7.5558 -7.5558 -7.1481 -7.1481 -6.7390 -6.7390 -5.0338 -5.0338 0.9209 0.9209 1.5832 1.5832 2.5264 2.5264 3.7247 3.7247 3.8481 3.8481 4.3199 4.3199 4.9104 4.9104 5.9377 5.9377 6.4449 6.4449 6.6213 6.6213 8.2762 8.2762 9.1058 9.1058 10.2788 10.2788 k = 0.5699 0.1169-0.5376 ( 4150 PWs) bands (ev): -8.5630 -8.5630 -8.5029 -8.5029 -8.4484 -8.4484 -8.4408 -8.4408 -7.8820 -7.8820 -7.7405 -7.7405 -7.6177 -7.6177 -7.6003 -7.6003 -7.5696 -7.5696 -7.5572 -7.5572 -7.1854 -7.1854 -6.7749 -6.7749 -5.0317 -5.0317 0.9242 0.9242 1.6360 1.6360 2.5969 2.5969 3.8009 3.8009 3.9016 3.9016 4.3528 4.3528 4.8976 4.8976 5.9000 5.9000 6.4727 6.4727 6.6785 6.6785 8.2634 8.2634 9.1411 9.1411 10.2647 10.2647 k = 0.5662 0.1161-0.5061 ( 4152 PWs) bands (ev): -8.5580 -8.5580 -8.4980 -8.4980 -8.4484 -8.4484 -8.4412 -8.4412 -7.8830 -7.8830 -7.7353 -7.7353 -7.6184 -7.6184 -7.6001 -7.6001 -7.5709 -7.5709 -7.5585 -7.5585 -7.2214 -7.2214 -6.8102 -6.8102 -5.0304 -5.0304 0.9229 0.9229 1.6881 1.6881 2.6764 2.6764 3.8662 3.8662 3.9640 3.9640 4.3862 4.3862 4.8873 4.8873 5.8610 5.8610 6.4865 6.4865 6.7472 6.7472 8.2425 8.2425 9.1746 9.1746 10.2438 10.2438 k = 0.5626 0.1154-0.4746 ( 4156 PWs) bands (ev): -8.5529 -8.5529 -8.4933 -8.4933 -8.4483 -8.4483 -8.4415 -8.4415 -7.8838 -7.8838 -7.7299 -7.7299 -7.6192 -7.6192 -7.5999 -7.5999 -7.5721 -7.5721 -7.5599 -7.5599 -7.2560 -7.2560 -6.8448 -6.8448 -5.0297 -5.0297 0.9178 0.9178 1.7397 1.7397 2.7636 2.7636 3.9207 3.9207 4.0335 4.0335 4.4201 4.4201 4.8799 4.8799 5.8234 5.8234 6.4922 6.4922 6.8180 6.8180 8.2150 8.2150 9.2020 9.2020 10.2236 10.2236 k = 0.5589 0.1146-0.4431 ( 4165 PWs) bands (ev): -8.5476 -8.5476 -8.4889 -8.4889 -8.4483 -8.4483 -8.4417 -8.4417 -7.8842 -7.8842 -7.7243 -7.7243 -7.6200 -7.6200 -7.5997 -7.5997 -7.5734 -7.5734 -7.5613 -7.5613 -7.2891 -7.2891 -6.8786 -6.8786 -5.0296 -5.0296 0.9096 0.9096 1.7910 1.7910 2.8571 2.8571 3.9685 3.9685 4.1045 4.1045 4.4544 4.4544 4.8759 4.8759 5.7889 5.7889 6.4932 6.4932 6.8851 6.8851 8.1825 8.1825 9.2193 9.2193 10.2111 10.2111 k = 0.5552 0.1139-0.4116 ( 4163 PWs) bands (ev): -8.5422 -8.5422 -8.4849 -8.4849 -8.4483 -8.4483 -8.4419 -8.4419 -7.8843 -7.8843 -7.7185 -7.7185 -7.6210 -7.6210 -7.5995 -7.5995 -7.5747 -7.5747 -7.5627 -7.5627 -7.3205 -7.3205 -6.9115 -6.9115 -5.0299 -5.0299 0.8990 0.8990 1.8417 1.8417 2.9555 2.9555 4.0124 4.0124 4.1721 4.1721 4.4890 4.4890 4.8756 4.8756 5.7593 5.7593 6.4913 6.4913 6.9444 6.9444 8.1461 8.1461 9.2244 9.2244 10.2111 10.2111 k = 0.5515 0.1131-0.3801 ( 4156 PWs) bands (ev): -8.5366 -8.5366 -8.4812 -8.4812 -8.4483 -8.4483 -8.4421 -8.4421 -7.8841 -7.8841 -7.7126 -7.7126 -7.6222 -7.6222 -7.5992 -7.5992 -7.5760 -7.5760 -7.5641 -7.5641 -7.3503 -7.3503 -6.9433 -6.9433 -5.0307 -5.0307 0.8867 0.8867 1.8918 1.8918 3.0576 3.0576 4.0537 4.0537 4.2335 4.2335 4.5231 4.5231 4.8793 4.8793 5.7364 5.7364 6.4873 6.4873 6.9932 6.9932 8.1066 8.1066 9.2177 9.2177 10.2243 10.2243 k = 0.5478 0.1124-0.3486 ( 4160 PWs) bands (ev): -8.5310 -8.5310 -8.4778 -8.4778 -8.4484 -8.4484 -8.4422 -8.4422 -7.8836 -7.8836 -7.7066 -7.7066 -7.6235 -7.6235 -7.5990 -7.5990 -7.5773 -7.5773 -7.5655 -7.5655 -7.3783 -7.3783 -6.9739 -6.9739 -5.0318 -5.0318 0.8733 0.8733 1.9408 1.9408 3.1623 3.1623 4.0928 4.0928 4.2872 4.2872 4.5558 4.5558 4.8869 4.8869 5.7222 5.7222 6.4818 6.4818 7.0295 7.0295 8.0641 8.0641 9.2027 9.2027 10.2474 10.2474 k = 0.5442 0.1116-0.3171 ( 4162 PWs) bands (ev): -8.5254 -8.5254 -8.4748 -8.4748 -8.4486 -8.4486 -8.4423 -8.4423 -7.8826 -7.8826 -7.7006 -7.7006 -7.6250 -7.6250 -7.5987 -7.5987 -7.5786 -7.5786 -7.5668 -7.5668 -7.4042 -7.4042 -7.0033 -7.0033 -5.0331 -5.0331 0.8594 0.8594 1.9885 1.9885 3.2687 3.2687 4.1294 4.1294 4.3330 4.3330 4.5856 4.5856 4.8973 4.8973 5.7187 5.7187 6.4751 6.4751 7.0521 7.0521 8.0177 8.0177 9.1845 9.1845 10.2729 10.2729 k = 0.5405 0.1109-0.2856 ( 4164 PWs) bands (ev): -8.5197 -8.5197 -8.4722 -8.4722 -8.4489 -8.4489 -8.4424 -8.4424 -7.8813 -7.8813 -7.6948 -7.6948 -7.6266 -7.6266 -7.5984 -7.5984 -7.5800 -7.5800 -7.5682 -7.5682 -7.4281 -7.4281 -7.0313 -7.0313 -5.0346 -5.0346 0.8454 0.8454 2.0345 2.0345 3.3756 3.3756 4.1635 4.1635 4.3715 4.3715 4.6113 4.6113 4.9084 4.9084 5.7281 5.7281 6.4677 6.4677 7.0610 7.0610 7.9662 7.9662 9.1687 9.1687 10.2918 10.2918 k = 0.5368 0.1101-0.2541 ( 4164 PWs) bands (ev): -8.5139 -8.5139 -8.4700 -8.4700 -8.4492 -8.4492 -8.4426 -8.4426 -7.8796 -7.8796 -7.6892 -7.6892 -7.6283 -7.6283 -7.5981 -7.5981 -7.5815 -7.5815 -7.5696 -7.5696 -7.4496 -7.4496 -7.0577 -7.0577 -5.0362 -5.0362 0.8316 0.8316 2.0784 2.0784 3.4821 3.4821 4.1947 4.1947 4.4040 4.4040 4.6326 4.6326 4.9173 4.9173 5.7516 5.7516 6.4600 6.4600 7.0570 7.0570 7.9079 7.9079 9.1596 9.1596 10.2975 10.2975 k = 0.5331 0.1093-0.2226 ( 4168 PWs) bands (ev): -8.5082 -8.5082 -8.4680 -8.4680 -8.4497 -8.4497 -8.4429 -8.4429 -7.8775 -7.8775 -7.6843 -7.6843 -7.6299 -7.6299 -7.5977 -7.5977 -7.5831 -7.5831 -7.5710 -7.5710 -7.4688 -7.4688 -7.0824 -7.0824 -5.0379 -5.0379 0.8184 0.8184 2.1198 2.1198 3.5871 3.5871 4.2228 4.2228 4.4318 4.4318 4.6495 4.6495 4.9217 4.9217 5.7895 5.7895 6.4527 6.4527 7.0422 7.0422 7.8418 7.8418 9.1598 9.1598 10.2894 10.2894 k = 0.5294 0.1086-0.1911 ( 4168 PWs) bands (ev): -8.5026 -8.5026 -8.4663 -8.4663 -8.4501 -8.4501 -8.4435 -8.4435 -7.8751 -7.8751 -7.6804 -7.6804 -7.6313 -7.6313 -7.5974 -7.5974 -7.5847 -7.5847 -7.5725 -7.5725 -7.4853 -7.4853 -7.1052 -7.1052 -5.0395 -5.0395 0.8060 0.8060 2.1582 2.1582 3.6894 3.6894 4.2479 4.2479 4.4562 4.4562 4.6622 4.6622 4.9201 4.9201 5.8405 5.8405 6.4464 6.4464 7.0190 7.0190 7.7673 7.7673 9.1697 9.1697 10.2716 10.2716 k = 0.5258 0.1078-0.1596 ( 4172 PWs) bands (ev): -8.4970 -8.4970 -8.4649 -8.4649 -8.4506 -8.4506 -8.4443 -8.4443 -7.8725 -7.8725 -7.6779 -7.6779 -7.6318 -7.6318 -7.5971 -7.5971 -7.5864 -7.5864 -7.5740 -7.5740 -7.4992 -7.4992 -7.1260 -7.1260 -5.0411 -5.0411 0.7947 0.7947 2.1933 2.1933 3.7876 3.7876 4.2704 4.2704 4.4779 4.4779 4.6707 4.6707 4.9126 4.9126 5.9016 5.9016 6.4421 6.4421 6.9903 6.9903 7.6853 7.6853 9.1882 9.1882 10.2488 10.2488 k = 0.5221 0.1071-0.1281 ( 4176 PWs) bands (ev): -8.4916 -8.4916 -8.4636 -8.4636 -8.4511 -8.4511 -8.4455 -8.4455 -7.8698 -7.8698 -7.6774 -7.6774 -7.6311 -7.6311 -7.5967 -7.5967 -7.5881 -7.5881 -7.5754 -7.5754 -7.5105 -7.5105 -7.1446 -7.1446 -5.0425 -5.0425 0.7845 0.7845 2.2247 2.2247 3.8798 3.8798 4.2913 4.2913 4.4974 4.4974 4.6744 4.6744 4.9004 4.9004 5.9686 5.9686 6.4415 6.4415 6.9591 6.9591 7.5975 7.5975 9.2130 9.2130 10.2248 10.2248 k = 0.5184 0.1063-0.0966 ( 4174 PWs) bands (ev): -8.4864 -8.4864 -8.4626 -8.4626 -8.4516 -8.4516 -8.4469 -8.4469 -7.8670 -7.8670 -7.6787 -7.6787 -7.6292 -7.6292 -7.5963 -7.5963 -7.5898 -7.5898 -7.5769 -7.5769 -7.5194 -7.5194 -7.1608 -7.1608 -5.0438 -5.0438 0.7758 0.7758 2.2520 2.2520 3.9636 3.9636 4.3124 4.3124 4.5147 4.5147 4.6725 4.6725 4.8855 4.8855 6.0363 6.0363 6.4466 6.4466 6.9279 6.9279 7.5062 7.5062 9.2410 9.2410 10.2017 10.2017 k = 0.5147 0.1056-0.0651 ( 4171 PWs) bands (ev): -8.4813 -8.4813 -8.4618 -8.4618 -8.4520 -8.4520 -8.4487 -8.4487 -7.8643 -7.8643 -7.6812 -7.6812 -7.6265 -7.6265 -7.5960 -7.5960 -7.5914 -7.5914 -7.5784 -7.5784 -7.5262 -7.5262 -7.1744 -7.1744 -5.0450 -5.0450 0.7684 0.7684 2.2748 2.2748 4.0357 4.0357 4.3362 4.3362 4.5296 4.5296 4.6637 4.6637 4.8705 4.8705 6.0982 6.0982 6.4601 6.4601 6.8995 6.8995 7.4148 7.4148 9.2693 9.2693 10.1812 10.1812 k = 0.5110 0.1048-0.0336 ( 4167 PWs) bands (ev): -8.4766 -8.4766 -8.4612 -8.4612 -8.4526 -8.4526 -8.4506 -8.4506 -7.8619 -7.8619 -7.6842 -7.6842 -7.6234 -7.6234 -7.5959 -7.5959 -7.5926 -7.5926 -7.5798 -7.5798 -7.5310 -7.5310 -7.1853 -7.1853 -5.0459 -5.0459 0.7627 0.7627 2.2929 2.2929 4.0924 4.0924 4.3652 4.3652 4.5417 4.5417 4.6470 4.6470 4.8575 4.8575 6.1479 6.1479 6.4837 6.4837 6.8759 6.8759 7.3279 7.3279 9.2949 9.2949 10.1642 10.1642 k = 0.5074 0.1041-0.0021 ( 4168 PWs) bands (ev): -8.4723 -8.4723 -8.4610 -8.4610 -8.4537 -8.4537 -8.4521 -8.4521 -7.8601 -7.8601 -7.6869 -7.6869 -7.6206 -7.6206 -7.5961 -7.5961 -7.5932 -7.5932 -7.5810 -7.5810 -7.5343 -7.5343 -7.1931 -7.1931 -5.0465 -5.0465 0.7585 0.7585 2.3060 2.3060 4.1313 4.1313 4.3993 4.3993 4.5505 4.5505 4.6237 4.6237 4.8481 4.8481 6.1816 6.1816 6.5144 6.5144 6.8590 6.8590 7.2525 7.2525 9.3153 9.3153 10.1517 10.1517 k = 0.5037 0.1033 0.0294 ( 4168 PWs) bands (ev): -8.4688 -8.4688 -8.4612 -8.4612 -8.4552 -8.4552 -8.4526 -8.4526 -7.8589 -7.8589 -7.6888 -7.6888 -7.6186 -7.6186 -7.5966 -7.5966 -7.5934 -7.5934 -7.5818 -7.5818 -7.5361 -7.5361 -7.1979 -7.1979 -5.0469 -5.0469 0.7560 0.7560 2.3139 2.3139 4.1530 4.1530 4.4321 4.4321 4.5555 4.5555 4.5991 4.5991 4.8427 4.8427 6.2001 6.2001 6.5419 6.5419 6.8495 6.8495 7.1986 7.1986 9.3283 9.3283 10.1439 10.1439 k = 0.5000 0.1026 0.0609 ( 4172 PWs) bands (ev): -8.4672 -8.4672 -8.4617 -8.4617 -8.4559 -8.4559 -8.4527 -8.4527 -7.8584 -7.8584 -7.6895 -7.6895 -7.6179 -7.6179 -7.5968 -7.5968 -7.5934 -7.5934 -7.5821 -7.5821 -7.5367 -7.5367 -7.1995 -7.1995 -5.0470 -5.0470 0.7551 0.7551 2.3165 2.3165 4.1599 4.1599 4.4475 4.4475 4.5567 4.5567 4.5873 4.5873 4.8410 4.8410 6.2058 6.2058 6.5532 6.5532 6.8466 6.8466 7.1786 7.1786 9.3328 9.3328 10.1413 10.1413 k = 0.5000-1.1676-0.6930 ( 4164 PWs) bands (ev): -8.6164 -8.6164 -8.6141 -8.6141 -8.4455 -8.4455 -8.4371 -8.4371 -7.8258 -7.8258 -7.8239 -7.8239 -7.6138 -7.6138 -7.5998 -7.5998 -7.5397 -7.5397 -7.5387 -7.5387 -6.2137 -6.2137 -6.1320 -6.1320 -5.3152 -5.3152 0.2349 0.2349 0.5078 0.5078 2.0827 2.0827 3.2441 3.2441 3.5272 3.5272 3.8240 3.8240 4.5214 4.5214 5.5349 5.5349 5.6684 5.6684 6.4389 6.4389 7.9150 7.9150 8.6258 8.6258 9.9865 9.9865 k = 0.5294-1.1583-0.6875 ( 4170 PWs) bands (ev): -8.6165 -8.6165 -8.6141 -8.6141 -8.4455 -8.4455 -8.4371 -8.4371 -7.8258 -7.8258 -7.8238 -7.8238 -7.6138 -7.6138 -7.5998 -7.5998 -7.5397 -7.5397 -7.5387 -7.5387 -6.2138 -6.2138 -6.1319 -6.1319 -5.3152 -5.3152 0.2323 0.2323 0.5110 0.5110 2.0839 2.0839 3.2437 3.2437 3.5240 3.5240 3.8239 3.8239 4.5174 4.5174 5.5184 5.5184 5.6973 5.6973 6.4385 6.4385 7.9024 7.9024 8.6370 8.6370 9.9790 9.9790 k = 0.5589-1.1489-0.6819 ( 4165 PWs) bands (ev): -8.6165 -8.6165 -8.6141 -8.6141 -8.4455 -8.4455 -8.4371 -8.4371 -7.8259 -7.8259 -7.8237 -7.8237 -7.6138 -7.6138 -7.5998 -7.5998 -7.5397 -7.5397 -7.5387 -7.5387 -6.2143 -6.2143 -6.1315 -6.1315 -5.3152 -5.3152 0.2250 0.2250 0.5203 0.5203 2.0876 2.0876 3.2427 3.2427 3.5143 3.5143 3.8237 3.8237 4.5054 4.5054 5.4915 5.4915 5.7609 5.7609 6.4374 6.4374 7.8671 7.8671 8.6684 8.6684 9.9570 9.9570 k = 0.5883-1.1396-0.6764 ( 4166 PWs) bands (ev): -8.6166 -8.6166 -8.6140 -8.6140 -8.4455 -8.4455 -8.4371 -8.4371 -7.8261 -7.8261 -7.8236 -7.8236 -7.6138 -7.6138 -7.5998 -7.5998 -7.5398 -7.5398 -7.5386 -7.5386 -6.2151 -6.2151 -6.1309 -6.1309 -5.3152 -5.3152 0.2139 0.2139 0.5346 0.5346 2.0937 2.0937 3.2410 3.2410 3.4983 3.4983 3.8238 3.8238 4.4858 4.4858 5.4730 5.4730 5.8393 5.8393 6.4356 6.4356 7.8143 7.8143 8.7145 8.7145 9.9214 9.9214 k = 0.6178-1.1303-0.6709 ( 4167 PWs) bands (ev): -8.6167 -8.6167 -8.6139 -8.6139 -8.4454 -8.4454 -8.4371 -8.4371 -7.8263 -7.8263 -7.8234 -7.8234 -7.6138 -7.6138 -7.5998 -7.5998 -7.5398 -7.5398 -7.5386 -7.5386 -6.2162 -6.2162 -6.1301 -6.1301 -5.3152 -5.3152 0.2004 0.2004 0.5524 0.5524 2.1020 2.1020 3.2387 3.2387 3.4766 3.4766 3.8244 3.8244 4.4593 4.4593 5.4679 5.4679 5.9256 5.9256 6.4335 6.4335 7.7493 7.7493 8.7698 8.7698 9.8741 9.8741 k = 0.6472-1.1210-0.6653 ( 4168 PWs) bands (ev): -8.6168 -8.6168 -8.6137 -8.6137 -8.4454 -8.4454 -8.4371 -8.4371 -7.8265 -7.8265 -7.8231 -7.8231 -7.6137 -7.6137 -7.5999 -7.5999 -7.5398 -7.5398 -7.5385 -7.5385 -6.2176 -6.2176 -6.1291 -6.1291 -5.3152 -5.3152 0.1856 0.1856 0.5725 0.5725 2.1124 2.1124 3.2361 3.2361 3.4497 3.4497 3.8258 3.8258 4.4271 4.4271 5.4769 5.4769 6.0159 6.0159 6.4315 6.4315 7.6764 7.6764 8.8297 8.8297 9.8172 9.8172 k = 0.6766-1.1116-0.6598 ( 4167 PWs) bands (ev): -8.6169 -8.6169 -8.6136 -8.6136 -8.4454 -8.4454 -8.4371 -8.4371 -7.8267 -7.8267 -7.8229 -7.8229 -7.6137 -7.6137 -7.5999 -7.5999 -7.5399 -7.5399 -7.5384 -7.5384 -6.2192 -6.2192 -6.1280 -6.1280 -5.3152 -5.3152 0.1703 0.1703 0.5940 0.5940 2.1246 2.1246 3.2331 3.2331 3.4186 3.4186 3.8280 3.8280 4.3911 4.3911 5.4988 5.4988 6.1071 6.1071 6.4304 6.4304 7.5989 7.5989 8.8904 8.8904 9.7540 9.7540 k = 0.7061-1.1023-0.6543 ( 4166 PWs) bands (ev): -8.6170 -8.6170 -8.6134 -8.6134 -8.4454 -8.4454 -8.4372 -8.4372 -7.8269 -7.8269 -7.8226 -7.8226 -7.6137 -7.6137 -7.6000 -7.6000 -7.5399 -7.5399 -7.5384 -7.5384 -6.2210 -6.2210 -6.1267 -6.1267 -5.3152 -5.3152 0.1553 0.1553 0.6158 0.6158 2.1384 2.1384 3.2299 3.2299 3.3843 3.3843 3.8311 3.8311 4.3532 4.3532 5.5321 5.5321 6.1950 6.1950 6.4322 6.4322 7.5189 7.5189 8.9485 8.9485 9.6886 9.6886 k = 0.7355-1.0930-0.6487 ( 4168 PWs) bands (ev): -8.6172 -8.6172 -8.6132 -8.6132 -8.4454 -8.4454 -8.4372 -8.4372 -7.8272 -7.8272 -7.8224 -7.8224 -7.6137 -7.6137 -7.6000 -7.6000 -7.5400 -7.5400 -7.5383 -7.5383 -6.2230 -6.2230 -6.1254 -6.1254 -5.3152 -5.3152 0.1411 0.1411 0.6373 0.6373 2.1532 2.1532 3.2266 3.2266 3.3480 3.3480 3.8348 3.8348 4.3152 4.3152 5.5747 5.5747 6.2729 6.2729 6.4413 6.4413 7.4383 7.4383 8.9999 8.9999 9.6264 9.6264 k = 0.7650-1.0837-0.6432 ( 4166 PWs) bands (ev): -8.6173 -8.6173 -8.6130 -8.6130 -8.4454 -8.4454 -8.4372 -8.4372 -7.8274 -7.8274 -7.8221 -7.8221 -7.6137 -7.6137 -7.6001 -7.6001 -7.5400 -7.5400 -7.5382 -7.5382 -6.2252 -6.2252 -6.1240 -6.1240 -5.3151 -5.3151 0.1281 0.1281 0.6579 0.6579 2.1687 2.1687 3.2235 3.2235 3.3111 3.3111 3.8390 3.8390 4.2788 4.2788 5.6247 5.6247 6.3288 6.3288 6.4675 6.4675 7.3589 7.3589 9.0395 9.0395 9.5749 9.5749 k = 0.7944-1.0744-0.6377 ( 4165 PWs) bands (ev): -8.6175 -8.6175 -8.6128 -8.6128 -8.4454 -8.4454 -8.4372 -8.4372 -7.8277 -7.8277 -7.8218 -7.8218 -7.6136 -7.6136 -7.6001 -7.6001 -7.5401 -7.5401 -7.5381 -7.5381 -6.2275 -6.2275 -6.1226 -6.1226 -5.3150 -5.3150 0.1164 0.1164 0.6770 0.6770 2.1843 2.1843 3.2206 3.2206 3.2748 3.2748 3.8435 3.8435 4.2454 4.2454 5.6800 5.6800 6.3558 6.3558 6.5147 6.5147 7.2823 7.2823 9.0612 9.0612 9.5430 9.5430 k = 0.8239-1.0650-0.6321 ( 4178 PWs) bands (ev): -8.6177 -8.6177 -8.6125 -8.6125 -8.4454 -8.4454 -8.4372 -8.4372 -7.8279 -7.8279 -7.8216 -7.8216 -7.6136 -7.6136 -7.6002 -7.6002 -7.5401 -7.5401 -7.5381 -7.5381 -6.2299 -6.2299 -6.1212 -6.1212 -5.3149 -5.3149 0.1064 0.1064 0.6943 0.6943 2.1993 2.1993 3.2181 3.2181 3.2403 3.2403 3.8479 3.8479 4.2160 4.2160 5.7388 5.7388 6.3661 6.3661 6.5677 6.5677 7.2103 7.2103 9.0619 9.0619 9.5371 9.5371 Writing output data file In2Se3.save init_run : 0.55s CPU 0.69s WALL ( 1 calls) electrons : 318.26s CPU 320.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 318.26s CPU 320.71s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 291 calls) cegterg : 286.48s CPU 288.43s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 262.01s CPU 263.58s WALL ( 6640 calls) s_psi : 2.65s CPU 2.88s WALL ( 6640 calls) g_psi : 0.18s CPU 0.19s WALL ( 5959 calls) cdiaghg : 38.57s CPU 38.93s WALL ( 6250 calls) cegterg:over : 4.82s CPU 4.63s WALL ( 5959 calls) cegterg:upda : 3.92s CPU 4.19s WALL ( 5959 calls) cegterg:last : 2.17s CPU 2.15s WALL ( 972 calls) cdiaghg:chol : 2.38s CPU 2.24s WALL ( 6250 calls) cdiaghg:inve : 1.46s CPU 1.43s WALL ( 6250 calls) cdiaghg:para : 2.08s CPU 2.22s WALL ( 12500 calls) Called by h_psi: h_psi:vloc : 254.38s CPU 256.20s WALL ( 6640 calls) h_psi:vnl : 7.45s CPU 7.19s WALL ( 6640 calls) add_vuspsi : 3.59s CPU 3.44s WALL ( 6640 calls) General routines calbec : 3.84s CPU 3.73s WALL ( 6640 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 237.89s CPU 239.64s WALL ( 628776 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 0.21s WALL ( 582 calls) Parallel routines fft_scatter : 43.06s CPU 43.60s WALL ( 628799 calls) PWSCF : 5m32.44s CPU 5m52.57s WALL This run was terminated on: 19:35:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=