Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 1:49 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: ./MgCl2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 65 39 11 1579 738 116 Max 66 40 12 1581 760 120 Sum 2355 1435 413 56871 27073 4247 bravais-lattice index = 14 lattice parameter (alat) = 11.7536 a.u. unit-cell volume = 443.0843 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.753606 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.832866 celldm(5)= 0.832866 celldm(6)= 0.832866 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.832866 0.553475 0.000000 ) a(3) = ( 0.832866 0.251502 0.493032 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.504795 -0.921657 ) b(2) = ( 0.000000 1.806767 -0.921657 ) b(3) = ( 0.000000 0.000000 2.028265 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Cl 7.00 35.45300 Cl( 1.00) Mg 10.00 24.30500 Mg( 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= 342 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0096154 -0.0144692 -0.0088621), wk = 0.0029240 k( 3) = ( 0.0192308 -0.0289384 -0.0177242), wk = 0.0029240 k( 4) = ( 0.0288462 -0.0434075 -0.0265862), wk = 0.0029240 k( 5) = ( 0.0384615 -0.0578767 -0.0354483), wk = 0.0029240 k( 6) = ( 0.0480769 -0.0723459 -0.0443104), wk = 0.0029240 k( 7) = ( 0.0576923 -0.0868151 -0.0531725), wk = 0.0029240 k( 8) = ( 0.0673077 -0.1012843 -0.0620346), wk = 0.0029240 k( 9) = ( 0.0769231 -0.1157535 -0.0708967), wk = 0.0029240 k( 10) = ( 0.0865385 -0.1302227 -0.0797587), wk = 0.0029240 k( 11) = ( 0.0961538 -0.1446918 -0.0886208), wk = 0.0029240 k( 12) = ( 0.1057692 -0.1591610 -0.0974829), wk = 0.0029240 k( 13) = ( 0.1153846 -0.1736302 -0.1063450), wk = 0.0029240 k( 14) = ( 0.1250000 -0.1880994 -0.1152071), wk = 0.0029240 k( 15) = ( 0.1346154 -0.2025686 -0.1240692), wk = 0.0029240 k( 16) = ( 0.1442308 -0.2170378 -0.1329312), wk = 0.0029240 k( 17) = ( 0.1538461 -0.2315069 -0.1417933), wk = 0.0029240 k( 18) = ( 0.1634615 -0.2459761 -0.1506554), wk = 0.0029240 k( 19) = ( 0.1730769 -0.2604453 -0.1595175), wk = 0.0029240 k( 20) = ( 0.1826923 -0.2749145 -0.1683796), wk = 0.0029240 k( 21) = ( 0.1923077 -0.2893837 -0.1772416), wk = 0.0029240 k( 22) = ( 0.2019231 -0.3038529 -0.1861037), wk = 0.0029240 k( 23) = ( 0.2115385 -0.3183220 -0.1949658), wk = 0.0029240 k( 24) = ( 0.2211539 -0.3327912 -0.2038279), wk = 0.0029240 k( 25) = ( 0.2307692 -0.3472604 -0.2126900), wk = 0.0029240 k( 26) = ( 0.2403846 -0.3617296 -0.2215521), wk = 0.0029240 k( 27) = ( 0.2500000 -0.3761988 -0.2304141), wk = 0.0029240 k( 28) = ( 0.2596154 -0.3906680 -0.2392762), wk = 0.0029240 k( 29) = ( 0.2692308 -0.4051371 -0.2481383), wk = 0.0029240 k( 30) = ( 0.2788462 -0.4196063 -0.2570004), wk = 0.0029240 k( 31) = ( 0.2884615 -0.4340755 -0.2658625), wk = 0.0029240 k( 32) = ( 0.2980769 -0.4485447 -0.2747246), wk = 0.0029240 k( 33) = ( 0.3076923 -0.4630139 -0.2835866), wk = 0.0029240 k( 34) = ( 0.3173077 -0.4774831 -0.2924487), wk = 0.0029240 k( 35) = ( 0.3269231 -0.4919522 -0.3013108), wk = 0.0029240 k( 36) = ( 0.3365385 -0.5064214 -0.3101729), wk = 0.0029240 k( 37) = ( 0.3461538 -0.5208906 -0.3190350), wk = 0.0029240 k( 38) = ( 0.3557692 -0.5353598 -0.3278971), wk = 0.0029240 k( 39) = ( 0.3653846 -0.5498290 -0.3367591), wk = 0.0029240 k( 40) = ( 0.3750000 -0.5642982 -0.3456212), wk = 0.0029240 k( 41) = ( 0.3846154 -0.5787673 -0.3544833), wk = 0.0029240 k( 42) = ( 0.3942308 -0.5932365 -0.3633454), wk = 0.0029240 k( 43) = ( 0.4038462 -0.6077057 -0.3722075), wk = 0.0029240 k( 44) = ( 0.4134615 -0.6221749 -0.3810695), wk = 0.0029240 k( 45) = ( 0.4230769 -0.6366441 -0.3899316), wk = 0.0029240 k( 46) = ( 0.4326923 -0.6511133 -0.3987937), wk = 0.0029240 k( 47) = ( 0.4423077 -0.6655824 -0.4076558), wk = 0.0029240 k( 48) = ( 0.4519231 -0.6800516 -0.4165179), wk = 0.0029240 k( 49) = ( 0.4615385 -0.6945208 -0.4253800), wk = 0.0029240 k( 50) = ( 0.4711538 -0.7089900 -0.4342420), wk = 0.0029240 k( 51) = ( 0.4807692 -0.7234592 -0.4431041), wk = 0.0029240 k( 52) = ( 0.4903846 -0.7379284 -0.4519662), wk = 0.0029240 k( 53) = ( 0.5000000 -0.7523976 -0.4608283), wk = 0.0029240 k( 54) = ( 0.5000000 -0.7523976 -0.4608283), wk = 0.0029240 k( 55) = ( 0.5000000 -0.7421282 -0.4775951), wk = 0.0029240 k( 56) = ( 0.5000000 -0.7318589 -0.4943619), wk = 0.0029240 k( 57) = ( 0.5000000 -0.7215896 -0.5111287), wk = 0.0029240 k( 58) = ( 0.5000000 -0.7113203 -0.5278955), wk = 0.0029240 k( 59) = ( 0.5000000 -0.7010509 -0.5446623), wk = 0.0029240 k( 60) = ( 0.5000000 -0.6907816 -0.5614291), wk = 0.0029240 k( 61) = ( 0.5000000 -0.6805123 -0.5781958), wk = 0.0029240 k( 62) = ( 0.5000000 -0.6702430 -0.5949626), wk = 0.0029240 k( 63) = ( 0.5000000 -0.6599736 -0.6117294), wk = 0.0029240 k( 64) = ( 0.5000000 -0.6497043 -0.6284962), wk = 0.0029240 k( 65) = ( 0.5000000 -0.6394350 -0.6452630), wk = 0.0029240 k( 66) = ( 0.5000000 -0.6291657 -0.6620298), wk = 0.0029240 k( 67) = ( 0.5000000 -0.6188964 -0.6787966), wk = 0.0029240 k( 68) = ( 0.5000000 -0.6086270 -0.6955634), wk = 0.0029240 k( 69) = ( 0.5000000 -0.5983577 -0.7123302), wk = 0.0029240 k( 70) = ( 0.5000000 -0.5880884 -0.7290970), wk = 0.0029240 k( 71) = ( 0.5000000 -0.5778191 -0.7458638), wk = 0.0029240 k( 72) = ( 0.5000000 -0.5675497 -0.7626306), wk = 0.0029240 k( 73) = ( 0.5000000 -0.5572804 -0.7793974), wk = 0.0029240 k( 74) = ( 0.5000000 -0.5470111 -0.7961642), wk = 0.0029240 k( 75) = ( 0.5000000 -0.5367418 -0.8129310), wk = 0.0029240 k( 76) = ( 0.5000000 -0.5264724 -0.8296978), wk = 0.0029240 k( 77) = ( 0.5000000 -0.5162031 -0.8464646), wk = 0.0029240 k( 78) = ( 0.5000000 -0.5059338 -0.8632314), wk = 0.0029240 k( 79) = ( 0.5000000 -0.4956645 -0.8799982), wk = 0.0029240 k( 80) = ( 0.5000000 -0.4853952 -0.8967650), wk = 0.0029240 k( 81) = ( 0.5000000 -0.4751258 -0.9135318), wk = 0.0029240 k( 82) = ( 0.5000000 -0.4648565 -0.9302986), wk = 0.0029240 k( 83) = ( 0.5000000 -0.4545872 -0.9470653), wk = 0.0029240 k( 84) = ( 0.5000000 -0.4443179 -0.9638321), wk = 0.0029240 k( 85) = ( 0.5000000 -0.4340485 -0.9805989), wk = 0.0029240 k( 86) = ( 0.5000000 -0.4237792 -0.9973657), wk = 0.0029240 k( 87) = ( 0.5000000 -0.4135099 -1.0141325), wk = 0.0029240 k( 88) = ( 0.8124343 -0.3191634 -0.8291806), wk = 0.0029240 k( 89) = ( 0.8067536 -0.3106152 -0.8124232), wk = 0.0029240 k( 90) = ( 0.8010730 -0.3020671 -0.7956658), wk = 0.0029240 k( 91) = ( 0.7953924 -0.2935189 -0.7789085), wk = 0.0029240 k( 92) = ( 0.7897118 -0.2849707 -0.7621511), wk = 0.0029240 k( 93) = ( 0.7840311 -0.2764225 -0.7453937), wk = 0.0029240 k( 94) = ( 0.7783505 -0.2678744 -0.7286363), wk = 0.0029240 k( 95) = ( 0.7726699 -0.2593262 -0.7118789), wk = 0.0029240 k( 96) = ( 0.7669893 -0.2507780 -0.6951215), wk = 0.0029240 k( 97) = ( 0.7613087 -0.2422298 -0.6783641), wk = 0.0029240 k( 98) = ( 0.7556280 -0.2336817 -0.6616067), wk = 0.0029240 k( 99) = ( 0.7499474 -0.2251335 -0.6448493), wk = 0.0029240 k( 100) = ( 0.7442668 -0.2165853 -0.6280919), wk = 0.0029240 k( 101) = ( 0.7385862 -0.2080372 -0.6113345), wk = 0.0029240 k( 102) = ( 0.7329055 -0.1994890 -0.5945771), wk = 0.0029240 k( 103) = ( 0.7272249 -0.1909408 -0.5778197), wk = 0.0029240 k( 104) = ( 0.7215443 -0.1823926 -0.5610623), wk = 0.0029240 k( 105) = ( 0.7158637 -0.1738445 -0.5443050), wk = 0.0029240 k( 106) = ( 0.7101831 -0.1652963 -0.5275476), wk = 0.0029240 k( 107) = ( 0.7045024 -0.1567481 -0.5107902), wk = 0.0029240 k( 108) = ( 0.6988218 -0.1481999 -0.4940328), wk = 0.0029240 k( 109) = ( 0.6931412 -0.1396518 -0.4772754), wk = 0.0029240 k( 110) = ( 0.6874605 -0.1311036 -0.4605180), wk = 0.0029240 k( 111) = ( 0.6817799 -0.1225554 -0.4437606), wk = 0.0029240 k( 112) = ( 0.6760993 -0.1140072 -0.4270032), wk = 0.0029240 k( 113) = ( 0.6704187 -0.1054591 -0.4102458), wk = 0.0029240 k( 114) = ( 0.6647381 -0.0969109 -0.3934884), wk = 0.0029240 k( 115) = ( 0.6590574 -0.0883627 -0.3767310), wk = 0.0029240 k( 116) = ( 0.6533768 -0.0798146 -0.3599736), wk = 0.0029240 k( 117) = ( 0.6476962 -0.0712664 -0.3432162), wk = 0.0029240 k( 118) = ( 0.6420156 -0.0627182 -0.3264589), wk = 0.0029240 k( 119) = ( 0.6363349 -0.0541700 -0.3097015), wk = 0.0029240 k( 120) = ( 0.6306543 -0.0456219 -0.2929441), wk = 0.0029240 k( 121) = ( 0.6249737 -0.0370737 -0.2761867), wk = 0.0029240 k( 122) = ( 0.6192931 -0.0285255 -0.2594293), wk = 0.0029240 k( 123) = ( 0.6136125 -0.0199773 -0.2426719), wk = 0.0029240 k( 124) = ( 0.6079318 -0.0114292 -0.2259145), wk = 0.0029240 k( 125) = ( 0.6022512 -0.0028810 -0.2091571), wk = 0.0029240 k( 126) = ( 0.5965706 0.0056672 -0.1923997), wk = 0.0029240 k( 127) = ( 0.5908900 0.0142153 -0.1756423), wk = 0.0029240 k( 128) = ( 0.5852093 0.0227635 -0.1588849), wk = 0.0029240 k( 129) = ( 0.5795287 0.0313117 -0.1421275), wk = 0.0029240 k( 130) = ( 0.5738481 0.0398599 -0.1253702), wk = 0.0029240 k( 131) = ( 0.5681675 0.0484081 -0.1086127), wk = 0.0029240 k( 132) = ( 0.5624868 0.0569562 -0.0918554), wk = 0.0029240 k( 133) = ( 0.5568062 0.0655044 -0.0750980), wk = 0.0029240 k( 134) = ( 0.5511256 0.0740526 -0.0583406), wk = 0.0029240 k( 135) = ( 0.5454450 0.0826007 -0.0415832), wk = 0.0029240 k( 136) = ( 0.5397644 0.0911489 -0.0248258), wk = 0.0029240 k( 137) = ( 0.5340837 0.0996971 -0.0080684), wk = 0.0029240 k( 138) = ( 0.5284031 0.1082453 0.0086890), wk = 0.0029240 k( 139) = ( 0.5227225 0.1167934 0.0254464), wk = 0.0029240 k( 140) = ( 0.5170419 0.1253416 0.0422038), wk = 0.0029240 k( 141) = ( 0.5113612 0.1338898 0.0589612), wk = 0.0029240 k( 142) = ( 0.5056806 0.1424380 0.0757186), wk = 0.0029240 k( 143) = ( 0.5000000 0.1509861 0.0924760), wk = 0.0029240 k( 144) = ( 0.5000000 0.1509861 0.0924760), wk = 0.0029240 k( 145) = ( 0.4814815 0.1453941 0.0890509), wk = 0.0029240 k( 146) = ( 0.4629630 0.1398020 0.0856259), wk = 0.0029240 k( 147) = ( 0.4444444 0.1342099 0.0822008), wk = 0.0029240 k( 148) = ( 0.4259259 0.1286178 0.0787758), wk = 0.0029240 k( 149) = ( 0.4074074 0.1230257 0.0753508), wk = 0.0029240 k( 150) = ( 0.3888889 0.1174337 0.0719257), wk = 0.0029240 k( 151) = ( 0.3703704 0.1118416 0.0685007), wk = 0.0029240 k( 152) = ( 0.3518519 0.1062495 0.0650757), wk = 0.0029240 k( 153) = ( 0.3333333 0.1006574 0.0616506), wk = 0.0029240 k( 154) = ( 0.3148148 0.0950653 0.0582256), wk = 0.0029240 k( 155) = ( 0.2962963 0.0894733 0.0548006), wk = 0.0029240 k( 156) = ( 0.2777778 0.0838812 0.0513755), wk = 0.0029240 k( 157) = ( 0.2592593 0.0782891 0.0479505), wk = 0.0029240 k( 158) = ( 0.2407407 0.0726970 0.0445255), wk = 0.0029240 k( 159) = ( 0.2222222 0.0671049 0.0411004), wk = 0.0029240 k( 160) = ( 0.2037037 0.0615129 0.0376754), wk = 0.0029240 k( 161) = ( 0.1851852 0.0559208 0.0342504), wk = 0.0029240 k( 162) = ( 0.1666667 0.0503287 0.0308253), wk = 0.0029240 k( 163) = ( 0.1481482 0.0447366 0.0274003), wk = 0.0029240 k( 164) = ( 0.1296296 0.0391446 0.0239752), wk = 0.0029240 k( 165) = ( 0.1111111 0.0335525 0.0205502), wk = 0.0029240 k( 166) = ( 0.0925926 0.0279604 0.0171252), wk = 0.0029240 k( 167) = ( 0.0740741 0.0223683 0.0137001), wk = 0.0029240 k( 168) = ( 0.0555556 0.0167762 0.0102751), wk = 0.0029240 k( 169) = ( 0.0370370 0.0111842 0.0068501), wk = 0.0029240 k( 170) = ( 0.0185185 0.0055921 0.0034250), wk = 0.0029240 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 173) = ( 0.0056358 -0.0084807 -0.0166251), wk = 0.0029240 k( 174) = ( 0.0112716 -0.0169614 -0.0332502), wk = 0.0029240 k( 175) = ( 0.0169074 -0.0254421 -0.0498754), wk = 0.0029240 k( 176) = ( 0.0225431 -0.0339228 -0.0665005), wk = 0.0029240 k( 177) = ( 0.0281789 -0.0424035 -0.0831256), wk = 0.0029240 k( 178) = ( 0.0338147 -0.0508842 -0.0997507), wk = 0.0029240 k( 179) = ( 0.0394505 -0.0593649 -0.1163759), wk = 0.0029240 k( 180) = ( 0.0450863 -0.0678456 -0.1330010), wk = 0.0029240 k( 181) = ( 0.0507221 -0.0763263 -0.1496261), wk = 0.0029240 k( 182) = ( 0.0563579 -0.0848070 -0.1662512), wk = 0.0029240 k( 183) = ( 0.0619936 -0.0932877 -0.1828764), wk = 0.0029240 k( 184) = ( 0.0676294 -0.1017684 -0.1995015), wk = 0.0029240 k( 185) = ( 0.0732652 -0.1102491 -0.2161266), wk = 0.0029240 k( 186) = ( 0.0789010 -0.1187298 -0.2327517), wk = 0.0029240 k( 187) = ( 0.0845368 -0.1272105 -0.2493768), wk = 0.0029240 k( 188) = ( 0.0901726 -0.1356912 -0.2660020), wk = 0.0029240 k( 189) = ( 0.0958083 -0.1441719 -0.2826271), wk = 0.0029240 k( 190) = ( 0.1014441 -0.1526526 -0.2992522), wk = 0.0029240 k( 191) = ( 0.1070799 -0.1611333 -0.3158773), wk = 0.0029240 k( 192) = ( 0.1127157 -0.1696140 -0.3325025), wk = 0.0029240 k( 193) = ( 0.1183515 -0.1780947 -0.3491276), wk = 0.0029240 k( 194) = ( 0.1239873 -0.1865754 -0.3657527), wk = 0.0029240 k( 195) = ( 0.1296230 -0.1950561 -0.3823778), wk = 0.0029240 k( 196) = ( 0.1352588 -0.2035368 -0.3990029), wk = 0.0029240 k( 197) = ( 0.1408946 -0.2120175 -0.4156281), wk = 0.0029240 k( 198) = ( 0.1465304 -0.2204982 -0.4322532), wk = 0.0029240 k( 199) = ( 0.1521662 -0.2289789 -0.4488783), wk = 0.0029240 k( 200) = ( 0.1578020 -0.2374596 -0.4655034), wk = 0.0029240 k( 201) = ( 0.1634378 -0.2459403 -0.4821286), wk = 0.0029240 k( 202) = ( 0.1690735 -0.2544210 -0.4987537), wk = 0.0029240 k( 203) = ( 0.1747093 -0.2629017 -0.5153788), wk = 0.0029240 k( 204) = ( 0.1803451 -0.2713824 -0.5320039), wk = 0.0029240 k( 205) = ( 0.1859809 -0.2798631 -0.5486291), wk = 0.0029240 k( 206) = ( 0.1916167 -0.2883438 -0.5652542), wk = 0.0029240 k( 207) = ( 0.1972525 -0.2968246 -0.5818793), wk = 0.0029240 k( 208) = ( 0.2028882 -0.3053052 -0.5985044), wk = 0.0029240 k( 209) = ( 0.2085240 -0.3137860 -0.6151296), wk = 0.0029240 k( 210) = ( 0.2141598 -0.3222666 -0.6317547), wk = 0.0029240 k( 211) = ( 0.2197956 -0.3307474 -0.6483798), wk = 0.0029240 k( 212) = ( 0.2254314 -0.3392281 -0.6650049), wk = 0.0029240 k( 213) = ( 0.2310672 -0.3477088 -0.6816301), wk = 0.0029240 k( 214) = ( 0.2367030 -0.3561895 -0.6982552), wk = 0.0029240 k( 215) = ( 0.2423387 -0.3646702 -0.7148803), wk = 0.0029240 k( 216) = ( 0.2479745 -0.3731509 -0.7315054), wk = 0.0029240 k( 217) = ( 0.2536103 -0.3816316 -0.7481305), wk = 0.0029240 k( 218) = ( 0.2592461 -0.3901123 -0.7647557), wk = 0.0029240 k( 219) = ( 0.2648819 -0.3985930 -0.7813808), wk = 0.0029240 k( 220) = ( 0.2705177 -0.4070737 -0.7980059), wk = 0.0029240 k( 221) = ( 0.2761535 -0.4155544 -0.8146310), wk = 0.0029240 k( 222) = ( 0.2817892 -0.4240351 -0.8312562), wk = 0.0029240 k( 223) = ( 0.2874250 -0.4325158 -0.8478813), wk = 0.0029240 k( 224) = ( 0.2930608 -0.4409965 -0.8645064), wk = 0.0029240 k( 225) = ( 0.2986966 -0.4494772 -0.8811315), wk = 0.0029240 k( 226) = ( 0.3043324 -0.4579579 -0.8977567), wk = 0.0029240 k( 227) = ( 0.3099682 -0.4664386 -0.9143818), wk = 0.0029240 k( 228) = ( 0.3156040 -0.4749193 -0.9310069), wk = 0.0029240 k( 229) = ( 0.3212397 -0.4834000 -0.9476320), wk = 0.0029240 k( 230) = ( 0.3268755 -0.4918807 -0.9642572), wk = 0.0029240 k( 231) = ( 0.3325113 -0.5003614 -0.9808823), wk = 0.0029240 k( 232) = ( 0.3381471 -0.5088421 -0.9975074), wk = 0.0029240 k( 233) = ( 0.3437829 -0.5173228 -1.0141325), wk = 0.0029240 k( 234) = ( 0.6562171 -0.3663367 -0.9216566), wk = 0.0029240 k( 235) = ( 0.6506380 -0.3478609 -0.9216566), wk = 0.0029240 k( 236) = ( 0.6450588 -0.3293850 -0.9216566), wk = 0.0029240 k( 237) = ( 0.6394796 -0.3109092 -0.9216566), wk = 0.0029240 k( 238) = ( 0.6339004 -0.2924334 -0.9216566), wk = 0.0029240 k( 239) = ( 0.6283212 -0.2739576 -0.9216566), wk = 0.0029240 k( 240) = ( 0.6227420 -0.2554818 -0.9216566), wk = 0.0029240 k( 241) = ( 0.6171629 -0.2370060 -0.9216566), wk = 0.0029240 k( 242) = ( 0.6115837 -0.2185301 -0.9216566), wk = 0.0029240 k( 243) = ( 0.6060045 -0.2000543 -0.9216566), wk = 0.0029240 k( 244) = ( 0.6004253 -0.1815785 -0.9216566), wk = 0.0029240 k( 245) = ( 0.5948461 -0.1631027 -0.9216566), wk = 0.0029240 k( 246) = ( 0.5892669 -0.1446269 -0.9216566), wk = 0.0029240 k( 247) = ( 0.5836877 -0.1261511 -0.9216566), wk = 0.0029240 k( 248) = ( 0.5781086 -0.1076752 -0.9216566), wk = 0.0029240 k( 249) = ( 0.5725294 -0.0891994 -0.9216566), wk = 0.0029240 k( 250) = ( 0.5669502 -0.0707236 -0.9216566), wk = 0.0029240 k( 251) = ( 0.5613710 -0.0522478 -0.9216566), wk = 0.0029240 k( 252) = ( 0.5557918 -0.0337720 -0.9216566), wk = 0.0029240 k( 253) = ( 0.5502126 -0.0152962 -0.9216566), wk = 0.0029240 k( 254) = ( 0.5446335 0.0031796 -0.9216566), wk = 0.0029240 k( 255) = ( 0.5390543 0.0216554 -0.9216566), wk = 0.0029240 k( 256) = ( 0.5334751 0.0401312 -0.9216566), wk = 0.0029240 k( 257) = ( 0.5278959 0.0586070 -0.9216566), wk = 0.0029240 k( 258) = ( 0.5223167 0.0770829 -0.9216566), wk = 0.0029240 k( 259) = ( 0.5167375 0.0955587 -0.9216566), wk = 0.0029240 k( 260) = ( 0.5111584 0.1140345 -0.9216566), wk = 0.0029240 k( 261) = ( 0.5055792 0.1325103 -0.9216566), wk = 0.0029240 k( 262) = ( 0.5000000 0.1509861 -0.9216566), wk = 0.0029240 k( 263) = ( 0.5000000 0.1509861 -0.9216566), wk = 0.0029240 k( 264) = ( 0.5156217 0.1557035 -0.9124090), wk = 0.0029240 k( 265) = ( 0.5312434 0.1604208 -0.9031614), wk = 0.0029240 k( 266) = ( 0.5468651 0.1651381 -0.8939138), wk = 0.0029240 k( 267) = ( 0.5624868 0.1698554 -0.8846662), wk = 0.0029240 k( 268) = ( 0.5781086 0.1745727 -0.8754186), wk = 0.0029240 k( 269) = ( 0.5937303 0.1792901 -0.8661710), wk = 0.0029240 k( 270) = ( 0.6093520 0.1840074 -0.8569234), wk = 0.0029240 k( 271) = ( 0.6249737 0.1887247 -0.8476758), wk = 0.0029240 k( 272) = ( 0.6405954 0.1934420 -0.8384282), wk = 0.0029240 k( 273) = ( 0.6562171 0.1981594 -0.8291806), wk = 0.0029240 k( 274) = ( 0.6562171 0.1981594 -0.8291806), wk = 0.0029240 k( 275) = ( 0.6529626 0.1971766 -0.8099795), wk = 0.0029240 k( 276) = ( 0.6497081 0.1961938 -0.7907783), wk = 0.0029240 k( 277) = ( 0.6464536 0.1952110 -0.7715771), wk = 0.0029240 k( 278) = ( 0.6431990 0.1942283 -0.7523759), wk = 0.0029240 k( 279) = ( 0.6399445 0.1932455 -0.7331747), wk = 0.0029240 k( 280) = ( 0.6366900 0.1922627 -0.7139736), wk = 0.0029240 k( 281) = ( 0.6334355 0.1912799 -0.6947724), wk = 0.0029240 k( 282) = ( 0.6301809 0.1902972 -0.6755712), wk = 0.0029240 k( 283) = ( 0.6269264 0.1893144 -0.6563700), wk = 0.0029240 k( 284) = ( 0.6236719 0.1883316 -0.6371688), wk = 0.0029240 k( 285) = ( 0.6204174 0.1873488 -0.6179677), wk = 0.0029240 k( 286) = ( 0.6171629 0.1863661 -0.5987665), wk = 0.0029240 k( 287) = ( 0.6139083 0.1853833 -0.5795653), wk = 0.0029240 k( 288) = ( 0.6106538 0.1844005 -0.5603641), wk = 0.0029240 k( 289) = ( 0.6073993 0.1834177 -0.5411629), wk = 0.0029240 k( 290) = ( 0.6041448 0.1824350 -0.5219618), wk = 0.0029240 k( 291) = ( 0.6008902 0.1814522 -0.5027606), wk = 0.0029240 k( 292) = ( 0.5976357 0.1804694 -0.4835594), wk = 0.0029240 k( 293) = ( 0.5943812 0.1794866 -0.4643582), wk = 0.0029240 k( 294) = ( 0.5911267 0.1785039 -0.4451571), wk = 0.0029240 k( 295) = ( 0.5878721 0.1775211 -0.4259559), wk = 0.0029240 k( 296) = ( 0.5846176 0.1765383 -0.4067547), wk = 0.0029240 k( 297) = ( 0.5813631 0.1755555 -0.3875535), wk = 0.0029240 k( 298) = ( 0.5781086 0.1745727 -0.3683523), wk = 0.0029240 k( 299) = ( 0.5748540 0.1735900 -0.3491512), wk = 0.0029240 k( 300) = ( 0.5715995 0.1726072 -0.3299500), wk = 0.0029240 k( 301) = ( 0.5683450 0.1716244 -0.3107488), wk = 0.0029240 k( 302) = ( 0.5650905 0.1706416 -0.2915476), wk = 0.0029240 k( 303) = ( 0.5618359 0.1696589 -0.2723464), wk = 0.0029240 k( 304) = ( 0.5585814 0.1686761 -0.2531453), wk = 0.0029240 k( 305) = ( 0.5553269 0.1676933 -0.2339441), wk = 0.0029240 k( 306) = ( 0.5520724 0.1667105 -0.2147429), wk = 0.0029240 k( 307) = ( 0.5488179 0.1657278 -0.1955417), wk = 0.0029240 k( 308) = ( 0.5455633 0.1647450 -0.1763406), wk = 0.0029240 k( 309) = ( 0.5423088 0.1637622 -0.1571394), wk = 0.0029240 k( 310) = ( 0.5390543 0.1627794 -0.1379382), wk = 0.0029240 k( 311) = ( 0.5357998 0.1617967 -0.1187370), wk = 0.0029240 k( 312) = ( 0.5325452 0.1608139 -0.0995358), wk = 0.0029240 k( 313) = ( 0.5292907 0.1598311 -0.0803346), wk = 0.0029240 k( 314) = ( 0.5260362 0.1588483 -0.0611335), wk = 0.0029240 k( 315) = ( 0.5227817 0.1578656 -0.0419323), wk = 0.0029240 k( 316) = ( 0.5195271 0.1568828 -0.0227311), wk = 0.0029240 k( 317) = ( 0.5162726 0.1559000 -0.0035300), wk = 0.0029240 k( 318) = ( 0.5130181 0.1549172 0.0156712), wk = 0.0029240 k( 319) = ( 0.5097636 0.1539345 0.0348724), wk = 0.0029240 k( 320) = ( 0.5065091 0.1529517 0.0540736), wk = 0.0029240 k( 321) = ( 0.5032545 0.1519689 0.0732748), wk = 0.0029240 k( 322) = ( 0.5000000 0.1509861 0.0924760), wk = 0.0029240 k( 323) = ( 0.5000000 -0.7523976 -0.4608283), wk = 0.0029240 k( 324) = ( 0.5164439 -0.7444509 -0.4559611), wk = 0.0029240 k( 325) = ( 0.5328878 -0.7365043 -0.4510940), wk = 0.0029240 k( 326) = ( 0.5493317 -0.7285576 -0.4462268), wk = 0.0029240 k( 327) = ( 0.5657756 -0.7206110 -0.4413597), wk = 0.0029240 k( 328) = ( 0.5822195 -0.7126644 -0.4364925), wk = 0.0029240 k( 329) = ( 0.5986634 -0.7047177 -0.4316254), wk = 0.0029240 k( 330) = ( 0.6151074 -0.6967711 -0.4267582), wk = 0.0029240 k( 331) = ( 0.6315513 -0.6888245 -0.4218911), wk = 0.0029240 k( 332) = ( 0.6479952 -0.6808778 -0.4170239), wk = 0.0029240 k( 333) = ( 0.6644391 -0.6729312 -0.4121567), wk = 0.0029240 k( 334) = ( 0.6808830 -0.6649845 -0.4072896), wk = 0.0029240 k( 335) = ( 0.6973269 -0.6570379 -0.4024224), wk = 0.0029240 k( 336) = ( 0.7137708 -0.6490913 -0.3975553), wk = 0.0029240 k( 337) = ( 0.7302147 -0.6411446 -0.3926881), wk = 0.0029240 k( 338) = ( 0.7466586 -0.6331980 -0.3878210), wk = 0.0029240 k( 339) = ( 0.7631025 -0.6252513 -0.3829538), wk = 0.0029240 k( 340) = ( 0.7795464 -0.6173047 -0.3780866), wk = 0.0029240 k( 341) = ( 0.7959903 -0.6093581 -0.3732195), wk = 0.0029240 k( 342) = ( 0.8124343 -0.6014114 -0.3683523), wk = 0.0029240 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0096154 0.0000000 0.0000000), wk = 0.0029240 k( 3) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0029240 k( 4) = ( 0.0288462 0.0000000 0.0000000), wk = 0.0029240 k( 5) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0029240 k( 6) = ( 0.0480769 0.0000000 0.0000000), wk = 0.0029240 k( 7) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0029240 k( 8) = ( 0.0673077 0.0000000 0.0000000), wk = 0.0029240 k( 9) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0029240 k( 10) = ( 0.0865385 0.0000000 0.0000000), wk = 0.0029240 k( 11) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0029240 k( 12) = ( 0.1057692 0.0000000 0.0000000), wk = 0.0029240 k( 13) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0029240 k( 14) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0029240 k( 15) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0029240 k( 16) = ( 0.1442308 0.0000000 0.0000000), wk = 0.0029240 k( 17) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0029240 k( 18) = ( 0.1634615 0.0000000 0.0000000), wk = 0.0029240 k( 19) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0029240 k( 20) = ( 0.1826923 0.0000000 0.0000000), wk = 0.0029240 k( 21) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0029240 k( 22) = ( 0.2019231 0.0000000 0.0000000), wk = 0.0029240 k( 23) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0029240 k( 24) = ( 0.2211539 0.0000000 0.0000000), wk = 0.0029240 k( 25) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0029240 k( 26) = ( 0.2403846 0.0000000 0.0000000), wk = 0.0029240 k( 27) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0029240 k( 28) = ( 0.2596154 0.0000000 0.0000000), wk = 0.0029240 k( 29) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0029240 k( 30) = ( 0.2788462 0.0000000 0.0000000), wk = 0.0029240 k( 31) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0029240 k( 32) = ( 0.2980769 0.0000000 0.0000000), wk = 0.0029240 k( 33) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0029240 k( 34) = ( 0.3173077 0.0000000 0.0000000), wk = 0.0029240 k( 35) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0029240 k( 36) = ( 0.3365385 -0.0000000 0.0000000), wk = 0.0029240 k( 37) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0029240 k( 38) = ( 0.3557692 0.0000000 0.0000000), wk = 0.0029240 k( 39) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0029240 k( 40) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0029240 k( 41) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0029240 k( 42) = ( 0.3942308 0.0000000 0.0000000), wk = 0.0029240 k( 43) = ( 0.4038462 -0.0000000 0.0000000), wk = 0.0029240 k( 44) = ( 0.4134615 0.0000000 0.0000000), wk = 0.0029240 k( 45) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0029240 k( 46) = ( 0.4326923 0.0000000 0.0000000), wk = 0.0029240 k( 47) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0029240 k( 48) = ( 0.4519231 0.0000000 0.0000000), wk = 0.0029240 k( 49) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0029240 k( 50) = ( 0.4711538 0.0000000 0.0000000), wk = 0.0029240 k( 51) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0029240 k( 52) = ( 0.4903846 0.0000000 0.0000000), wk = 0.0029240 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029240 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029240 k( 55) = ( 0.5000000 0.0056838 -0.0056838), wk = 0.0029240 k( 56) = ( 0.5000000 0.0113676 -0.0113676), wk = 0.0029240 k( 57) = ( 0.5000000 0.0170514 -0.0170514), wk = 0.0029240 k( 58) = ( 0.5000000 0.0227352 -0.0227352), wk = 0.0029240 k( 59) = ( 0.5000000 0.0284191 -0.0284190), wk = 0.0029240 k( 60) = ( 0.5000000 0.0341029 -0.0341029), wk = 0.0029240 k( 61) = ( 0.5000000 0.0397867 -0.0397867), wk = 0.0029240 k( 62) = ( 0.5000000 0.0454705 -0.0454705), wk = 0.0029240 k( 63) = ( 0.5000000 0.0511543 -0.0511543), wk = 0.0029240 k( 64) = ( 0.5000000 0.0568381 -0.0568381), wk = 0.0029240 k( 65) = ( 0.5000000 0.0625219 -0.0625219), wk = 0.0029240 k( 66) = ( 0.5000000 0.0682057 -0.0682057), wk = 0.0029240 k( 67) = ( 0.5000000 0.0738895 -0.0738895), wk = 0.0029240 k( 68) = ( 0.5000000 0.0795734 -0.0795733), wk = 0.0029240 k( 69) = ( 0.5000000 0.0852572 -0.0852572), wk = 0.0029240 k( 70) = ( 0.5000000 0.0909410 -0.0909410), wk = 0.0029240 k( 71) = ( 0.5000000 0.0966248 -0.0966248), wk = 0.0029240 k( 72) = ( 0.5000000 0.1023086 -0.1023086), wk = 0.0029240 k( 73) = ( 0.5000000 0.1079924 -0.1079924), wk = 0.0029240 k( 74) = ( 0.5000000 0.1136762 -0.1136762), wk = 0.0029240 k( 75) = ( 0.5000000 0.1193600 -0.1193600), wk = 0.0029240 k( 76) = ( 0.5000000 0.1250438 -0.1250438), wk = 0.0029240 k( 77) = ( 0.5000000 0.1307276 -0.1307276), wk = 0.0029240 k( 78) = ( 0.5000000 0.1364115 -0.1364115), wk = 0.0029240 k( 79) = ( 0.5000000 0.1420953 -0.1420953), wk = 0.0029240 k( 80) = ( 0.5000000 0.1477791 -0.1477791), wk = 0.0029240 k( 81) = ( 0.5000000 0.1534629 -0.1534629), wk = 0.0029240 k( 82) = ( 0.5000000 0.1591467 -0.1591467), wk = 0.0029240 k( 83) = ( 0.5000000 0.1648305 -0.1648305), wk = 0.0029240 k( 84) = ( 0.5000000 0.1705143 -0.1705143), wk = 0.0029240 k( 85) = ( 0.5000000 0.1761981 -0.1761981), wk = 0.0029240 k( 86) = ( 0.5000000 0.1818819 -0.1818819), wk = 0.0029240 k( 87) = ( 0.5000000 0.1875657 -0.1875657), wk = 0.0029240 k( 88) = ( 0.8124343 0.5000000 0.1875657), wk = 0.0029240 k( 89) = ( 0.8067536 0.5000000 0.1932464), wk = 0.0029240 k( 90) = ( 0.8010730 0.5000000 0.1989270), wk = 0.0029240 k( 91) = ( 0.7953924 0.5000000 0.2046076), wk = 0.0029240 k( 92) = ( 0.7897118 0.5000000 0.2102882), wk = 0.0029240 k( 93) = ( 0.7840311 0.5000000 0.2159689), wk = 0.0029240 k( 94) = ( 0.7783505 0.5000000 0.2216495), wk = 0.0029240 k( 95) = ( 0.7726699 0.5000000 0.2273301), wk = 0.0029240 k( 96) = ( 0.7669893 0.5000000 0.2330107), wk = 0.0029240 k( 97) = ( 0.7613087 0.5000000 0.2386913), wk = 0.0029240 k( 98) = ( 0.7556280 0.5000000 0.2443720), wk = 0.0029240 k( 99) = ( 0.7499474 0.5000000 0.2500526), wk = 0.0029240 k( 100) = ( 0.7442668 0.5000000 0.2557332), wk = 0.0029240 k( 101) = ( 0.7385862 0.5000000 0.2614138), wk = 0.0029240 k( 102) = ( 0.7329055 0.5000000 0.2670945), wk = 0.0029240 k( 103) = ( 0.7272249 0.5000000 0.2727751), wk = 0.0029240 k( 104) = ( 0.7215443 0.5000000 0.2784557), wk = 0.0029240 k( 105) = ( 0.7158637 0.5000000 0.2841363), wk = 0.0029240 k( 106) = ( 0.7101831 0.5000000 0.2898170), wk = 0.0029240 k( 107) = ( 0.7045024 0.5000000 0.2954976), wk = 0.0029240 k( 108) = ( 0.6988218 0.5000000 0.3011782), wk = 0.0029240 k( 109) = ( 0.6931412 0.5000000 0.3068588), wk = 0.0029240 k( 110) = ( 0.6874605 0.5000000 0.3125394), wk = 0.0029240 k( 111) = ( 0.6817799 0.5000000 0.3182201), wk = 0.0029240 k( 112) = ( 0.6760993 0.5000000 0.3239007), wk = 0.0029240 k( 113) = ( 0.6704187 0.5000000 0.3295813), wk = 0.0029240 k( 114) = ( 0.6647381 0.5000000 0.3352619), wk = 0.0029240 k( 115) = ( 0.6590574 0.5000000 0.3409426), wk = 0.0029240 k( 116) = ( 0.6533768 0.5000000 0.3466232), wk = 0.0029240 k( 117) = ( 0.6476962 0.5000000 0.3523038), wk = 0.0029240 k( 118) = ( 0.6420156 0.5000000 0.3579844), wk = 0.0029240 k( 119) = ( 0.6363349 0.5000000 0.3636650), wk = 0.0029240 k( 120) = ( 0.6306543 0.5000000 0.3693457), wk = 0.0029240 k( 121) = ( 0.6249737 0.5000000 0.3750263), wk = 0.0029240 k( 122) = ( 0.6192931 0.5000000 0.3807069), wk = 0.0029240 k( 123) = ( 0.6136125 0.5000000 0.3863875), wk = 0.0029240 k( 124) = ( 0.6079318 0.5000000 0.3920682), wk = 0.0029240 k( 125) = ( 0.6022512 0.5000000 0.3977488), wk = 0.0029240 k( 126) = ( 0.5965706 0.5000000 0.4034294), wk = 0.0029240 k( 127) = ( 0.5908900 0.5000000 0.4091100), wk = 0.0029240 k( 128) = ( 0.5852093 0.5000000 0.4147907), wk = 0.0029240 k( 129) = ( 0.5795287 0.5000000 0.4204713), wk = 0.0029240 k( 130) = ( 0.5738481 0.5000000 0.4261519), wk = 0.0029240 k( 131) = ( 0.5681675 0.5000000 0.4318325), wk = 0.0029240 k( 132) = ( 0.5624868 0.5000000 0.4375132), wk = 0.0029240 k( 133) = ( 0.5568062 0.5000000 0.4431938), wk = 0.0029240 k( 134) = ( 0.5511256 0.5000000 0.4488744), wk = 0.0029240 k( 135) = ( 0.5454450 0.5000000 0.4545550), wk = 0.0029240 k( 136) = ( 0.5397644 0.5000000 0.4602356), wk = 0.0029240 k( 137) = ( 0.5340837 0.5000000 0.4659163), wk = 0.0029240 k( 138) = ( 0.5284031 0.5000000 0.4715969), wk = 0.0029240 k( 139) = ( 0.5227225 0.5000000 0.4772775), wk = 0.0029240 k( 140) = ( 0.5170419 0.5000000 0.4829581), wk = 0.0029240 k( 141) = ( 0.5113612 0.5000000 0.4886388), wk = 0.0029240 k( 142) = ( 0.5056806 0.5000000 0.4943194), wk = 0.0029240 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029240 k( 144) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029240 k( 145) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0029240 k( 146) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0029240 k( 147) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0029240 k( 148) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0029240 k( 149) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0029240 k( 150) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0029240 k( 151) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0029240 k( 152) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0029240 k( 153) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029240 k( 154) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0029240 k( 155) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0029240 k( 156) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0029240 k( 157) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0029240 k( 158) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0029240 k( 159) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0029240 k( 160) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0029240 k( 161) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0029240 k( 162) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0029240 k( 163) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0029240 k( 164) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0029240 k( 165) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0029240 k( 166) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0029240 k( 167) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0029240 k( 168) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0029240 k( 169) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0029240 k( 170) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0029240 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 173) = ( 0.0056358 0.0000000 -0.0056358), wk = 0.0029240 k( 174) = ( 0.0112716 0.0000000 -0.0112716), wk = 0.0029240 k( 175) = ( 0.0169074 0.0000000 -0.0169073), wk = 0.0029240 k( 176) = ( 0.0225431 0.0000000 -0.0225431), wk = 0.0029240 k( 177) = ( 0.0281789 0.0000000 -0.0281789), wk = 0.0029240 k( 178) = ( 0.0338147 0.0000000 -0.0338147), wk = 0.0029240 k( 179) = ( 0.0394505 0.0000000 -0.0394505), wk = 0.0029240 k( 180) = ( 0.0450863 0.0000000 -0.0450863), wk = 0.0029240 k( 181) = ( 0.0507221 0.0000000 -0.0507221), wk = 0.0029240 k( 182) = ( 0.0563579 0.0000000 -0.0563579), wk = 0.0029240 k( 183) = ( 0.0619936 -0.0000000 -0.0619936), wk = 0.0029240 k( 184) = ( 0.0676294 0.0000000 -0.0676294), wk = 0.0029240 k( 185) = ( 0.0732652 0.0000000 -0.0732652), wk = 0.0029240 k( 186) = ( 0.0789010 0.0000000 -0.0789010), wk = 0.0029240 k( 187) = ( 0.0845368 0.0000000 -0.0845368), wk = 0.0029240 k( 188) = ( 0.0901726 0.0000000 -0.0901726), wk = 0.0029240 k( 189) = ( 0.0958083 0.0000000 -0.0958083), wk = 0.0029240 k( 190) = ( 0.1014441 0.0000000 -0.1014441), wk = 0.0029240 k( 191) = ( 0.1070799 0.0000000 -0.1070799), wk = 0.0029240 k( 192) = ( 0.1127157 0.0000000 -0.1127157), wk = 0.0029240 k( 193) = ( 0.1183515 0.0000000 -0.1183515), wk = 0.0029240 k( 194) = ( 0.1239873 -0.0000000 -0.1239873), wk = 0.0029240 k( 195) = ( 0.1296230 0.0000000 -0.1296230), wk = 0.0029240 k( 196) = ( 0.1352588 0.0000000 -0.1352588), wk = 0.0029240 k( 197) = ( 0.1408946 0.0000000 -0.1408946), wk = 0.0029240 k( 198) = ( 0.1465304 0.0000000 -0.1465304), wk = 0.0029240 k( 199) = ( 0.1521662 0.0000000 -0.1521662), wk = 0.0029240 k( 200) = ( 0.1578020 0.0000000 -0.1578020), wk = 0.0029240 k( 201) = ( 0.1634378 0.0000000 -0.1634378), wk = 0.0029240 k( 202) = ( 0.1690735 0.0000000 -0.1690735), wk = 0.0029240 k( 203) = ( 0.1747093 -0.0000000 -0.1747093), wk = 0.0029240 k( 204) = ( 0.1803451 0.0000000 -0.1803451), wk = 0.0029240 k( 205) = ( 0.1859809 0.0000000 -0.1859809), wk = 0.0029240 k( 206) = ( 0.1916167 0.0000000 -0.1916167), wk = 0.0029240 k( 207) = ( 0.1972525 0.0000000 -0.1972525), wk = 0.0029240 k( 208) = ( 0.2028882 0.0000000 -0.2028882), wk = 0.0029240 k( 209) = ( 0.2085240 0.0000000 -0.2085240), wk = 0.0029240 k( 210) = ( 0.2141598 0.0000000 -0.2141598), wk = 0.0029240 k( 211) = ( 0.2197956 0.0000000 -0.2197956), wk = 0.0029240 k( 212) = ( 0.2254314 0.0000000 -0.2254314), wk = 0.0029240 k( 213) = ( 0.2310672 0.0000000 -0.2310672), wk = 0.0029240 k( 214) = ( 0.2367030 0.0000000 -0.2367030), wk = 0.0029240 k( 215) = ( 0.2423387 0.0000000 -0.2423387), wk = 0.0029240 k( 216) = ( 0.2479745 0.0000000 -0.2479745), wk = 0.0029240 k( 217) = ( 0.2536103 0.0000000 -0.2536103), wk = 0.0029240 k( 218) = ( 0.2592461 0.0000000 -0.2592461), wk = 0.0029240 k( 219) = ( 0.2648819 0.0000000 -0.2648819), wk = 0.0029240 k( 220) = ( 0.2705177 0.0000000 -0.2705177), wk = 0.0029240 k( 221) = ( 0.2761535 0.0000000 -0.2761534), wk = 0.0029240 k( 222) = ( 0.2817892 0.0000000 -0.2817892), wk = 0.0029240 k( 223) = ( 0.2874250 0.0000000 -0.2874250), wk = 0.0029240 k( 224) = ( 0.2930608 0.0000000 -0.2930608), wk = 0.0029240 k( 225) = ( 0.2986966 0.0000000 -0.2986966), wk = 0.0029240 k( 226) = ( 0.3043324 0.0000000 -0.3043324), wk = 0.0029240 k( 227) = ( 0.3099682 0.0000000 -0.3099682), wk = 0.0029240 k( 228) = ( 0.3156040 0.0000000 -0.3156039), wk = 0.0029240 k( 229) = ( 0.3212397 0.0000000 -0.3212397), wk = 0.0029240 k( 230) = ( 0.3268755 0.0000000 -0.3268755), wk = 0.0029240 k( 231) = ( 0.3325113 0.0000000 -0.3325113), wk = 0.0029240 k( 232) = ( 0.3381471 0.0000000 -0.3381471), wk = 0.0029240 k( 233) = ( 0.3437829 0.0000000 -0.3437829), wk = 0.0029240 k( 234) = ( 0.6562171 0.3437829 0.0000000), wk = 0.0029240 k( 235) = ( 0.6506380 0.3493621 0.0000000), wk = 0.0029240 k( 236) = ( 0.6450588 0.3549412 0.0000000), wk = 0.0029240 k( 237) = ( 0.6394796 0.3605204 0.0000000), wk = 0.0029240 k( 238) = ( 0.6339004 0.3660996 0.0000000), wk = 0.0029240 k( 239) = ( 0.6283212 0.3716788 0.0000000), wk = 0.0029240 k( 240) = ( 0.6227420 0.3772580 0.0000000), wk = 0.0029240 k( 241) = ( 0.6171629 0.3828372 0.0000000), wk = 0.0029240 k( 242) = ( 0.6115837 0.3884163 0.0000000), wk = 0.0029240 k( 243) = ( 0.6060045 0.3939955 0.0000000), wk = 0.0029240 k( 244) = ( 0.6004253 0.3995747 0.0000000), wk = 0.0029240 k( 245) = ( 0.5948461 0.4051539 0.0000000), wk = 0.0029240 k( 246) = ( 0.5892669 0.4107331 0.0000000), wk = 0.0029240 k( 247) = ( 0.5836877 0.4163122 0.0000000), wk = 0.0029240 k( 248) = ( 0.5781086 0.4218914 0.0000000), wk = 0.0029240 k( 249) = ( 0.5725294 0.4274706 0.0000000), wk = 0.0029240 k( 250) = ( 0.5669502 0.4330498 0.0000000), wk = 0.0029240 k( 251) = ( 0.5613710 0.4386290 0.0000000), wk = 0.0029240 k( 252) = ( 0.5557918 0.4442082 0.0000000), wk = 0.0029240 k( 253) = ( 0.5502126 0.4497874 0.0000000), wk = 0.0029240 k( 254) = ( 0.5446335 0.4553665 0.0000000), wk = 0.0029240 k( 255) = ( 0.5390543 0.4609457 0.0000000), wk = 0.0029240 k( 256) = ( 0.5334751 0.4665249 0.0000000), wk = 0.0029240 k( 257) = ( 0.5278959 0.4721041 0.0000000), wk = 0.0029240 k( 258) = ( 0.5223167 0.4776833 0.0000000), wk = 0.0029240 k( 259) = ( 0.5167375 0.4832625 0.0000000), wk = 0.0029240 k( 260) = ( 0.5111584 0.4888416 0.0000000), wk = 0.0029240 k( 261) = ( 0.5055792 0.4944208 0.0000000), wk = 0.0029240 k( 262) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029240 k( 263) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029240 k( 264) = ( 0.5156217 0.5156217 0.0187566), wk = 0.0029240 k( 265) = ( 0.5312434 0.5312434 0.0375132), wk = 0.0029240 k( 266) = ( 0.5468651 0.5468651 0.0562697), wk = 0.0029240 k( 267) = ( 0.5624868 0.5624869 0.0750263), wk = 0.0029240 k( 268) = ( 0.5781086 0.5781086 0.0937829), wk = 0.0029240 k( 269) = ( 0.5937303 0.5937303 0.1125395), wk = 0.0029240 k( 270) = ( 0.6093520 0.6093520 0.1312960), wk = 0.0029240 k( 271) = ( 0.6249737 0.6249737 0.1500526), wk = 0.0029240 k( 272) = ( 0.6405954 0.6405954 0.1688092), wk = 0.0029240 k( 273) = ( 0.6562171 0.6562171 0.1875657), wk = 0.0029240 k( 274) = ( 0.6562171 0.6562171 0.1875657), wk = 0.0029240 k( 275) = ( 0.6529626 0.6529626 0.1940748), wk = 0.0029240 k( 276) = ( 0.6497081 0.6497081 0.2005838), wk = 0.0029240 k( 277) = ( 0.6464536 0.6464536 0.2070929), wk = 0.0029240 k( 278) = ( 0.6431990 0.6431990 0.2136019), wk = 0.0029240 k( 279) = ( 0.6399445 0.6399445 0.2201110), wk = 0.0029240 k( 280) = ( 0.6366900 0.6366900 0.2266200), wk = 0.0029240 k( 281) = ( 0.6334355 0.6334355 0.2331291), wk = 0.0029240 k( 282) = ( 0.6301809 0.6301809 0.2396381), wk = 0.0029240 k( 283) = ( 0.6269264 0.6269264 0.2461472), wk = 0.0029240 k( 284) = ( 0.6236719 0.6236719 0.2526562), wk = 0.0029240 k( 285) = ( 0.6204174 0.6204174 0.2591653), wk = 0.0029240 k( 286) = ( 0.6171629 0.6171629 0.2656743), wk = 0.0029240 k( 287) = ( 0.6139083 0.6139083 0.2721834), wk = 0.0029240 k( 288) = ( 0.6106538 0.6106538 0.2786924), wk = 0.0029240 k( 289) = ( 0.6073993 0.6073993 0.2852014), wk = 0.0029240 k( 290) = ( 0.6041448 0.6041448 0.2917105), wk = 0.0029240 k( 291) = ( 0.6008902 0.6008902 0.2982195), wk = 0.0029240 k( 292) = ( 0.5976357 0.5976357 0.3047286), wk = 0.0029240 k( 293) = ( 0.5943812 0.5943812 0.3112376), wk = 0.0029240 k( 294) = ( 0.5911267 0.5911267 0.3177467), wk = 0.0029240 k( 295) = ( 0.5878721 0.5878721 0.3242557), wk = 0.0029240 k( 296) = ( 0.5846176 0.5846176 0.3307648), wk = 0.0029240 k( 297) = ( 0.5813631 0.5813631 0.3372738), wk = 0.0029240 k( 298) = ( 0.5781086 0.5781086 0.3437829), wk = 0.0029240 k( 299) = ( 0.5748540 0.5748540 0.3502919), wk = 0.0029240 k( 300) = ( 0.5715995 0.5715995 0.3568010), wk = 0.0029240 k( 301) = ( 0.5683450 0.5683450 0.3633100), wk = 0.0029240 k( 302) = ( 0.5650905 0.5650905 0.3698191), wk = 0.0029240 k( 303) = ( 0.5618359 0.5618360 0.3763281), wk = 0.0029240 k( 304) = ( 0.5585814 0.5585814 0.3828372), wk = 0.0029240 k( 305) = ( 0.5553269 0.5553269 0.3893462), wk = 0.0029240 k( 306) = ( 0.5520724 0.5520724 0.3958553), wk = 0.0029240 k( 307) = ( 0.5488179 0.5488179 0.4023643), wk = 0.0029240 k( 308) = ( 0.5455633 0.5455633 0.4088733), wk = 0.0029240 k( 309) = ( 0.5423088 0.5423088 0.4153824), wk = 0.0029240 k( 310) = ( 0.5390543 0.5390543 0.4218914), wk = 0.0029240 k( 311) = ( 0.5357998 0.5357998 0.4284005), wk = 0.0029240 k( 312) = ( 0.5325452 0.5325452 0.4349095), wk = 0.0029240 k( 313) = ( 0.5292907 0.5292907 0.4414186), wk = 0.0029240 k( 314) = ( 0.5260362 0.5260362 0.4479276), wk = 0.0029240 k( 315) = ( 0.5227817 0.5227817 0.4544367), wk = 0.0029240 k( 316) = ( 0.5195271 0.5195271 0.4609457), wk = 0.0029240 k( 317) = ( 0.5162726 0.5162726 0.4674548), wk = 0.0029240 k( 318) = ( 0.5130181 0.5130181 0.4739638), wk = 0.0029240 k( 319) = ( 0.5097636 0.5097636 0.4804729), wk = 0.0029240 k( 320) = ( 0.5065091 0.5065091 0.4869819), wk = 0.0029240 k( 321) = ( 0.5032545 0.5032545 0.4934909), wk = 0.0029240 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029240 k( 323) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029240 k( 324) = ( 0.5164439 0.0180938 0.0180938), wk = 0.0029240 k( 325) = ( 0.5328878 0.0361877 0.0361877), wk = 0.0029240 k( 326) = ( 0.5493317 0.0542815 0.0542815), wk = 0.0029240 k( 327) = ( 0.5657756 0.0723753 0.0723753), wk = 0.0029240 k( 328) = ( 0.5822195 0.0904692 0.0904692), wk = 0.0029240 k( 329) = ( 0.5986634 0.1085630 0.1085630), wk = 0.0029240 k( 330) = ( 0.6151074 0.1266569 0.1266569), wk = 0.0029240 k( 331) = ( 0.6315513 0.1447507 0.1447507), wk = 0.0029240 k( 332) = ( 0.6479952 0.1628445 0.1628445), wk = 0.0029240 k( 333) = ( 0.6644391 0.1809384 0.1809384), wk = 0.0029240 k( 334) = ( 0.6808830 0.1990322 0.1990322), wk = 0.0029240 k( 335) = ( 0.6973269 0.2171260 0.2171260), wk = 0.0029240 k( 336) = ( 0.7137708 0.2352199 0.2352199), wk = 0.0029240 k( 337) = ( 0.7302147 0.2533137 0.2533137), wk = 0.0029240 k( 338) = ( 0.7466586 0.2714075 0.2714075), wk = 0.0029240 k( 339) = ( 0.7631025 0.2895014 0.2895014), wk = 0.0029240 k( 340) = ( 0.7795464 0.3075952 0.3075952), wk = 0.0029240 k( 341) = ( 0.7959903 0.3256890 0.3256890), wk = 0.0029240 k( 342) = ( 0.8124343 0.3437829 0.3437829), wk = 0.0029240 Dense grid: 56871 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 27073 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 198, 32) NL pseudopotentials 0.12 Mb ( 99, 82) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1581) G-vector shells 0.01 Mb ( 1338) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 198, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.08 Mb ( 82, 2, 32) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./MgCl2.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 8.0 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.6 secs Computing kpt #: 16 total cpu time spent up to now is 10.1 secs Computing kpt #: 17 total cpu time spent up to now is 10.5 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.1 secs Computing kpt #: 22 total cpu time spent up to now is 12.4 secs Computing kpt #: 23 total cpu time spent up to now is 12.8 secs Computing kpt #: 24 total cpu time spent up to now is 13.1 secs Computing kpt #: 25 total cpu time spent up to now is 13.5 secs Computing kpt #: 26 total cpu time spent up to now is 13.8 secs Computing kpt #: 27 total cpu time spent up to now is 14.1 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.7 secs Computing kpt #: 30 total cpu time spent up to now is 15.0 secs Computing kpt #: 31 total cpu time spent up to now is 15.3 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.0 secs Computing kpt #: 34 total cpu time spent up to now is 16.3 secs Computing kpt #: 35 total cpu time spent up to now is 16.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.9 secs Computing kpt #: 37 total cpu time spent up to now is 17.2 secs Computing kpt #: 38 total cpu time spent up to now is 17.5 secs Computing kpt #: 39 total cpu time spent up to now is 17.8 secs Computing kpt #: 40 total cpu time spent up to now is 18.1 secs Computing kpt #: 41 total cpu time spent up to now is 18.4 secs Computing kpt #: 42 total cpu time spent up to now is 18.7 secs Computing kpt #: 43 total cpu time spent up to now is 19.0 secs Computing kpt #: 44 total cpu time spent up to now is 19.2 secs Computing kpt #: 45 total cpu time spent up to now is 19.5 secs Computing kpt #: 46 total cpu time spent up to now is 19.8 secs Computing kpt #: 47 total cpu time spent up to now is 20.1 secs Computing kpt #: 48 total cpu time spent up to now is 20.3 secs Computing kpt #: 49 total cpu time spent up to now is 20.6 secs Computing kpt #: 50 total cpu time spent up to now is 20.9 secs Computing kpt #: 51 total cpu time spent up to now is 21.2 secs Computing kpt #: 52 total cpu time spent up to now is 21.4 secs Computing kpt #: 53 total cpu time spent up to now is 21.7 secs Computing kpt #: 54 total cpu time spent up to now is 22.0 secs Computing kpt #: 55 total cpu time spent up to now is 22.3 secs Computing kpt #: 56 total cpu time spent up to now is 22.6 secs Computing kpt #: 57 total cpu time spent up to now is 22.8 secs Computing kpt #: 58 total cpu time spent up to now is 23.1 secs Computing kpt #: 59 total cpu time spent up to now is 23.4 secs Computing kpt #: 60 total cpu time spent up to now is 23.7 secs Computing kpt #: 61 total cpu time spent up to now is 24.0 secs Computing kpt #: 62 total cpu time spent up to now is 24.3 secs Computing kpt #: 63 total cpu time spent up to now is 24.6 secs Computing kpt #: 64 total cpu time spent up to now is 25.0 secs Computing kpt #: 65 total cpu time spent up to now is 25.3 secs Computing kpt #: 66 total cpu time spent up to now is 25.6 secs Computing kpt #: 67 total cpu time spent up to now is 25.9 secs Computing kpt #: 68 total cpu time spent up to now is 26.2 secs Computing kpt #: 69 total cpu time spent up to now is 26.5 secs Computing kpt #: 70 total cpu time spent up to now is 26.8 secs Computing kpt #: 71 total cpu time spent up to now is 27.1 secs Computing kpt #: 72 total cpu time spent up to now is 27.4 secs Computing kpt #: 73 total cpu time spent up to now is 27.8 secs Computing kpt #: 74 total cpu time spent up to now is 28.1 secs Computing kpt #: 75 total cpu time spent up to now is 28.4 secs Computing kpt #: 76 total cpu time spent up to now is 28.7 secs Computing kpt #: 77 total cpu time spent up to now is 29.1 secs Computing kpt #: 78 total cpu time spent up to now is 29.5 secs Computing kpt #: 79 total cpu time spent up to now is 29.8 secs Computing kpt #: 80 total cpu time spent up to now is 30.2 secs Computing kpt #: 81 total cpu time spent up to now is 30.6 secs Computing kpt #: 82 total cpu time spent up to now is 31.0 secs Computing kpt #: 83 total cpu time spent up to now is 31.4 secs Computing kpt #: 84 total cpu time spent up to now is 31.7 secs Computing kpt #: 85 total cpu time spent up to now is 32.1 secs Computing kpt #: 86 total cpu time spent up to now is 32.5 secs Computing kpt #: 87 total cpu time spent up to now is 32.8 secs Computing kpt #: 88 total cpu time spent up to now is 33.1 secs Computing kpt #: 89 total cpu time spent up to now is 33.4 secs Computing kpt #: 90 total cpu time spent up to now is 33.7 secs Computing kpt #: 91 total cpu time spent up to now is 34.0 secs Computing kpt #: 92 total cpu time spent up to now is 34.3 secs Computing kpt #: 93 total cpu time spent up to now is 34.6 secs Computing kpt #: 94 total cpu time spent up to now is 34.9 secs Computing kpt #: 95 total cpu time spent up to now is 35.2 secs Computing kpt #: 96 total cpu time spent up to now is 35.5 secs Computing kpt #: 97 total cpu time spent up to now is 35.8 secs Computing kpt #: 98 total cpu time spent up to now is 36.2 secs Computing kpt #: 99 total cpu time spent up to now is 36.5 secs Computing kpt #: 100 total cpu time spent up to now is 36.9 secs Computing kpt #: 101 total cpu time spent up to now is 37.3 secs Computing kpt #: 102 total cpu time spent up to now is 37.6 secs Computing kpt #: 103 total cpu time spent up to now is 38.0 secs Computing kpt #: 104 total cpu time spent up to now is 38.3 secs Computing kpt #: 105 total cpu time spent up to now is 38.7 secs Computing kpt #: 106 total cpu time spent up to now is 39.1 secs Computing kpt #: 107 total cpu time spent up to now is 39.5 secs Computing kpt #: 108 total cpu time spent up to now is 39.8 secs Computing kpt #: 109 total cpu time spent up to now is 40.2 secs Computing kpt #: 110 total cpu time spent up to now is 40.6 secs Computing kpt #: 111 total cpu time spent up to now is 40.9 secs Computing kpt #: 112 total cpu time spent up to now is 41.3 secs Computing kpt #: 113 total cpu time spent up to now is 41.6 secs Computing kpt #: 114 total cpu time spent up to now is 41.9 secs Computing kpt #: 115 total cpu time spent up to now is 42.2 secs Computing kpt #: 116 total cpu time spent up to now is 42.5 secs Computing kpt #: 117 total cpu time spent up to now is 42.8 secs Computing kpt #: 118 total cpu time spent up to now is 43.2 secs Computing kpt #: 119 total cpu time spent up to now is 43.7 secs Computing kpt #: 120 total cpu time spent up to now is 44.1 secs Computing kpt #: 121 total cpu time spent up to now is 44.5 secs Computing kpt #: 122 total cpu time spent up to now is 44.9 secs Computing kpt #: 123 total cpu time spent up to now is 45.2 secs Computing kpt #: 124 total cpu time spent up to now is 45.5 secs Computing kpt #: 125 total cpu time spent up to now is 45.8 secs Computing kpt #: 126 total cpu time spent up to now is 46.2 secs Computing kpt #: 127 total cpu time spent up to now is 46.5 secs Computing kpt #: 128 total cpu time spent up to now is 46.9 secs Computing kpt #: 129 total cpu time spent up to now is 47.3 secs Computing kpt #: 130 total cpu time spent up to now is 47.6 secs Computing kpt #: 131 total cpu time spent up to now is 48.0 secs Computing kpt #: 132 total cpu time spent up to now is 48.4 secs Computing kpt #: 133 total cpu time spent up to now is 48.9 secs Computing kpt #: 134 total cpu time spent up to now is 49.7 secs Computing kpt #: 135 total cpu time spent up to now is 50.3 secs Computing kpt #: 136 total cpu time spent up to now is 50.8 secs Computing kpt #: 137 total cpu time spent up to now is 51.3 secs Computing kpt #: 138 total cpu time spent up to now is 51.9 secs Computing kpt #: 139 total cpu time spent up to now is 52.4 secs Computing kpt #: 140 total cpu time spent up to now is 53.0 secs Computing kpt #: 141 total cpu time spent up to now is 53.5 secs Computing kpt #: 142 total cpu time spent up to now is 54.1 secs Computing kpt #: 143 total cpu time spent up to now is 54.6 secs Computing kpt #: 144 total cpu time spent up to now is 55.1 secs Computing kpt #: 145 total cpu time spent up to now is 55.5 secs Computing kpt #: 146 total cpu time spent up to now is 56.1 secs Computing kpt #: 147 total cpu time spent up to now is 56.6 secs Computing kpt #: 148 total cpu time spent up to now is 57.2 secs Computing kpt #: 149 total cpu time spent up to now is 57.8 secs Computing kpt #: 150 total cpu time spent up to now is 58.4 secs Computing kpt #: 151 total cpu time spent up to now is 58.9 secs Computing kpt #: 152 total cpu time spent up to now is 59.5 secs Computing kpt #: 153 total cpu time spent up to now is 60.0 secs Computing kpt #: 154 total cpu time spent up to now is 60.5 secs Computing kpt #: 155 total cpu time spent up to now is 61.1 secs Computing kpt #: 156 total cpu time spent up to now is 61.6 secs Computing kpt #: 157 total cpu time spent up to now is 62.1 secs Computing kpt #: 158 total cpu time spent up to now is 62.5 secs Computing kpt #: 159 total cpu time spent up to now is 62.9 secs Computing kpt #: 160 total cpu time spent up to now is 63.4 secs Computing kpt #: 161 total cpu time spent up to now is 63.8 secs Computing kpt #: 162 total cpu time spent up to now is 64.2 secs Computing kpt #: 163 total cpu time spent up to now is 64.6 secs Computing kpt #: 164 total cpu time spent up to now is 65.1 secs Computing kpt #: 165 total cpu time spent up to now is 65.5 secs Computing kpt #: 166 total cpu time spent up to now is 65.9 secs Computing kpt #: 167 total cpu time spent up to now is 66.2 secs Computing kpt #: 168 total cpu time spent up to now is 66.7 secs Computing kpt #: 169 total cpu time spent up to now is 67.1 secs Computing kpt #: 170 total cpu time spent up to now is 67.4 secs Computing kpt #: 171 total cpu time spent up to now is 67.8 secs Computing kpt #: 172 total cpu time spent up to now is 68.2 secs Computing kpt #: 173 total cpu time spent up to now is 68.6 secs Computing kpt #: 174 total cpu time spent up to now is 69.0 secs Computing kpt #: 175 total cpu time spent up to now is 69.4 secs Computing kpt #: 176 total cpu time spent up to now is 69.7 secs Computing kpt #: 177 total cpu time spent up to now is 70.1 secs Computing kpt #: 178 total cpu time spent up to now is 70.5 secs Computing kpt #: 179 total cpu time spent up to now is 70.9 secs Computing kpt #: 180 total cpu time spent up to now is 71.3 secs Computing kpt #: 181 total cpu time spent up to now is 71.6 secs Computing kpt #: 182 total cpu time spent up to now is 72.0 secs Computing kpt #: 183 total cpu time spent up to now is 72.4 secs Computing kpt #: 184 total cpu time spent up to now is 72.8 secs Computing kpt #: 185 total cpu time spent up to now is 73.2 secs Computing kpt #: 186 total cpu time spent up to now is 73.6 secs Computing kpt #: 187 total cpu time spent up to now is 73.9 secs Computing kpt #: 188 total cpu time spent up to now is 74.3 secs Computing kpt #: 189 total cpu time spent up to now is 74.7 secs Computing kpt #: 190 total cpu time spent up to now is 75.0 secs Computing kpt #: 191 total cpu time spent up to now is 75.3 secs Computing kpt #: 192 total cpu time spent up to now is 75.6 secs Computing kpt #: 193 total cpu time spent up to now is 75.9 secs Computing kpt #: 194 total cpu time spent up to now is 76.2 secs Computing kpt #: 195 total cpu time spent up to now is 76.5 secs Computing kpt #: 196 total cpu time spent up to now is 76.8 secs Computing kpt #: 197 total cpu time spent up to now is 77.1 secs Computing kpt #: 198 total cpu time spent up to now is 77.4 secs Computing kpt #: 199 total cpu time spent up to now is 77.7 secs Computing kpt #: 200 total cpu time spent up to now is 78.0 secs Computing kpt #: 201 total cpu time spent up to now is 78.3 secs Computing kpt #: 202 total cpu time spent up to now is 78.6 secs Computing kpt #: 203 total cpu time spent up to now is 78.9 secs Computing kpt #: 204 total cpu time spent up to now is 79.1 secs Computing kpt #: 205 total cpu time spent up to now is 79.4 secs Computing kpt #: 206 total cpu time spent up to now is 79.7 secs Computing kpt #: 207 total cpu time spent up to now is 80.0 secs Computing kpt #: 208 total cpu time spent up to now is 80.3 secs Computing kpt #: 209 total cpu time spent up to now is 80.6 secs Computing kpt #: 210 total cpu time spent up to now is 80.9 secs Computing kpt #: 211 total cpu time spent up to now is 81.2 secs Computing kpt #: 212 total cpu time spent up to now is 81.6 secs Computing kpt #: 213 total cpu time spent up to now is 81.9 secs Computing kpt #: 214 total cpu time spent up to now is 82.3 secs Computing kpt #: 215 total cpu time spent up to now is 82.7 secs Computing kpt #: 216 total cpu time spent up to now is 83.2 secs Computing kpt #: 217 total cpu time spent up to now is 83.8 secs Computing kpt #: 218 total cpu time spent up to now is 84.4 secs Computing kpt #: 219 total cpu time spent up to now is 84.8 secs Computing kpt #: 220 total cpu time spent up to now is 85.2 secs Computing kpt #: 221 total cpu time spent up to now is 85.6 secs Computing kpt #: 222 total cpu time spent up to now is 86.0 secs Computing kpt #: 223 total cpu time spent up to now is 86.3 secs Computing kpt #: 224 total cpu time spent up to now is 86.7 secs Computing kpt #: 225 total cpu time spent up to now is 87.1 secs Computing kpt #: 226 total cpu time spent up to now is 87.5 secs Computing kpt #: 227 total cpu time spent up to now is 87.9 secs Computing kpt #: 228 total cpu time spent up to now is 88.3 secs Computing kpt #: 229 total cpu time spent up to now is 88.6 secs Computing kpt #: 230 total cpu time spent up to now is 89.0 secs Computing kpt #: 231 total cpu time spent up to now is 89.4 secs Computing kpt #: 232 total cpu time spent up to now is 89.7 secs Computing kpt #: 233 total cpu time spent up to now is 90.1 secs Computing kpt #: 234 total cpu time spent up to now is 90.4 secs Computing kpt #: 235 total cpu time spent up to now is 90.7 secs Computing kpt #: 236 total cpu time spent up to now is 91.0 secs Computing kpt #: 237 total cpu time spent up to now is 91.3 secs Computing kpt #: 238 total cpu time spent up to now is 91.6 secs Computing kpt #: 239 total cpu time spent up to now is 92.0 secs Computing kpt #: 240 total cpu time spent up to now is 92.3 secs Computing kpt #: 241 total cpu time spent up to now is 92.6 secs Computing kpt #: 242 total cpu time spent up to now is 92.9 secs Computing kpt #: 243 total cpu time spent up to now is 93.2 secs Computing kpt #: 244 total cpu time spent up to now is 93.4 secs Computing kpt #: 245 total cpu time spent up to now is 93.7 secs Computing kpt #: 246 total cpu time spent up to now is 94.0 secs Computing kpt #: 247 total cpu time spent up to now is 94.3 secs Computing kpt #: 248 total cpu time spent up to now is 94.7 secs Computing kpt #: 249 total cpu time spent up to now is 95.1 secs Computing kpt #: 250 total cpu time spent up to now is 95.4 secs Computing kpt #: 251 total cpu time spent up to now is 95.8 secs Computing kpt #: 252 total cpu time spent up to now is 96.1 secs Computing kpt #: 253 total cpu time spent up to now is 96.5 secs Computing kpt #: 254 total cpu time spent up to now is 96.8 secs Computing kpt #: 255 total cpu time spent up to now is 97.2 secs Computing kpt #: 256 total cpu time spent up to now is 97.6 secs Computing kpt #: 257 total cpu time spent up to now is 97.9 secs Computing kpt #: 258 total cpu time spent up to now is 98.3 secs Computing kpt #: 259 total cpu time spent up to now is 98.7 secs Computing kpt #: 260 total cpu time spent up to now is 99.0 secs Computing kpt #: 261 total cpu time spent up to now is 99.4 secs Computing kpt #: 262 total cpu time spent up to now is 99.7 secs Computing kpt #: 263 total cpu time spent up to now is 100.0 secs Computing kpt #: 264 total cpu time spent up to now is 100.3 secs Computing kpt #: 265 total cpu time spent up to now is 100.6 secs Computing kpt #: 266 total cpu time spent up to now is 100.9 secs Computing kpt #: 267 total cpu time spent up to now is 101.3 secs Computing kpt #: 268 total cpu time spent up to now is 101.7 secs Computing kpt #: 269 total cpu time spent up to now is 102.0 secs Computing kpt #: 270 total cpu time spent up to now is 102.4 secs Computing kpt #: 271 total cpu time spent up to now is 102.7 secs Computing kpt #: 272 total cpu time spent up to now is 103.1 secs Computing kpt #: 273 total cpu time spent up to now is 103.5 secs Computing kpt #: 274 total cpu time spent up to now is 103.8 secs Computing kpt #: 275 total cpu time spent up to now is 104.2 secs Computing kpt #: 276 total cpu time spent up to now is 104.5 secs Computing kpt #: 277 total cpu time spent up to now is 104.9 secs Computing kpt #: 278 total cpu time spent up to now is 105.3 secs Computing kpt #: 279 total cpu time spent up to now is 105.6 secs Computing kpt #: 280 total cpu time spent up to now is 106.0 secs Computing kpt #: 281 total cpu time spent up to now is 106.3 secs Computing kpt #: 282 total cpu time spent up to now is 106.7 secs Computing kpt #: 283 total cpu time spent up to now is 107.0 secs Computing kpt #: 284 total cpu time spent up to now is 107.4 secs Computing kpt #: 285 total cpu time spent up to now is 107.8 secs Computing kpt #: 286 total cpu time spent up to now is 108.1 secs Computing kpt #: 287 total cpu time spent up to now is 108.4 secs Computing kpt #: 288 total cpu time spent up to now is 108.7 secs Computing kpt #: 289 total cpu time spent up to now is 109.0 secs Computing kpt #: 290 total cpu time spent up to now is 109.3 secs Computing kpt #: 291 total cpu time spent up to now is 109.6 secs Computing kpt #: 292 total cpu time spent up to now is 109.9 secs Computing kpt #: 293 total cpu time spent up to now is 110.3 secs Computing kpt #: 294 total cpu time spent up to now is 110.6 secs Computing kpt #: 295 total cpu time spent up to now is 110.9 secs Computing kpt #: 296 total cpu time spent up to now is 111.2 secs Computing kpt #: 297 total cpu time spent up to now is 111.5 secs Computing kpt #: 298 total cpu time spent up to now is 111.8 secs Computing kpt #: 299 total cpu time spent up to now is 112.1 secs Computing kpt #: 300 total cpu time spent up to now is 112.4 secs Computing kpt #: 301 total cpu time spent up to now is 112.7 secs Computing kpt #: 302 total cpu time spent up to now is 113.1 secs Computing kpt #: 303 total cpu time spent up to now is 113.4 secs Computing kpt #: 304 total cpu time spent up to now is 113.7 secs Computing kpt #: 305 total cpu time spent up to now is 114.0 secs Computing kpt #: 306 total cpu time spent up to now is 114.3 secs Computing kpt #: 307 total cpu time spent up to now is 114.6 secs Computing kpt #: 308 total cpu time spent up to now is 114.9 secs Computing kpt #: 309 total cpu time spent up to now is 115.2 secs Computing kpt #: 310 total cpu time spent up to now is 115.6 secs Computing kpt #: 311 total cpu time spent up to now is 116.0 secs Computing kpt #: 312 total cpu time spent up to now is 116.3 secs Computing kpt #: 313 total cpu time spent up to now is 116.7 secs Computing kpt #: 314 total cpu time spent up to now is 117.1 secs Computing kpt #: 315 total cpu time spent up to now is 117.5 secs Computing kpt #: 316 total cpu time spent up to now is 118.0 secs Computing kpt #: 317 total cpu time spent up to now is 118.5 secs Computing kpt #: 318 total cpu time spent up to now is 119.1 secs Computing kpt #: 319 total cpu time spent up to now is 119.6 secs Computing kpt #: 320 total cpu time spent up to now is 120.2 secs Computing kpt #: 321 total cpu time spent up to now is 120.7 secs Computing kpt #: 322 total cpu time spent up to now is 121.2 secs Computing kpt #: 323 total cpu time spent up to now is 121.5 secs Computing kpt #: 324 total cpu time spent up to now is 121.8 secs Computing kpt #: 325 total cpu time spent up to now is 122.0 secs Computing kpt #: 326 total cpu time spent up to now is 122.3 secs Computing kpt #: 327 total cpu time spent up to now is 122.6 secs Computing kpt #: 328 total cpu time spent up to now is 122.9 secs Computing kpt #: 329 total cpu time spent up to now is 123.2 secs Computing kpt #: 330 total cpu time spent up to now is 123.4 secs Computing kpt #: 331 total cpu time spent up to now is 123.7 secs Computing kpt #: 332 total cpu time spent up to now is 124.0 secs Computing kpt #: 333 total cpu time spent up to now is 124.3 secs Computing kpt #: 334 total cpu time spent up to now is 124.6 secs Computing kpt #: 335 total cpu time spent up to now is 124.9 secs Computing kpt #: 336 total cpu time spent up to now is 125.2 secs Computing kpt #: 337 total cpu time spent up to now is 125.5 secs Computing kpt #: 338 total cpu time spent up to now is 125.8 secs Computing kpt #: 339 total cpu time spent up to now is 126.1 secs Computing kpt #: 340 total cpu time spent up to now is 126.4 secs Computing kpt #: 341 total cpu time spent up to now is 126.8 secs Computing kpt #: 342 total cpu time spent up to now is 127.1 secs ethr = 4.17E-08, avg # of iterations = 24.3 total cpu time spent up to now is 127.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4708 -11.4708 -10.7064 -10.7064 -1.0541 -1.0541 1.7465 1.7465 1.8311 1.8311 2.1158 2.1158 2.2326 2.2326 2.3010 2.3010 7.6608 7.6608 9.4299 9.4299 12.5235 12.5235 12.5356 12.5356 k = 0.0096-0.0145-0.0089 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4703 -11.4703 -10.7062 -10.7062 -1.0533 -1.0533 1.7448 1.7448 1.8294 1.8294 2.1140 2.1140 2.2305 2.2305 2.3003 2.3003 7.6649 7.6649 9.4336 9.4336 12.5193 12.5193 12.5343 12.5343 k = 0.0192-0.0289-0.0177 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4687 -11.4687 -10.7055 -10.7055 -1.0508 -1.0508 1.7395 1.7395 1.8245 1.8245 2.1085 2.1085 2.2244 2.2244 2.2984 2.2984 7.6769 7.6769 9.4450 9.4450 12.5002 12.5002 12.5375 12.5375 k = 0.0288-0.0434-0.0266 ( 3390 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4660 -11.4660 -10.7043 -10.7043 -1.0466 -1.0466 1.7302 1.7302 1.8169 1.8169 2.0986 2.0986 2.2149 2.2149 2.2953 2.2953 7.6968 7.6968 9.4637 9.4637 12.4667 12.4667 12.5455 12.5455 k = 0.0385-0.0579-0.0354 ( 3397 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.4622 -11.4622 -10.7028 -10.7028 -1.0408 -1.0408 1.7161 1.7161 1.8076 1.8076 2.0835 2.0835 2.2028 2.2028 2.2913 2.2913 7.7243 7.7243 9.4897 9.4897 12.4220 12.4220 12.5571 12.5571 k = 0.0481-0.0723-0.0443 ( 3400 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0429 -38.0429 -38.0385 -38.0385 -11.4573 -11.4573 -10.7007 -10.7007 -1.0333 -1.0333 1.6964 1.6964 1.7975 1.7975 2.0623 2.0623 2.1894 2.1894 2.2865 2.2865 7.7591 7.7591 9.5228 9.5228 12.3681 12.3681 12.5722 12.5722 k = 0.0577-0.0868-0.0532 ( 3403 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0430 -38.0430 -38.0385 -38.0385 -11.4514 -11.4514 -10.6983 -10.6983 -1.0242 -1.0242 1.6707 1.6707 1.7871 1.7871 2.0342 2.0342 2.1757 2.1757 2.2808 2.2808 7.8009 7.8009 9.5626 9.5626 12.3068 12.3068 12.5903 12.5903 k = 0.0673-0.1013-0.0620 ( 3405 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0430 -38.0430 -38.0385 -38.0385 -11.4445 -11.4445 -10.6954 -10.6954 -1.0135 -1.0135 1.6392 1.6392 1.7767 1.7767 1.9992 1.9992 2.1622 2.1622 2.2743 2.2743 7.8491 7.8491 9.6088 9.6088 12.2399 12.2399 12.6114 12.6114 k = 0.0769-0.1158-0.0709 ( 3411 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0431 -38.0431 -38.0385 -38.0385 -11.4365 -11.4365 -10.6921 -10.6921 -1.0013 -1.0013 1.6021 1.6021 1.7662 1.7662 1.9576 1.9576 2.1490 2.1490 2.2670 2.2670 7.9033 7.9033 9.6610 9.6610 12.1688 12.1688 12.6352 12.6352 k = 0.0865-0.1302-0.0798 ( 3419 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0432 -38.0432 -38.0385 -38.0385 -11.4276 -11.4276 -10.6885 -10.6885 -0.9874 -0.9874 1.5599 1.5599 1.7554 1.7554 1.9102 1.9102 2.1359 2.1359 2.2587 2.2587 7.9630 7.9630 9.7186 9.7186 12.0947 12.0947 12.6615 12.6615 k = 0.0962-0.1447-0.0886 ( 3419 PWs) bands (ev): -71.3886 -71.3886 -38.3294 -38.3294 -38.0433 -38.0433 -38.0385 -38.0385 -11.4176 -11.4176 -10.6844 -10.6844 -0.9720 -0.9720 1.5130 1.5130 1.7441 1.7441 1.8579 1.8579 2.1227 2.1227 2.2496 2.2496 8.0276 8.0276 9.7812 9.7812 12.0190 12.0190 12.6900 12.6900 k = 0.1058-0.1592-0.0975 ( 3421 PWs) bands (ev): -71.3886 -71.3886 -38.3294 -38.3294 -38.0433 -38.0433 -38.0385 -38.0385 -11.4066 -11.4066 -10.6800 -10.6800 -0.9552 -0.9552 1.4620 1.4620 1.7318 1.7318 1.8018 1.8018 2.1091 2.1091 2.2396 2.2396 8.0965 8.0965 9.8480 9.8480 11.9426 11.9426 12.7206 12.7206 k = 0.1154-0.1736-0.1063 ( 3419 PWs) bands (ev): -71.3886 -71.3886 -38.3294 -38.3294 -38.0434 -38.0434 -38.0385 -38.0385 -11.3947 -11.3947 -10.6753 -10.6753 -0.9368 -0.9368 1.4072 1.4072 1.7153 1.7153 1.7457 1.7457 2.0951 2.0951 2.2287 2.2287 8.1692 8.1692 9.9182 9.9182 11.8666 11.8666 12.7528 12.7528 k = 0.1250-0.1881-0.1152 ( 3415 PWs) bands (ev): -71.3886 -71.3886 -38.3295 -38.3295 -38.0435 -38.0435 -38.0385 -38.0385 -11.3819 -11.3819 -10.6702 -10.6702 -0.9171 -0.9171 1.3491 1.3491 1.6705 1.6705 1.7143 1.7143 2.0806 2.0806 2.2169 2.2169 8.2449 8.2449 9.9911 9.9911 11.7920 11.7920 12.7861 12.7861 k = 0.1346-0.2026-0.1241 ( 3414 PWs) bands (ev): -71.3886 -71.3886 -38.3295 -38.3295 -38.0436 -38.0436 -38.0385 -38.0385 -11.3682 -11.3682 -10.6649 -10.6649 -0.8960 -0.8960 1.2879 1.2879 1.6064 1.6064 1.6992 1.6992 2.0656 2.0656 2.2041 2.2041 8.3232 8.3232 10.0655 10.0655 11.7199 11.7199 12.7237 12.7237 k = 0.1442-0.2170-0.1329 ( 3416 PWs) bands (ev): -71.3886 -71.3886 -38.3296 -38.3296 -38.0437 -38.0437 -38.0386 -38.0386 -11.3536 -11.3536 -10.6593 -10.6593 -0.8735 -0.8735 1.2241 1.2241 1.5386 1.5386 1.6852 1.6852 2.0499 2.0499 2.1904 2.1904 8.4034 8.4034 10.1400 10.1400 11.6514 11.6514 12.6548 12.6548 k = 0.1538-0.2315-0.1418 ( 3416 PWs) bands (ev): -71.3886 -71.3886 -38.3297 -38.3297 -38.0438 -38.0438 -38.0386 -38.0386 -11.3382 -11.3382 -10.6535 -10.6535 -0.8499 -0.8499 1.1580 1.1580 1.4689 1.4689 1.6712 1.6712 2.0338 2.0338 2.1757 2.1757 8.4850 8.4850 10.2133 10.2133 11.5880 11.5880 12.5868 12.5868 k = 0.1635-0.2460-0.1507 ( 3419 PWs) bands (ev): -71.3886 -71.3886 -38.3297 -38.3297 -38.0439 -38.0439 -38.0386 -38.0386 -11.3219 -11.3219 -10.6474 -10.6474 -0.8251 -0.8251 1.0900 1.0900 1.3980 1.3980 1.6569 1.6569 2.0171 2.0171 2.1600 2.1600 8.5672 8.5672 10.2832 10.2832 11.5310 11.5310 12.5205 12.5205 k = 0.1731-0.2604-0.1595 ( 3422 PWs) bands (ev): -71.3886 -71.3886 -38.3298 -38.3298 -38.0440 -38.0440 -38.0386 -38.0386 -11.3049 -11.3049 -10.6413 -10.6413 -0.7992 -0.7992 1.0204 1.0204 1.3263 1.3263 1.6424 1.6424 1.9999 1.9999 2.1434 2.1434 8.6495 8.6495 10.3476 10.3476 11.4822 11.4822 12.4568 12.4568 k = 0.1827-0.2749-0.1684 ( 3414 PWs) bands (ev): -71.3885 -71.3885 -38.3298 -38.3298 -38.0441 -38.0441 -38.0386 -38.0386 -11.2872 -11.2872 -10.6349 -10.6349 -0.7723 -0.7723 0.9496 0.9496 1.2543 1.2543 1.6275 1.6275 1.9823 1.9823 2.1259 2.1259 8.7312 8.7312 10.4039 10.4039 11.4435 11.4435 12.3966 12.3966 k = 0.1923-0.2894-0.1772 ( 3410 PWs) bands (ev): -71.3885 -71.3885 -38.3299 -38.3299 -38.0442 -38.0442 -38.0386 -38.0386 -11.2688 -11.2688 -10.6285 -10.6285 -0.7446 -0.7446 0.8779 0.8779 1.1823 1.1823 1.6125 1.6125 1.9644 1.9644 2.1073 2.1073 8.8118 8.8118 10.4495 10.4495 11.4165 11.4165 12.3408 12.3408 k = 0.2019-0.3039-0.1861 ( 3404 PWs) bands (ev): -71.3885 -71.3885 -38.3300 -38.3300 -38.0443 -38.0443 -38.0386 -38.0386 -11.2497 -11.2497 -10.6220 -10.6220 -0.7162 -0.7162 0.8056 0.8056 1.1107 1.1107 1.5972 1.5972 1.9461 1.9461 2.0878 2.0878 8.8905 8.8905 10.4821 10.4821 11.4019 11.4019 12.2910 12.2910 k = 0.2115-0.3183-0.1950 ( 3398 PWs) bands (ev): -71.3885 -71.3885 -38.3300 -38.3300 -38.0444 -38.0444 -38.0386 -38.0386 -11.2301 -11.2301 -10.6155 -10.6155 -0.6872 -0.6872 0.7332 0.7332 1.0397 1.0397 1.5819 1.5819 1.9275 1.9275 2.0673 2.0673 8.9666 8.9666 10.5011 10.5011 11.3990 11.3990 12.2485 12.2485 k = 0.2212-0.3328-0.2038 ( 3406 PWs) bands (ev): -71.3885 -71.3885 -38.3301 -38.3301 -38.0446 -38.0446 -38.0386 -38.0386 -11.2098 -11.2098 -10.6090 -10.6090 -0.6580 -0.6580 0.6609 0.6609 0.9699 0.9699 1.5664 1.5664 1.9087 1.9087 2.0459 2.0459 9.0396 9.0396 10.5071 10.5071 11.4049 11.4049 12.2154 12.2154 k = 0.2308-0.3473-0.2127 ( 3403 PWs) bands (ev): -71.3885 -71.3885 -38.3302 -38.3302 -38.0447 -38.0447 -38.0386 -38.0386 -11.1891 -11.1891 -10.6026 -10.6026 -0.6287 -0.6287 0.5892 0.5892 0.9014 0.9014 1.5509 1.5509 1.8897 1.8897 2.0235 2.0235 9.1086 9.1086 10.5024 10.5024 11.4151 11.4151 12.1935 12.1935 k = 0.2404-0.3617-0.2216 ( 3403 PWs) bands (ev): -71.3885 -71.3885 -38.3302 -38.3302 -38.0448 -38.0448 -38.0387 -38.0387 -11.1679 -11.1679 -10.5963 -10.5963 -0.5996 -0.5996 0.5184 0.5184 0.8347 0.8347 1.5355 1.5355 1.8706 1.8706 2.0002 2.0002 9.1729 9.1729 10.4900 10.4900 11.4245 11.4245 12.1844 12.1844 k = 0.2500-0.3762-0.2304 ( 3403 PWs) bands (ev): -71.3885 -71.3885 -38.3303 -38.3303 -38.0450 -38.0450 -38.0387 -38.0387 -11.1463 -11.1463 -10.5901 -10.5901 -0.5711 -0.5711 0.4489 0.4489 0.7701 0.7701 1.5201 1.5201 1.8514 1.8514 1.9759 1.9759 9.2318 9.2318 10.4729 10.4729 11.4291 11.4291 12.1886 12.1886 k = 0.2596-0.3907-0.2393 ( 3395 PWs) bands (ev): -71.3885 -71.3885 -38.3304 -38.3304 -38.0451 -38.0451 -38.0387 -38.0387 -11.1244 -11.1244 -10.5841 -10.5841 -0.5438 -0.5438 0.3813 0.3813 0.7081 0.7081 1.5049 1.5049 1.8321 1.8321 1.9508 1.9508 9.2846 9.2846 10.4538 10.4538 11.4264 11.4264 12.2047 12.2047 k = 0.2692-0.4051-0.2481 ( 3398 PWs) bands (ev): -71.3885 -71.3885 -38.3304 -38.3304 -38.0452 -38.0452 -38.0387 -38.0387 -11.1022 -11.1022 -10.5784 -10.5784 -0.5182 -0.5182 0.3158 0.3158 0.6491 0.6491 1.4899 1.4899 1.8127 1.8127 1.9249 1.9249 9.3306 9.3306 10.4347 10.4347 11.4161 11.4161 12.2296 12.2296 k = 0.2788-0.4196-0.2570 ( 3394 PWs) bands (ev): -71.3884 -71.3884 -38.3305 -38.3305 -38.0453 -38.0453 -38.0387 -38.0387 -11.0797 -11.0797 -10.5729 -10.5729 -0.4951 -0.4951 0.2531 0.2531 0.5938 0.5938 1.4750 1.4750 1.7932 1.7932 1.8982 1.8982 9.3695 9.3695 10.4173 10.4173 11.3992 11.3992 12.2588 12.2588 k = 0.2885-0.4341-0.2659 ( 3394 PWs) bands (ev): -71.3884 -71.3884 -38.3306 -38.3306 -38.0455 -38.0455 -38.0387 -38.0387 -11.0570 -11.0570 -10.5678 -10.5678 -0.4755 -0.4755 0.1937 0.1937 0.5428 0.5428 1.4605 1.4605 1.7735 1.7735 1.8710 1.8710 9.4008 9.4008 10.4025 10.4025 11.3774 11.3774 12.2870 12.2870 k = 0.2981-0.4485-0.2747 ( 3394 PWs) bands (ev): -71.3884 -71.3884 -38.3306 -38.3306 -38.0456 -38.0456 -38.0387 -38.0387 -11.0343 -11.0343 -10.5630 -10.5630 -0.4604 -0.4604 0.1381 0.1381 0.4969 0.4969 1.4463 1.4463 1.7535 1.7535 1.8435 1.8435 9.4245 9.4245 10.3911 10.3911 11.3524 11.3524 12.3094 12.3094 k = 0.3077-0.4630-0.2836 ( 3396 PWs) bands (ev): -71.3884 -71.3884 -38.3307 -38.3307 -38.0457 -38.0457 -38.0387 -38.0387 -11.0114 -11.0114 -10.5587 -10.5587 -0.4510 -0.4510 0.0867 0.0867 0.4573 0.4573 1.4325 1.4325 1.7328 1.7328 1.8160 1.8160 9.4409 9.4409 10.3831 10.3831 11.3256 11.3256 12.3218 12.3218 k = 0.3173-0.4775-0.2924 ( 3398 PWs) bands (ev): -71.3884 -71.3884 -38.3308 -38.3308 -38.0458 -38.0458 -38.0387 -38.0387 -10.9886 -10.9886 -10.5548 -10.5548 -0.4484 -0.4484 0.0397 0.0397 0.4249 0.4249 1.4191 1.4191 1.7111 1.7111 1.7890 1.7890 9.4506 9.4506 10.3784 10.3784 11.2979 11.2979 12.3220 12.3220 k = 0.3269-0.4920-0.3013 ( 3394 PWs) bands (ev): -71.3884 -71.3884 -38.3308 -38.3308 -38.0459 -38.0459 -38.0387 -38.0387 -10.9658 -10.9658 -10.5514 -10.5514 -0.4532 -0.4532 -0.0029 -0.0029 0.4008 0.4008 1.4061 1.4061 1.6876 1.6876 1.7632 1.7632 9.4543 9.4543 10.3763 10.3763 11.2703 11.2703 12.3097 12.3097 k = 0.3365-0.5064-0.3102 ( 3396 PWs) bands (ev): -71.3884 -71.3884 -38.3309 -38.3309 -38.0461 -38.0461 -38.0387 -38.0387 -10.9431 -10.9431 -10.5486 -10.5486 -0.4654 -0.4654 -0.0417 -0.0417 0.3858 0.3858 1.3936 1.3936 1.6619 1.6619 1.7393 1.7393 9.4528 9.4528 10.3764 10.3764 11.2433 11.2433 12.2868 12.2868 k = 0.3462-0.5209-0.3190 ( 3392 PWs) bands (ev): -71.3884 -71.3884 -38.3309 -38.3309 -38.0462 -38.0462 -38.0387 -38.0387 -10.9207 -10.9207 -10.5464 -10.5464 -0.4844 -0.4844 -0.0777 -0.0777 0.3800 0.3800 1.3817 1.3817 1.6336 1.6336 1.7177 1.7177 9.4474 9.4474 10.3778 10.3778 11.2171 11.2171 12.2558 12.2558 k = 0.3558-0.5354-0.3279 ( 3388 PWs) bands (ev): -71.3884 -71.3884 -38.3310 -38.3310 -38.0463 -38.0463 -38.0387 -38.0387 -10.8984 -10.8984 -10.5448 -10.5448 -0.5086 -0.5086 -0.1116 -0.1116 0.3833 0.3833 1.3702 1.3702 1.6027 1.6027 1.6985 1.6985 9.4387 9.4387 10.3800 10.3800 11.1922 11.1922 12.2194 12.2194 k = 0.3654-0.5498-0.3368 ( 3393 PWs) bands (ev): -71.3884 -71.3884 -38.3311 -38.3311 -38.0464 -38.0464 -38.0387 -38.0387 -10.8765 -10.8765 -10.5440 -10.5440 -0.5366 -0.5366 -0.1440 -0.1440 0.3948 0.3948 1.3594 1.3594 1.5696 1.5696 1.6813 1.6813 9.4278 9.4278 10.3824 10.3824 11.1686 11.1686 12.1798 12.1798 k = 0.3750-0.5643-0.3456 ( 3390 PWs) bands (ev): -71.3884 -71.3884 -38.3311 -38.3311 -38.0465 -38.0465 -38.0387 -38.0387 -10.8550 -10.8550 -10.5438 -10.5438 -0.5669 -0.5669 -0.1754 -0.1754 0.4134 0.4134 1.3491 1.3491 1.5347 1.5347 1.6658 1.6658 9.4155 9.4155 10.3846 10.3846 11.1465 11.1465 12.1391 12.1391 k = 0.3846-0.5788-0.3545 ( 3386 PWs) bands (ev): -71.3884 -71.3884 -38.3312 -38.3312 -38.0466 -38.0466 -38.0387 -38.0387 -10.8339 -10.8339 -10.5443 -10.5443 -0.5980 -0.5980 -0.2056 -0.2056 0.4378 0.4378 1.3393 1.3393 1.4984 1.4984 1.6518 1.6518 9.4023 9.4023 10.3864 10.3864 11.1259 11.1259 12.0984 12.0984 k = 0.3942-0.5932-0.3633 ( 3388 PWs) bands (ev): -71.3884 -71.3884 -38.3312 -38.3312 -38.0467 -38.0467 -38.0387 -38.0387 -10.8133 -10.8133 -10.5457 -10.5457 -0.6290 -0.6290 -0.2344 -0.2344 0.4669 0.4669 1.3301 1.3301 1.4611 1.4611 1.6392 1.6392 9.3888 9.3888 10.3877 10.3877 11.1068 11.1068 12.0588 12.0588 k = 0.4038-0.6077-0.3722 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3312 -38.3312 -38.0467 -38.0467 -38.0387 -38.0387 -10.7932 -10.7932 -10.5478 -10.5478 -0.6589 -0.6589 -0.2617 -0.2617 0.4997 0.4997 1.3213 1.3213 1.4231 1.4231 1.6278 1.6278 9.3754 9.3754 10.3883 10.3883 11.0894 11.0894 12.0211 12.0211 k = 0.4135-0.6222-0.3811 ( 3387 PWs) bands (ev): -71.3883 -71.3883 -38.3313 -38.3313 -38.0468 -38.0468 -38.0387 -38.0387 -10.7739 -10.7739 -10.5507 -10.5507 -0.6873 -0.6873 -0.2871 -0.2871 0.5351 0.5351 1.3126 1.3126 1.3850 1.3850 1.6175 1.6175 9.3626 9.3626 10.3884 10.3884 11.0734 11.0734 11.9858 11.9858 k = 0.4231-0.6366-0.3899 ( 3383 PWs) bands (ev): -71.3883 -71.3883 -38.3313 -38.3313 -38.0469 -38.0469 -38.0387 -38.0387 -10.7552 -10.7552 -10.5545 -10.5545 -0.7136 -0.7136 -0.3105 -0.3105 0.5726 0.5726 1.3026 1.3026 1.3486 1.3486 1.6083 1.6083 9.3506 9.3506 10.3880 10.3880 11.0591 11.0591 11.9535 11.9535 k = 0.4327-0.6511-0.3988 ( 3381 PWs) bands (ev): -71.3883 -71.3883 -38.3313 -38.3313 -38.0469 -38.0469 -38.0387 -38.0387 -10.7373 -10.7373 -10.5590 -10.5590 -0.7375 -0.7375 -0.3315 -0.3315 0.6114 0.6114 1.2851 1.2851 1.3199 1.3199 1.6002 1.6002 9.3395 9.3395 10.3872 10.3872 11.0464 11.0464 11.9243 11.9243 k = 0.4423-0.6656-0.4077 ( 3377 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0470 -38.0470 -38.0387 -38.0387 -10.7203 -10.7203 -10.5643 -10.5643 -0.7586 -0.7586 -0.3500 -0.3500 0.6508 0.6508 1.2539 1.2539 1.3060 1.3060 1.5932 1.5932 9.3297 9.3297 10.3862 10.3862 11.0354 11.0354 11.8986 11.8986 k = 0.4519-0.6801-0.4165 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0470 -38.0470 -38.0387 -38.0387 -10.7043 -10.7043 -10.5703 -10.5703 -0.7768 -0.7768 -0.3659 -0.3659 0.6900 0.6900 1.2173 1.2173 1.2989 1.2989 1.5872 1.5872 9.3211 9.3211 10.3850 10.3850 11.0260 11.0260 11.8766 11.8766 k = 0.4615-0.6945-0.4254 ( 3393 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0388 -38.0388 -10.6895 -10.6895 -10.5768 -10.5768 -0.7919 -0.7919 -0.3791 -0.3791 0.7281 0.7281 1.1804 1.1804 1.2942 1.2942 1.5824 1.5824 9.3140 9.3140 10.3839 10.3839 11.0182 11.0182 11.8584 11.8584 k = 0.4712-0.7090-0.4342 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0388 -38.0388 -10.6762 -10.6762 -10.5836 -10.5836 -0.8038 -0.8038 -0.3894 -0.3894 0.7634 0.7634 1.1458 1.1458 1.2908 1.2908 1.5786 1.5786 9.3084 9.3084 10.3829 10.3829 11.0122 11.0122 11.8440 11.8440 k = 0.4808-0.7235-0.4431 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6651 -10.6651 -10.5901 -10.5901 -0.8123 -0.8123 -0.3969 -0.3969 0.7938 0.7938 1.1160 1.1160 1.2885 1.2885 1.5759 1.5759 9.3044 9.3044 10.3822 10.3822 11.0078 11.0078 11.8338 11.8338 k = 0.4904-0.7379-0.4520 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0387 -38.0387 -10.6572 -10.6572 -10.5952 -10.5952 -0.8174 -0.8174 -0.4013 -0.4013 0.8153 0.8153 1.0949 1.0949 1.2871 1.2871 1.5743 1.5743 9.3019 9.3019 10.3817 10.3817 11.0052 11.0052 11.8276 11.8276 k = 0.5000-0.7524-0.4608 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6542 -10.6542 -10.5973 -10.5973 -0.8191 -0.8191 -0.4028 -0.4028 0.8232 0.8232 1.0870 1.0870 1.2867 1.2867 1.5737 1.5737 9.3011 9.3011 10.3815 10.3815 11.0044 11.0044 11.8256 11.8256 k = 0.5000-0.7524-0.4608 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6542 -10.6542 -10.5973 -10.5973 -0.8191 -0.8191 -0.4028 -0.4028 0.8232 0.8232 1.0870 1.0870 1.2867 1.2867 1.5737 1.5737 9.3011 9.3011 10.3815 10.3815 11.0044 11.0044 11.8256 11.8256 k = 0.5000-0.7421-0.4776 ( 3382 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6540 -10.6540 -10.5971 -10.5971 -0.8183 -0.8183 -0.4021 -0.4021 0.8225 0.8225 1.0829 1.0829 1.2883 1.2883 1.5724 1.5724 9.3044 9.3044 10.3859 10.3859 11.0064 11.0064 11.8246 11.8246 k = 0.5000-0.7319-0.4944 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6535 -10.6535 -10.5967 -10.5967 -0.8160 -0.8160 -0.4000 -0.4000 0.8202 0.8202 1.0709 1.0709 1.2929 1.2929 1.5687 1.5687 9.3141 9.3141 10.3990 10.3990 11.0124 11.0124 11.8218 11.8218 k = 0.5000-0.7216-0.5111 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6525 -10.6525 -10.5960 -10.5960 -0.8120 -0.8120 -0.3965 -0.3965 0.8164 0.8164 1.0519 1.0519 1.2996 1.2996 1.5626 1.5626 9.3300 9.3300 10.4207 10.4207 11.0224 11.0224 11.8172 11.8172 k = 0.5000-0.7113-0.5279 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6512 -10.6512 -10.5951 -10.5951 -0.8065 -0.8065 -0.3916 -0.3916 0.8108 0.8108 1.0270 1.0270 1.3076 1.3076 1.5543 1.5543 9.3517 9.3517 10.4506 10.4506 11.0367 11.0367 11.8109 11.8109 k = 0.5000-0.7011-0.5447 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6496 -10.6496 -10.5939 -10.5939 -0.7995 -0.7995 -0.3853 -0.3853 0.8035 0.8035 0.9968 0.9968 1.3163 1.3163 1.5442 1.5442 9.3786 9.3786 10.4884 10.4884 11.0553 11.0553 11.8032 11.8032 k = 0.5000-0.6908-0.5614 ( 3382 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6476 -10.6476 -10.5925 -10.5925 -0.7910 -0.7910 -0.3776 -0.3776 0.7942 0.7942 0.9622 0.9622 1.3253 1.3253 1.5327 1.5327 9.4101 9.4101 10.5335 10.5335 11.0783 11.0783 11.7944 11.7944 k = 0.5000-0.6805-0.5782 ( 3378 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6452 -10.6452 -10.5908 -10.5908 -0.7809 -0.7809 -0.3687 -0.3687 0.7827 0.7827 0.9236 0.9236 1.3343 1.3343 1.5200 1.5200 9.4454 9.4454 10.5852 10.5852 11.1059 11.1059 11.7848 11.7848 k = 0.5000-0.6702-0.5950 ( 3378 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6425 -10.6425 -10.5890 -10.5890 -0.7694 -0.7694 -0.3585 -0.3585 0.7688 0.7688 0.8815 0.8815 1.3433 1.3433 1.5068 1.5068 9.4835 9.4835 10.6423 10.6423 11.1381 11.1381 11.7751 11.7751 k = 0.5000-0.6600-0.6117 ( 3380 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.6396 -10.6396 -10.5870 -10.5870 -0.7565 -0.7565 -0.3470 -0.3470 0.7523 0.7523 0.8365 0.8365 1.3521 1.3521 1.4934 1.4934 9.5233 9.5233 10.7038 10.7038 11.1749 11.1749 11.7662 11.7662 k = 0.5000-0.6497-0.6285 ( 3376 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.6363 -10.6363 -10.5848 -10.5848 -0.7422 -0.7422 -0.3344 -0.3344 0.7326 0.7326 0.7894 0.7894 1.3608 1.3608 1.4804 1.4804 9.5640 9.5640 10.7680 10.7680 11.2161 11.2161 11.7594 11.7594 k = 0.5000-0.6394-0.6453 ( 3374 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.6328 -10.6328 -10.5824 -10.5824 -0.7266 -0.7266 -0.3207 -0.3207 0.7082 0.7082 0.7421 0.7421 1.3694 1.3694 1.4681 1.4681 9.6043 9.6043 10.8326 10.8326 11.2612 11.2612 11.7564 11.7564 k = 0.5000-0.6292-0.6620 ( 3376 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.6291 -10.6291 -10.5800 -10.5800 -0.7098 -0.7098 -0.3060 -0.3060 0.6725 0.6725 0.7016 0.7016 1.3777 1.3777 1.4570 1.4570 9.6433 9.6433 10.8949 10.8949 11.3091 11.3091 11.7595 11.7595 k = 0.5000-0.6189-0.6788 ( 3378 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0389 -38.0389 -10.6251 -10.6251 -10.5775 -10.5775 -0.6919 -0.6919 -0.2905 -0.2905 0.6236 0.6236 0.6703 0.6703 1.3857 1.3857 1.4475 1.4475 9.6800 9.6800 10.9514 10.9514 11.3583 11.3583 11.7717 11.7717 k = 0.5000-0.6086-0.6956 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0389 -38.0389 -10.6210 -10.6210 -10.5750 -10.5750 -0.6729 -0.6729 -0.2742 -0.2742 0.5699 0.5699 0.6406 0.6406 1.3933 1.3933 1.4399 1.4399 9.7136 9.7136 10.9984 10.9984 11.4065 11.4065 11.7962 11.7962 k = 0.5000-0.5984-0.7123 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0389 -38.0389 -10.6167 -10.6167 -10.5724 -10.5724 -0.6531 -0.6531 -0.2574 -0.2574 0.5146 0.5146 0.6099 0.6099 1.4001 1.4001 1.4347 1.4347 9.7435 9.7435 11.0329 11.0329 11.4505 11.4505 11.8357 11.8357 k = 0.5000-0.5881-0.7291 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0389 -38.0389 -10.6123 -10.6123 -10.5699 -10.5699 -0.6326 -0.6326 -0.2402 -0.2402 0.4589 0.4589 0.5783 0.5783 1.4053 1.4053 1.4327 1.4327 9.7691 9.7691 11.0530 11.0530 11.4867 11.4867 11.8913 11.8913 k = 0.5000-0.5778-0.7459 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0390 -38.0390 -10.6078 -10.6078 -10.5675 -10.5675 -0.6116 -0.6116 -0.2231 -0.2231 0.4034 0.4034 0.5460 0.5460 1.4085 1.4085 1.4343 1.4343 9.7899 9.7899 11.0592 11.0592 11.5118 11.5118 11.9622 11.9622 k = 0.5000-0.5675-0.7626 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0390 -38.0390 -10.6033 -10.6033 -10.5651 -10.5651 -0.5904 -0.5904 -0.2063 -0.2063 0.3488 0.3488 0.5138 0.5138 1.4102 1.4102 1.4390 1.4390 9.8059 9.8059 11.0530 11.0530 11.5238 11.5238 12.0458 12.0458 k = 0.5000-0.5573-0.7794 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.5987 -10.5987 -10.5630 -10.5630 -0.5693 -0.5693 -0.1903 -0.1903 0.2958 0.2958 0.4823 0.4823 1.4116 1.4116 1.4453 1.4453 9.8169 9.8169 11.0369 11.0369 11.5229 11.5229 12.1390 12.1390 k = 0.5000-0.5470-0.7962 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5942 -10.5942 -10.5610 -10.5610 -0.5489 -0.5489 -0.1758 -0.1758 0.2451 0.2451 0.4525 0.4525 1.4136 1.4136 1.4523 1.4523 9.8230 9.8230 11.0132 11.0132 11.5111 11.5111 12.2386 12.2386 k = 0.5000-0.5367-0.8129 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5897 -10.5897 -10.5593 -10.5593 -0.5298 -0.5298 -0.1634 -0.1634 0.1977 0.1977 0.4256 0.4256 1.4164 1.4164 1.4596 1.4596 9.8243 9.8243 10.9838 10.9838 11.4912 11.4912 12.3414 12.3414 k = 0.5000-0.5265-0.8297 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5853 -10.5853 -10.5578 -10.5578 -0.5128 -0.5128 -0.1540 -0.1540 0.1546 0.1546 0.4025 0.4025 1.4200 1.4200 1.4668 1.4668 9.8210 9.8210 10.9503 10.9503 11.4661 11.4661 12.4442 12.4442 k = 0.5000-0.5162-0.8465 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5811 -10.5811 -10.5567 -10.5567 -0.4987 -0.4987 -0.1485 -0.1485 0.1168 0.1168 0.3846 0.3846 1.4244 1.4244 1.4740 1.4740 9.8135 9.8135 10.9139 10.9139 11.4382 11.4382 12.5436 12.5436 k = 0.5000-0.5059-0.8632 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5770 -10.5770 -10.5559 -10.5559 -0.4889 -0.4889 -0.1476 -0.1476 0.0859 0.0859 0.3728 0.3728 1.4296 1.4296 1.4809 1.4809 9.8020 9.8020 10.8756 10.8756 11.4092 11.4092 12.6357 12.6357 k = 0.5000-0.4957-0.8800 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5731 -10.5731 -10.5555 -10.5555 -0.4842 -0.4842 -0.1515 -0.1515 0.0629 0.0629 0.3679 0.3679 1.4353 1.4353 1.4876 1.4876 9.7872 9.7872 10.8361 10.8361 11.3801 11.3801 12.7152 12.7152 k = 0.5000-0.4854-0.8968 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5695 -10.5695 -10.5556 -10.5556 -0.4857 -0.4857 -0.1604 -0.1604 0.0488 0.0488 0.3700 0.3700 1.4416 1.4416 1.4940 1.4940 9.7694 9.7694 10.7961 10.7961 11.3517 11.3517 12.7763 12.7763 k = 0.5000-0.4751-0.9135 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5661 -10.5661 -10.5562 -10.5562 -0.4933 -0.4933 -0.1736 -0.1736 0.0440 0.0440 0.3788 0.3788 1.4482 1.4482 1.4999 1.4999 9.7491 9.7491 10.7562 10.7562 11.3245 11.3245 12.8136 12.8136 k = 0.5000-0.4649-0.9303 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5631 -10.5631 -10.5573 -10.5573 -0.5068 -0.5068 -0.1903 -0.1903 0.0481 0.0481 0.3938 0.3938 1.4551 1.4551 1.5055 1.5055 9.7269 9.7269 10.7168 10.7168 11.2987 11.2987 12.8257 12.8257 k = 0.5000-0.4546-0.9471 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5605 -10.5605 -10.5590 -10.5590 -0.5250 -0.5250 -0.2096 -0.2096 0.0601 0.0601 0.4140 0.4140 1.4622 1.4622 1.5106 1.5106 9.7033 9.7033 10.6783 10.6783 11.2743 11.2743 12.8163 12.8163 k = 0.5000-0.4443-0.9638 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5613 -10.5613 -10.5582 -10.5582 -0.5464 -0.5464 -0.2304 -0.2304 0.0788 0.0788 0.4386 0.4386 1.4693 1.4693 1.5152 1.5152 9.6788 9.6788 10.6410 10.6410 11.2513 11.2513 12.7915 12.7915 k = 0.5000-0.4340-0.9806 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5643 -10.5643 -10.5564 -10.5564 -0.5699 -0.5699 -0.2519 -0.2519 0.1030 0.1030 0.4668 0.4668 1.4764 1.4764 1.5193 1.5193 9.6539 9.6539 10.6054 10.6054 11.2297 11.2297 12.7571 12.7571 k = 0.5000-0.4238-0.9974 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5679 -10.5679 -10.5550 -10.5550 -0.5941 -0.5941 -0.2733 -0.2733 0.1314 0.1314 0.4981 0.4981 1.4833 1.4833 1.5229 1.5229 9.6291 9.6291 10.5717 10.5717 11.2093 11.2093 12.7169 12.7169 k = 0.5000-0.4135-1.0141 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5722 -10.5722 -10.5541 -10.5541 -0.6181 -0.6181 -0.2939 -0.2939 0.1632 0.1632 0.5318 0.5318 1.4901 1.4901 1.5261 1.5261 9.6048 9.6048 10.5402 10.5402 11.1900 11.1900 12.6736 12.6736 k = 0.8124-0.3192-0.8292 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5722 -10.5722 -10.5541 -10.5541 -0.6181 -0.6181 -0.2939 -0.2939 0.1632 0.1632 0.5318 0.5318 1.4901 1.4901 1.5261 1.5261 9.6048 9.6048 10.5402 10.5402 11.1900 11.1900 12.6736 12.6736 k = 0.8068-0.3106-0.8124 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5772 -10.5772 -10.5538 -10.5538 -0.6412 -0.6412 -0.3133 -0.3133 0.1975 0.1975 0.5675 0.5675 1.4965 1.4965 1.5287 1.5287 9.5813 9.5813 10.5111 10.5111 11.1718 11.1718 12.6288 12.6288 k = 0.8011-0.3021-0.7957 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5830 -10.5830 -10.5540 -10.5540 -0.6628 -0.6628 -0.3310 -0.3310 0.2340 0.2340 0.6048 0.6048 1.5026 1.5026 1.5309 1.5309 9.5591 9.5591 10.4846 10.4846 11.1545 11.1545 12.5838 12.5838 k = 0.7954-0.2935-0.7789 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.5895 -10.5895 -10.5547 -10.5547 -0.6825 -0.6825 -0.3467 -0.3467 0.2719 0.2719 0.6436 0.6436 1.5081 1.5081 1.5327 1.5327 9.5383 9.5383 10.4610 10.4610 11.1382 11.1382 12.5392 12.5392 k = 0.7897-0.2850-0.7622 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.5968 -10.5968 -10.5560 -10.5560 -0.6999 -0.6999 -0.3602 -0.3602 0.3111 0.3111 0.6835 0.6835 1.5130 1.5130 1.5343 1.5343 9.5193 9.5193 10.4404 10.4404 11.1228 11.1228 12.4958 12.4958 k = 0.7840-0.2764-0.7454 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0390 -38.0390 -10.6048 -10.6048 -10.5579 -10.5579 -0.7149 -0.7149 -0.3711 -0.3711 0.3511 0.3511 0.7244 0.7244 1.5171 1.5171 1.5357 1.5357 9.5022 9.5022 10.4229 10.4229 11.1084 11.1084 12.4539 12.4539 k = 0.7784-0.2679-0.7286 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0390 -38.0390 -10.6137 -10.6137 -10.5604 -10.5604 -0.7272 -0.7272 -0.3794 -0.3794 0.3917 0.3917 0.7660 0.7660 1.5202 1.5202 1.5372 1.5372 9.4871 9.4871 10.4087 10.4087 11.0949 11.0949 12.4138 12.4138 k = 0.7727-0.2593-0.7119 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0390 -38.0390 -10.6233 -10.6233 -10.5636 -10.5636 -0.7367 -0.7367 -0.3849 -0.3849 0.4326 0.4326 0.8082 0.8082 1.5223 1.5223 1.5389 1.5389 9.4744 9.4744 10.3981 10.3981 11.0825 11.0825 12.3760 12.3760 k = 0.7670-0.2508-0.6951 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0390 -38.0390 -10.6337 -10.6337 -10.5673 -10.5673 -0.7433 -0.7433 -0.3875 -0.3875 0.4737 0.4737 0.8509 0.8509 1.5235 1.5235 1.5407 1.5407 9.4638 9.4638 10.3910 10.3910 11.0713 11.0713 12.3405 12.3405 k = 0.7613-0.2422-0.6784 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0390 -38.0390 -10.6448 -10.6448 -10.5717 -10.5717 -0.7470 -0.7470 -0.3870 -0.3870 0.5147 0.5147 0.8939 0.8939 1.5239 1.5239 1.5426 1.5426 9.4557 9.4557 10.3875 10.3875 11.0614 11.0614 12.3074 12.3074 k = 0.7556-0.2337-0.6616 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0470 -38.0470 -38.0389 -38.0389 -10.6567 -10.6567 -10.5767 -10.5767 -0.7478 -0.7478 -0.3835 -0.3835 0.5555 0.5555 0.9370 0.9370 1.5239 1.5239 1.5444 1.5444 9.4499 9.4499 10.3878 10.3878 11.0530 11.0530 12.2770 12.2770 k = 0.7499-0.2251-0.6448 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0469 -38.0469 -38.0389 -38.0389 -10.6693 -10.6693 -10.5823 -10.5823 -0.7456 -0.7456 -0.3769 -0.3769 0.5957 0.5957 0.9802 0.9802 1.5237 1.5237 1.5459 1.5459 9.4464 9.4464 10.3919 10.3919 11.0461 11.0461 12.2492 12.2492 k = 0.7443-0.2166-0.6281 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0469 -38.0469 -38.0389 -38.0389 -10.6826 -10.6826 -10.5886 -10.5886 -0.7406 -0.7406 -0.3671 -0.3671 0.6354 0.6354 1.0233 1.0233 1.5236 1.5236 1.5471 1.5471 9.4451 9.4451 10.4000 10.4000 11.0409 11.0409 12.2239 12.2239 k = 0.7386-0.2080-0.6113 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0468 -38.0468 -38.0389 -38.0389 -10.6966 -10.6966 -10.5954 -10.5954 -0.7327 -0.7327 -0.3542 -0.3542 0.6742 0.6742 1.0662 1.0662 1.5237 1.5237 1.5480 1.5480 9.4460 9.4460 10.4119 10.4119 11.0376 11.0376 12.2011 12.2011 k = 0.7329-0.1995-0.5946 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3313 -38.3313 -38.0467 -38.0467 -38.0389 -38.0389 -10.7113 -10.7113 -10.6028 -10.6028 -0.7221 -0.7221 -0.3381 -0.3381 0.7121 0.7121 1.1087 1.1087 1.5242 1.5242 1.5486 1.5486 9.4489 9.4489 10.4278 10.4278 11.0363 11.0363 12.1804 12.1804 k = 0.7272-0.1909-0.5778 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3313 -38.3313 -38.0466 -38.0466 -38.0389 -38.0389 -10.7265 -10.7265 -10.6107 -10.6107 -0.7089 -0.7089 -0.3189 -0.3189 0.7489 0.7489 1.1507 1.1507 1.5253 1.5253 1.5492 1.5492 9.4537 9.4537 10.4477 10.4477 11.0372 11.0372 12.1614 12.1614 k = 0.7215-0.1824-0.5611 ( 3388 PWs) bands (ev): -71.3884 -71.3884 -38.3312 -38.3312 -38.0465 -38.0465 -38.0389 -38.0389 -10.7423 -10.7423 -10.6192 -10.6192 -0.6931 -0.6931 -0.2966 -0.2966 0.7844 0.7844 1.1919 1.1919 1.5270 1.5270 1.5498 1.5498 9.4602 9.4602 10.4717 10.4717 11.0404 11.0404 12.1432 12.1432 k = 0.7159-0.1738-0.5443 ( 3382 PWs) bands (ev): -71.3884 -71.3884 -38.3311 -38.3311 -38.0464 -38.0464 -38.0388 -38.0388 -10.7586 -10.7586 -10.6282 -10.6282 -0.6750 -0.6750 -0.2713 -0.2713 0.8185 0.8185 1.2323 1.2323 1.5294 1.5294 1.5509 1.5509 9.4681 9.4681 10.4996 10.4996 11.0460 11.0460 12.1247 12.1247 k = 0.7102-0.1653-0.5275 ( 3382 PWs) bands (ev): -71.3884 -71.3884 -38.3311 -38.3311 -38.0463 -38.0463 -38.0388 -38.0388 -10.7754 -10.7754 -10.6376 -10.6376 -0.6547 -0.6547 -0.2431 -0.2431 0.8512 0.8512 1.2713 1.2713 1.5324 1.5324 1.5529 1.5529 9.4772 9.4772 10.5316 10.5316 11.0542 11.0542 12.1040 12.1040 k = 0.7045-0.1567-0.5108 ( 3388 PWs) bands (ev): -71.3884 -71.3884 -38.3310 -38.3310 -38.0462 -38.0462 -38.0388 -38.0388 -10.7927 -10.7927 -10.6475 -10.6475 -0.6324 -0.6324 -0.2121 -0.2121 0.8824 0.8824 1.3087 1.3087 1.5359 1.5359 1.5564 1.5564 9.4872 9.4872 10.5675 10.5675 11.0649 11.0649 12.0785 12.0785 k = 0.6988-0.1482-0.4940 ( 3378 PWs) bands (ev): -71.3884 -71.3884 -38.3309 -38.3309 -38.0461 -38.0461 -38.0388 -38.0388 -10.8103 -10.8103 -10.6578 -10.6578 -0.6084 -0.6084 -0.1782 -0.1782 0.9121 0.9121 1.3438 1.3438 1.5403 1.5403 1.5620 1.5620 9.4979 9.4979 10.6074 10.6074 11.0785 11.0785 12.0453 12.0453 k = 0.6931-0.1397-0.4773 ( 3388 PWs) bands (ev): -71.3884 -71.3884 -38.3309 -38.3309 -38.0460 -38.0460 -38.0388 -38.0388 -10.8282 -10.8282 -10.6685 -10.6685 -0.5828 -0.5828 -0.1418 -0.1418 0.9404 0.9404 1.3756 1.3756 1.5462 1.5462 1.5698 1.5698 9.5087 9.5087 10.6512 10.6512 11.0949 11.0949 12.0017 12.0017 k = 0.6875-0.1311-0.4605 ( 3388 PWs) bands (ev): -71.3884 -71.3884 -38.3308 -38.3308 -38.0459 -38.0459 -38.0388 -38.0388 -10.8465 -10.8465 -10.6795 -10.6795 -0.5560 -0.5560 -0.1028 -0.1028 0.9675 0.9675 1.4028 1.4028 1.5551 1.5551 1.5797 1.5797 9.5195 9.5195 10.6989 10.6989 11.1142 11.1142 11.9467 11.9467 k = 0.6818-0.1226-0.4438 ( 3390 PWs) bands (ev): -71.3884 -71.3884 -38.3308 -38.3308 -38.0458 -38.0458 -38.0387 -38.0387 -10.8649 -10.8649 -10.6908 -10.6908 -0.5282 -0.5282 -0.0615 -0.0615 0.9935 0.9935 1.4241 1.4241 1.5685 1.5685 1.5917 1.5917 9.5298 9.5298 10.7504 10.7504 11.1364 11.1364 11.8812 11.8812 k = 0.6761-0.1140-0.4270 ( 3394 PWs) bands (ev): -71.3884 -71.3884 -38.3307 -38.3307 -38.0457 -38.0457 -38.0387 -38.0387 -10.8835 -10.8835 -10.7023 -10.7023 -0.4997 -0.4997 -0.0181 -0.0181 1.0187 1.0187 1.4390 1.4390 1.5869 1.5869 1.6055 1.6055 9.5392 9.5392 10.8057 10.8057 11.1616 11.1616 11.8072 11.8072 k = 0.6704-0.1055-0.4102 ( 3392 PWs) bands (ev): -71.3884 -71.3884 -38.3306 -38.3306 -38.0455 -38.0455 -38.0387 -38.0387 -10.9022 -10.9022 -10.7141 -10.7141 -0.4708 -0.4708 0.0273 0.0273 1.0433 1.0433 1.4482 1.4482 1.6094 1.6094 1.6213 1.6213 9.5472 9.5472 10.8646 10.8646 11.1898 11.1898 11.7269 11.7269 k = 0.6647-0.0969-0.3935 ( 3386 PWs) bands (ev): -71.3884 -71.3884 -38.3305 -38.3305 -38.0454 -38.0454 -38.0387 -38.0387 -10.9209 -10.9209 -10.7260 -10.7260 -0.4418 -0.4418 0.0745 0.0745 1.0679 1.0679 1.4534 1.4534 1.6321 1.6321 1.6413 1.6413 9.5535 9.5535 10.9270 10.9270 11.2210 11.2210 11.6420 11.6420 k = 0.6591-0.0884-0.3767 ( 3386 PWs) bands (ev): -71.3884 -71.3884 -38.3305 -38.3305 -38.0453 -38.0453 -38.0387 -38.0387 -10.9397 -10.9397 -10.7381 -10.7381 -0.4130 -0.4130 0.1232 0.1232 1.0927 1.0927 1.4561 1.4561 1.6514 1.6514 1.6674 1.6674 9.5577 9.5577 10.9927 10.9927 11.2551 11.2551 11.5541 11.5541 k = 0.6534-0.0798-0.3600 ( 3384 PWs) bands (ev): -71.3885 -71.3885 -38.3304 -38.3304 -38.0451 -38.0451 -38.0386 -38.0386 -10.9584 -10.9584 -10.7502 -10.7502 -0.3847 -0.3847 0.1731 0.1731 1.1180 1.1180 1.4575 1.4575 1.6700 1.6700 1.6956 1.6956 9.5593 9.5593 11.0611 11.0611 11.2922 11.2922 11.4646 11.4646 k = 0.6477-0.0713-0.3432 ( 3384 PWs) bands (ev): -71.3885 -71.3885 -38.3303 -38.3303 -38.0450 -38.0450 -38.0386 -38.0386 -10.9769 -10.9769 -10.7623 -10.7623 -0.3573 -0.3573 0.2240 0.2240 1.1444 1.1444 1.4584 1.4584 1.6888 1.6888 1.7242 1.7242 9.5580 9.5580 11.1304 11.1304 11.3314 11.3314 11.3764 11.3764 k = 0.6420-0.0627-0.3265 ( 3380 PWs) bands (ev): -71.3885 -71.3885 -38.3302 -38.3302 -38.0449 -38.0449 -38.0386 -38.0386 -10.9953 -10.9953 -10.7744 -10.7744 -0.3310 -0.3310 0.2754 0.2754 1.1719 1.1719 1.4593 1.4593 1.7079 1.7079 1.7525 1.7525 9.5535 9.5535 11.1877 11.1877 11.2993 11.2993 11.3764 11.3764 k = 0.6363-0.0542-0.3097 ( 3382 PWs) bands (ev): -71.3885 -71.3885 -38.3302 -38.3302 -38.0447 -38.0447 -38.0386 -38.0386 -11.0134 -11.0134 -10.7865 -10.7865 -0.3061 -0.3061 0.3272 0.3272 1.2010 1.2010 1.4608 1.4608 1.7272 1.7272 1.7801 1.7801 9.5454 9.5454 11.1559 11.1559 11.3157 11.3157 11.4218 11.4218 k = 0.6307-0.0456-0.2929 ( 3382 PWs) bands (ev): -71.3885 -71.3885 -38.3301 -38.3301 -38.0446 -38.0446 -38.0386 -38.0386 -11.0312 -11.0312 -10.7985 -10.7985 -0.2827 -0.2827 0.3788 0.3788 1.2318 1.2318 1.4631 1.4631 1.7464 1.7464 1.8069 1.8069 9.5336 9.5336 11.0687 11.0687 11.3898 11.3898 11.4701 11.4701 k = 0.6250-0.0371-0.2762 ( 3388 PWs) bands (ev): -71.3885 -71.3885 -38.3300 -38.3300 -38.0445 -38.0445 -38.0386 -38.0386 -11.0487 -11.0487 -10.8103 -10.8103 -0.2610 -0.2610 0.4298 0.4298 1.2643 1.2643 1.4668 1.4668 1.7655 1.7655 1.8327 1.8327 9.5180 9.5180 10.9745 10.9745 11.4734 11.4734 11.5211 11.5211 k = 0.6193-0.0285-0.2594 ( 3388 PWs) bands (ev): -71.3885 -71.3885 -38.3299 -38.3299 -38.0444 -38.0444 -38.0386 -38.0386 -11.0658 -11.0658 -10.8219 -10.8219 -0.2412 -0.2412 0.4797 0.4797 1.2987 1.2987 1.4721 1.4721 1.7843 1.7843 1.8573 1.8573 9.4986 9.4986 10.8786 10.8786 11.5613 11.5613 11.5747 11.5747 k = 0.6136-0.0200-0.2427 ( 3392 PWs) bands (ev): -71.3885 -71.3885 -38.3299 -38.3299 -38.0443 -38.0443 -38.0386 -38.0386 -11.0825 -11.0825 -10.8332 -10.8332 -0.2233 -0.2233 0.5282 0.5282 1.3349 1.3349 1.4794 1.4794 1.8027 1.8027 1.8808 1.8808 9.4753 9.4753 10.7822 10.7822 11.6297 11.6297 11.6533 11.6533 k = 0.6079-0.0114-0.2259 ( 3392 PWs) bands (ev): -71.3885 -71.3885 -38.3298 -38.3298 -38.0441 -38.0441 -38.0385 -38.0385 -11.0986 -11.0986 -10.8443 -10.8443 -0.2072 -0.2072 0.5747 0.5747 1.3726 1.3726 1.4891 1.4891 1.8207 1.8207 1.9031 1.9031 9.4484 9.4484 10.6861 10.6861 11.6873 11.6873 11.7475 11.7475 k = 0.6023-0.0029-0.2092 ( 3392 PWs) bands (ev): -71.3885 -71.3885 -38.3298 -38.3298 -38.0440 -38.0440 -38.0385 -38.0385 -11.1143 -11.1143 -10.8551 -10.8551 -0.1931 -0.1931 0.6187 0.6187 1.4116 1.4116 1.5013 1.5013 1.8382 1.8382 1.9242 1.9242 9.4181 9.4181 10.5906 10.5906 11.7465 11.7465 11.8444 11.8444 k = 0.5966 0.0057-0.1924 ( 3396 PWs) bands (ev): -71.3885 -71.3885 -38.3297 -38.3297 -38.0439 -38.0439 -38.0385 -38.0385 -11.1293 -11.1293 -10.8655 -10.8655 -0.1808 -0.1808 0.6597 0.6597 1.4515 1.4515 1.5166 1.5166 1.8551 1.8551 1.9439 1.9439 9.3848 9.3848 10.4963 10.4963 11.8069 11.8069 11.9436 11.9436 k = 0.5909 0.0142-0.1756 ( 3396 PWs) bands (ev): -71.3886 -71.3886 -38.3296 -38.3296 -38.0438 -38.0438 -38.0385 -38.0385 -11.1437 -11.1437 -10.8756 -10.8756 -0.1702 -0.1702 0.6975 0.6975 1.4915 1.4915 1.5353 1.5353 1.8714 1.8714 1.9624 1.9624 9.3488 9.3488 10.4036 10.4036 11.8683 11.8683 12.0448 12.0448 k = 0.5852 0.0228-0.1589 ( 3392 PWs) bands (ev): -71.3886 -71.3886 -38.3296 -38.3296 -38.0437 -38.0437 -38.0385 -38.0385 -11.1575 -11.1575 -10.8852 -10.8852 -0.1612 -0.1612 0.7317 0.7317 1.5301 1.5301 1.5588 1.5588 1.8872 1.8872 1.9795 1.9795 9.3107 9.3107 10.3130 10.3130 11.9302 11.9302 12.1476 12.1476 k = 0.5795 0.0313-0.1421 ( 3386 PWs) bands (ev): -71.3886 -71.3886 -38.3295 -38.3295 -38.0436 -38.0436 -38.0385 -38.0385 -11.1705 -11.1705 -10.8943 -10.8943 -0.1537 -0.1537 0.7621 0.7621 1.5641 1.5641 1.5894 1.5894 1.9024 1.9024 1.9954 1.9954 9.2709 9.2709 10.2249 10.2249 11.9921 11.9921 12.2517 12.2517 k = 0.5738 0.0399-0.1254 ( 3388 PWs) bands (ev): -71.3886 -71.3886 -38.3295 -38.3295 -38.0435 -38.0435 -38.0385 -38.0385 -11.1828 -11.1828 -10.9030 -10.9030 -0.1475 -0.1475 0.7888 0.7888 1.5937 1.5937 1.6262 1.6262 1.9171 1.9171 2.0099 2.0099 9.2301 9.2301 10.1397 10.1397 12.0535 12.0535 12.3564 12.3564 k = 0.5682 0.0484-0.1086 ( 3386 PWs) bands (ev): -71.3886 -71.3886 -38.3294 -38.3294 -38.0434 -38.0434 -38.0384 -38.0384 -11.1943 -11.1943 -10.9111 -10.9111 -0.1425 -0.1425 0.8119 0.8119 1.6225 1.6225 1.6647 1.6647 1.9312 1.9312 2.0231 2.0231 9.1889 9.1889 10.0581 10.0581 12.1137 12.1137 12.4609 12.4609 k = 0.5625 0.0570-0.0919 ( 3382 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0433 -38.0433 -38.0384 -38.0384 -11.2050 -11.2050 -10.9187 -10.9187 -0.1384 -0.1384 0.8316 0.8316 1.6517 1.6517 1.7026 1.7026 1.9449 1.9449 2.0351 2.0351 9.1479 9.1479 9.9806 9.9806 12.1723 12.1723 12.5640 12.5640 k = 0.5568 0.0655-0.0751 ( 3382 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0432 -38.0432 -38.0384 -38.0384 -11.2149 -11.2149 -10.9257 -10.9257 -0.1353 -0.1353 0.8481 0.8481 1.6811 1.6811 1.7388 1.7388 1.9580 1.9580 2.0458 2.0458 9.1077 9.1077 9.9076 9.9076 12.2283 12.2283 12.6632 12.6632 k = 0.5511 0.0741-0.0583 ( 3388 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0432 -38.0432 -38.0384 -38.0384 -11.2239 -11.2239 -10.9322 -10.9322 -0.1328 -0.1328 0.8618 0.8618 1.7101 1.7101 1.7728 1.7728 1.9706 1.9706 2.0555 2.0555 9.0690 9.0690 9.8397 9.8397 12.2813 12.2813 12.7472 12.7472 k = 0.5454 0.0826-0.0416 ( 3386 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0431 -38.0431 -38.0384 -38.0384 -11.2320 -11.2320 -10.9380 -10.9380 -0.1310 -0.1310 0.8731 0.8731 1.7382 1.7382 1.8041 1.8041 1.9824 1.9824 2.0642 2.0642 9.0325 9.0325 9.7773 9.7773 12.3304 12.3304 12.7674 12.7674 k = 0.5398 0.0911-0.0248 ( 3382 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0430 -38.0430 -38.0384 -38.0384 -11.2393 -11.2393 -10.9431 -10.9431 -0.1296 -0.1296 0.8822 0.8822 1.7644 1.7644 1.8325 1.8325 1.9933 1.9933 2.0721 2.0721 8.9986 8.9986 9.7210 9.7210 12.3751 12.3751 12.7850 12.7850 k = 0.5341 0.0997-0.0081 ( 3378 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0430 -38.0430 -38.0384 -38.0384 -11.2456 -11.2456 -10.9476 -10.9476 -0.1287 -0.1287 0.8895 0.8895 1.7881 1.7881 1.8579 1.8579 2.0027 2.0027 2.0794 2.0794 8.9680 8.9680 9.6712 9.6712 12.4146 12.4146 12.8012 12.8012 k = 0.5284 0.1082 0.0087 ( 3378 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2509 -11.2509 -10.9515 -10.9515 -0.1280 -0.1280 0.8952 0.8952 1.8086 1.8086 1.8804 1.8804 2.0102 2.0102 2.0863 2.0863 8.9412 8.9412 9.6283 9.6283 12.4485 12.4485 12.8158 12.8158 k = 0.5227 0.1168 0.0254 ( 3374 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2553 -11.2553 -10.9546 -10.9546 -0.1276 -0.1276 0.8997 0.8997 1.8255 1.8255 1.9000 1.9000 2.0155 2.0155 2.0926 2.0926 8.9186 8.9186 9.5927 9.5927 12.4764 12.4764 12.8284 12.8284 k = 0.5170 0.1253 0.0422 ( 3376 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2588 -11.2588 -10.9571 -10.9571 -0.1273 -0.1273 0.9029 0.9029 1.8386 1.8386 1.9164 1.9164 2.0186 2.0186 2.0982 2.0982 8.9006 8.9006 9.5646 9.5646 12.4982 12.4982 12.8383 12.8384 k = 0.5114 0.1339 0.0590 ( 3378 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2612 -11.2612 -10.9589 -10.9589 -0.1271 -0.1271 0.9051 0.9051 1.8478 1.8478 1.9292 1.9292 2.0199 2.0199 2.1026 2.1026 8.8875 8.8875 9.5444 9.5444 12.5138 12.5138 12.8447 12.8447 k = 0.5057 0.1424 0.0757 ( 3372 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0383 -38.0383 -11.2627 -11.2627 -10.9599 -10.9599 -0.1270 -0.1270 0.9064 0.9064 1.8533 1.8533 1.9374 1.9374 2.0201 2.0201 2.1055 2.1055 8.8795 8.8795 9.5322 9.5322 12.5231 12.5231 12.8471 12.8472 k = 0.5000 0.1510 0.0925 ( 3370 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0383 -38.0383 -11.2632 -11.2632 -10.9603 -10.9603 -0.1270 -0.1270 0.9068 0.9068 1.8551 1.8551 1.9403 1.9403 2.0200 2.0200 2.1065 2.1065 8.8769 8.8769 9.5281 9.5281 12.5262 12.5262 12.8474 12.8474 k = 0.5000 0.1510 0.0925 ( 3370 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0383 -38.0383 -11.2632 -11.2632 -10.9603 -10.9603 -0.1270 -0.1270 0.9068 0.9068 1.8551 1.8551 1.9403 1.9403 2.0200 2.0200 2.1065 2.1065 8.8769 8.8769 9.5281 9.5281 12.5262 12.5262 12.8474 12.8474 k = 0.4815 0.1454 0.0891 ( 3364 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0383 -38.0383 -11.2645 -11.2645 -10.9589 -10.9589 -0.1336 -0.1336 0.9147 0.9147 1.8544 1.8544 1.9397 1.9397 2.0207 2.0207 2.1072 2.1072 8.8719 8.8719 9.5283 9.5283 12.5288 12.5288 12.8460 12.8460 k = 0.4630 0.1398 0.0856 ( 3370 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0383 -38.0383 -11.2682 -11.2682 -10.9547 -10.9547 -0.1529 -0.1529 0.9376 0.9376 1.8525 1.8525 1.9378 1.9378 2.0228 2.0228 2.1092 2.1092 8.8569 8.8569 9.5288 9.5288 12.5367 12.5367 12.8415 12.8415 k = 0.4444 0.1342 0.0822 ( 3378 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.2742 -11.2742 -10.9480 -10.9480 -0.1830 -0.1830 0.9739 0.9739 1.8495 1.8495 1.9347 1.9347 2.0262 2.0262 2.1125 2.1125 8.8326 8.8326 9.5294 9.5294 12.5496 12.5496 12.8343 12.8343 k = 0.4259 0.1286 0.0788 ( 3390 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2820 -11.2820 -10.9391 -10.9391 -0.2219 -0.2219 1.0212 1.0212 1.8455 1.8455 1.9307 1.9307 2.0307 2.0307 2.1169 2.1169 8.7997 8.7997 9.5298 9.5298 12.5676 12.5676 12.8245 12.8245 k = 0.4074 0.1230 0.0754 ( 3387 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2914 -11.2914 -10.9284 -10.9284 -0.2672 -0.2672 1.0773 1.0773 1.8407 1.8407 1.9259 1.9259 2.0361 2.0361 2.1222 2.1222 8.7589 8.7589 9.5298 9.5298 12.5903 12.5903 12.8125 12.8125 k = 0.3889 0.1174 0.0719 ( 3390 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.3019 -11.3019 -10.9163 -10.9163 -0.3170 -0.3170 1.1400 1.1400 1.8353 1.8353 1.9205 1.9205 2.0423 2.0423 2.1282 2.1282 8.7114 8.7114 9.5290 9.5290 12.6176 12.6176 12.7985 12.7985 k = 0.3704 0.1118 0.0685 ( 3396 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.3132 -11.3132 -10.9032 -10.9032 -0.3695 -0.3695 1.2077 1.2077 1.8295 1.8295 1.9147 1.9147 2.0491 2.0491 2.1348 2.1348 8.6579 8.6579 9.5273 9.5273 12.6491 12.6491 12.7829 12.7829 k = 0.3519 0.1062 0.0651 ( 3402 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.3250 -11.3250 -10.8893 -10.8893 -0.4236 -0.4236 1.2788 1.2788 1.8233 1.8233 1.9085 1.9085 2.0563 2.0563 2.1417 2.1417 8.5997 8.5997 9.5246 9.5246 12.6844 12.6844 12.7659 12.7659 k = 0.3333 0.1007 0.0617 ( 3399 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.3371 -11.3371 -10.8750 -10.8750 -0.4781 -0.4781 1.3520 1.3520 1.8170 1.8170 1.9022 1.9022 2.0638 2.0638 2.1488 2.1488 8.5375 8.5375 9.5210 9.5210 12.7231 12.7231 12.7481 12.7481 k = 0.3148 0.0951 0.0582 ( 3396 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.3493 -11.3493 -10.8604 -10.8604 -0.5323 -0.5323 1.4266 1.4266 1.8107 1.8107 1.8958 1.8958 2.0716 2.0716 2.1561 2.1561 8.4724 8.4724 9.5164 9.5164 12.7294 12.7294 12.7428 12.7428 k = 0.2963 0.0895 0.0548 ( 3402 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.3613 -11.3613 -10.8458 -10.8458 -0.5855 -0.5855 1.5014 1.5014 1.8044 1.8044 1.8894 1.8894 2.0795 2.0795 2.1633 2.1633 8.4052 8.4052 9.5110 9.5110 12.7106 12.7106 12.7238 12.7238 k = 0.2778 0.0839 0.0514 ( 3402 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.3732 -11.3732 -10.8314 -10.8314 -0.6372 -0.6372 1.5757 1.5757 1.7982 1.7982 1.8832 1.8832 2.0875 2.0875 2.1705 2.1705 8.3367 8.3367 9.5050 9.5050 12.6917 12.6917 12.7047 12.7047 k = 0.2593 0.0783 0.0480 ( 3396 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.3846 -11.3846 -10.8172 -10.8172 -0.6870 -0.6870 1.6488 1.6488 1.7921 1.7921 1.8771 1.8771 2.0957 2.0957 2.1776 2.1776 8.2678 8.2678 9.4984 9.4984 12.6730 12.6730 12.6860 12.6860 k = 0.2407 0.0727 0.0445 ( 3399 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.3956 -11.3956 -10.8035 -10.8035 -0.7345 -0.7345 1.7199 1.7199 1.7863 1.7863 1.8713 1.8713 2.1040 2.1040 2.1844 2.1844 8.1993 8.1993 9.4915 9.4915 12.6547 12.6547 12.6675 12.6675 k = 0.2222 0.0671 0.0411 ( 3405 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.4061 -11.4061 -10.7904 -10.7904 -0.7794 -0.7794 1.7808 1.7808 1.7882 1.7882 1.8657 1.8657 2.1125 2.1125 2.1909 2.1909 8.1320 8.1320 9.4844 9.4844 12.6370 12.6370 12.6497 12.6497 k = 0.2037 0.0615 0.0377 ( 3396 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4159 -11.4159 -10.7779 -10.7779 -0.8214 -0.8214 1.7756 1.7756 1.8529 1.8529 1.8605 1.8605 2.1216 2.1216 2.1971 2.1971 8.0666 8.0666 9.4772 9.4772 12.6203 12.6203 12.6329 12.6329 k = 0.1852 0.0559 0.0343 ( 3396 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4251 -11.4251 -10.7662 -10.7662 -0.8605 -0.8605 1.7708 1.7708 1.8556 1.8556 1.9128 1.9128 2.1316 2.1316 2.2029 2.2029 8.0038 8.0038 9.4701 9.4701 12.6045 12.6045 12.6170 12.6170 k = 0.1667 0.0503 0.0308 ( 3396 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4335 -11.4335 -10.7554 -10.7554 -0.8963 -0.8963 1.7663 1.7663 1.8511 1.8511 1.9666 1.9666 2.1434 2.1434 2.2083 2.2083 7.9445 7.9445 9.4633 9.4633 12.5898 12.5898 12.6022 12.6022 k = 0.1481 0.0447 0.0274 ( 3390 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4412 -11.4412 -10.7455 -10.7455 -0.9287 -0.9287 1.7623 1.7623 1.8470 1.8470 2.0124 2.0124 2.1582 2.1582 2.2132 2.2132 7.8892 7.8892 9.4569 9.4569 12.5764 12.5764 12.5887 12.5887 k = 0.1296 0.0391 0.0240 ( 3396 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4480 -11.4480 -10.7366 -10.7366 -0.9577 -0.9577 1.7586 1.7586 1.8434 1.8434 2.0482 2.0482 2.1774 2.1774 2.2176 2.2176 7.8386 7.8386 9.4509 9.4509 12.5643 12.5643 12.5766 12.5766 k = 0.1111 0.0336 0.0206 ( 3390 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4540 -11.4540 -10.7287 -10.7287 -0.9830 -0.9830 1.7554 1.7554 1.8402 1.8402 2.0737 2.0737 2.2009 2.2009 2.2215 2.2215 7.7934 7.7934 9.4456 9.4456 12.5537 12.5537 12.5659 12.5659 k = 0.0926 0.0280 0.0171 ( 3384 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4591 -11.4591 -10.7220 -10.7220 -1.0045 -1.0045 1.7527 1.7527 1.8374 1.8374 2.0904 2.0904 2.2249 2.2249 2.2266 2.2266 7.7540 7.7540 9.4410 9.4410 12.5446 12.5446 12.5568 12.5568 k = 0.0741 0.0224 0.0137 ( 3378 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4633 -11.4633 -10.7164 -10.7164 -1.0223 -1.0223 1.7505 1.7505 1.8352 1.8352 2.1012 2.1012 2.2276 2.2276 2.2511 2.2511 7.7211 7.7211 9.4371 9.4371 12.5371 12.5371 12.5493 12.5493 k = 0.0556 0.0168 0.0103 ( 3375 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4666 -11.4666 -10.7120 -10.7120 -1.0362 -1.0362 1.7487 1.7487 1.8334 1.8334 2.1082 2.1082 2.2298 2.2298 2.2721 2.2721 7.6950 7.6950 9.4340 9.4340 12.5312 12.5312 12.5433 12.5433 k = 0.0370 0.0112 0.0069 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4689 -11.4689 -10.7089 -10.7089 -1.0461 -1.0461 1.7475 1.7475 1.8321 1.8321 2.1126 2.1126 2.2313 2.2313 2.2879 2.2879 7.6761 7.6761 9.4317 9.4317 12.5269 12.5269 12.5391 12.5391 k = 0.0185 0.0056 0.0034 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4703 -11.4703 -10.7070 -10.7070 -1.0521 -1.0521 1.7467 1.7467 1.8314 1.8314 2.1150 2.1150 2.2323 2.2323 2.2976 2.2976 7.6647 7.6647 9.4303 9.4303 12.5243 12.5243 12.5365 12.5365 k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4708 -11.4708 -10.7064 -10.7064 -1.0541 -1.0541 1.7465 1.7465 1.8311 1.8311 2.1158 2.1158 2.2326 2.2326 2.3010 2.3010 7.6608 7.6608 9.4299 9.4299 12.5235 12.5235 12.5356 12.5356 k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4708 -11.4708 -10.7064 -10.7064 -1.0541 -1.0541 1.7465 1.7465 1.8311 1.8311 2.1158 2.1158 2.2326 2.2326 2.3010 2.3010 7.6608 7.6608 9.4299 9.4299 12.5235 12.5235 12.5356 12.5356 k = 0.0056-0.0085-0.0166 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4703 -11.4703 -10.7061 -10.7061 -1.0533 -1.0533 1.7447 1.7447 1.8293 1.8293 2.1140 2.1140 2.2304 2.2304 2.3004 2.3004 7.6649 7.6649 9.4337 9.4337 12.5191 12.5191 12.5344 12.5344 k = 0.0113-0.0170-0.0333 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0384 -38.0384 -11.4686 -11.4686 -10.7054 -10.7054 -1.0509 -1.0509 1.7393 1.7393 1.8242 1.8242 2.1083 2.1083 2.2242 2.2242 2.2987 2.2987 7.6769 7.6769 9.4454 9.4454 12.4989 12.4989 12.5379 12.5379 k = 0.0169-0.0254-0.0499 ( 3393 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.4659 -11.4659 -10.7041 -10.7041 -1.0469 -1.0469 1.7298 1.7298 1.8162 1.8162 2.0980 2.0980 2.2146 2.2146 2.2962 2.2962 7.6968 7.6968 9.4646 9.4646 12.4638 12.4638 12.5463 12.5463 k = 0.0225-0.0339-0.0665 ( 3399 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.4621 -11.4621 -10.7023 -10.7023 -1.0414 -1.0414 1.7155 1.7155 1.8062 1.8062 2.0823 2.0823 2.2025 2.2025 2.2930 2.2930 7.7243 7.7243 9.4913 9.4913 12.4170 12.4170 12.5584 12.5584 k = 0.0282-0.0424-0.0831 ( 3401 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0429 -38.0429 -38.0385 -38.0385 -11.4573 -11.4573 -10.7001 -10.7001 -1.0342 -1.0342 1.6959 1.6959 1.7949 1.7949 2.0599 2.0599 2.1893 2.1893 2.2892 2.2892 7.7591 7.7591 9.5251 9.5251 12.3606 12.3606 12.5736 12.5736 k = 0.0338-0.0509-0.0998 ( 3403 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0430 -38.0430 -38.0385 -38.0385 -11.4514 -11.4514 -10.6973 -10.6973 -1.0255 -1.0255 1.6706 1.6706 1.7827 1.7827 2.0304 2.0304 2.1758 2.1758 2.2850 2.2850 7.8007 7.8007 9.5659 9.5659 12.2964 12.2964 12.5910 12.5910 k = 0.0395-0.0594-0.1164 ( 3399 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0430 -38.0430 -38.0385 -38.0385 -11.4444 -11.4444 -10.6941 -10.6941 -1.0153 -1.0153 1.6397 1.6397 1.7696 1.7696 1.9940 1.9940 2.1625 2.1625 2.2805 2.2805 7.8488 7.8488 9.6131 9.6131 12.2262 12.2262 12.6098 12.6098 k = 0.0451-0.0678-0.1330 ( 3405 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0431 -38.0431 -38.0385 -38.0385 -11.4364 -11.4364 -10.6905 -10.6905 -1.0036 -1.0036 1.6037 1.6037 1.7551 1.7551 1.9516 1.9516 2.1491 2.1491 2.2756 2.2756 7.9028 7.9028 9.6664 9.6664 12.1512 12.1512 12.6284 12.6284 k = 0.0507-0.0763-0.1496 ( 3407 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0432 -38.0432 -38.0385 -38.0385 -11.4274 -11.4274 -10.6864 -10.6864 -0.9904 -0.9904 1.5631 1.5631 1.7383 1.7383 1.9049 1.9049 2.1352 2.1352 2.2705 2.2705 7.9621 7.9621 9.7253 9.7253 12.0727 12.0727 12.6446 12.6446 k = 0.0564-0.0848-0.1663 ( 3411 PWs) bands (ev): -71.3886 -71.3886 -38.3294 -38.3294 -38.0432 -38.0432 -38.0385 -38.0385 -11.4174 -11.4174 -10.6818 -10.6818 -0.9757 -0.9757 1.5184 1.5184 1.7175 1.7175 1.8563 1.8563 2.1205 2.1205 2.2651 2.2651 8.0263 8.0263 9.7894 9.7894 11.9918 11.9918 12.6554 12.6554 k = 0.0620-0.0933-0.1829 ( 3413 PWs) bands (ev): -71.3886 -71.3886 -38.3294 -38.3294 -38.0433 -38.0433 -38.0385 -38.0385 -11.4065 -11.4065 -10.6769 -10.6769 -0.9595 -0.9595 1.4701 1.4701 1.6894 1.6894 1.8094 1.8094 2.1046 2.1046 2.2595 2.2595 8.0948 8.0948 9.8582 9.8582 11.9094 11.9094 12.6569 12.6569 k = 0.0676-0.1018-0.1995 ( 3417 PWs) bands (ev): -71.3886 -71.3886 -38.3295 -38.3295 -38.0434 -38.0434 -38.0385 -38.0385 -11.3945 -11.3945 -10.6716 -10.6716 -0.9420 -0.9420 1.4188 1.4188 1.6499 1.6499 1.7693 1.7693 2.0874 2.0874 2.2537 2.2537 8.1669 8.1669 9.9312 9.9312 11.8263 11.8263 12.6461 12.6461 k = 0.0733-0.1102-0.2161 ( 3423 PWs) bands (ev): -71.3886 -71.3886 -38.3295 -38.3295 -38.0435 -38.0435 -38.0386 -38.0386 -11.3817 -11.3817 -10.6660 -10.6660 -0.9232 -0.9232 1.3648 1.3648 1.5977 1.5977 1.7376 1.7376 2.0687 2.0687 2.2478 2.2478 8.2423 8.2423 10.0078 10.0078 11.7431 11.7431 12.6227 12.6227 k = 0.0789-0.1187-0.2328 ( 3425 PWs) bands (ev): -71.3886 -71.3886 -38.3296 -38.3296 -38.0436 -38.0436 -38.0386 -38.0386 -11.3680 -11.3680 -10.6600 -10.6600 -0.9031 -0.9031 1.3086 1.3086 1.5360 1.5360 1.7117 1.7117 2.0484 2.0484 2.2417 2.2417 8.3203 8.3203 10.0876 10.0876 11.6605 11.6605 12.5884 12.5884 k = 0.0845-0.1272-0.2494 ( 3419 PWs) bands (ev): -71.3886 -71.3886 -38.3296 -38.3296 -38.0437 -38.0437 -38.0386 -38.0386 -11.3534 -11.3534 -10.6537 -10.6537 -0.8817 -0.8817 1.2506 1.2506 1.4683 1.4683 1.6886 1.6886 2.0264 2.0264 2.2354 2.2354 8.4005 8.4005 10.1701 10.1701 11.5791 11.5791 12.5464 12.5464 k = 0.0902-0.1357-0.2660 ( 3423 PWs) bands (ev): -71.3886 -71.3886 -38.3297 -38.3297 -38.0438 -38.0438 -38.0386 -38.0386 -11.3380 -11.3380 -10.6471 -10.6471 -0.8591 -0.8591 1.1912 1.1912 1.3971 1.3971 1.6663 1.6663 2.0027 2.0027 2.2289 2.2289 8.4824 8.4824 10.2548 10.2548 11.4992 11.4992 12.4994 12.4994 k = 0.0958-0.1442-0.2826 ( 3421 PWs) bands (ev): -71.3886 -71.3886 -38.3297 -38.3297 -38.0439 -38.0439 -38.0386 -38.0386 -11.3217 -11.3217 -10.6404 -10.6404 -0.8355 -0.8355 1.1308 1.1308 1.3236 1.3236 1.6440 1.6440 1.9773 1.9773 2.2222 2.2222 8.5655 8.5655 10.3414 10.3414 11.4213 11.4213 12.4498 12.4498 k = 0.1014-0.1527-0.2993 ( 3419 PWs) bands (ev): -71.3885 -71.3885 -38.3298 -38.3298 -38.0440 -38.0440 -38.0386 -38.0386 -11.3048 -11.3048 -10.6334 -10.6334 -0.8108 -0.8108 1.0697 1.0697 1.2488 1.2488 1.6211 1.6211 1.9503 1.9503 2.2152 2.2152 8.6493 8.6493 10.4293 10.4293 11.3459 11.3459 12.3992 12.3992 k = 0.1071-0.1611-0.3159 ( 3407 PWs) bands (ev): -71.3885 -71.3885 -38.3298 -38.3298 -38.0441 -38.0441 -38.0386 -38.0386 -11.2871 -11.2871 -10.6262 -10.6262 -0.7852 -0.7852 1.0083 1.0083 1.1734 1.1734 1.5976 1.5976 1.9215 1.9215 2.2079 2.2079 8.7334 8.7334 10.5183 10.5183 11.2732 11.2732 12.3487 12.3487 k = 0.1127-0.1696-0.3325 ( 3401 PWs) bands (ev): -71.3885 -71.3885 -38.3299 -38.3299 -38.0442 -38.0442 -38.0386 -38.0386 -11.2687 -11.2687 -10.6189 -10.6189 -0.7588 -0.7588 0.9468 0.9468 1.0979 1.0979 1.5731 1.5731 1.8911 1.8911 2.2003 2.2003 8.8175 8.8175 10.6080 10.6080 11.2036 11.2036 12.2992 12.2992 k = 0.1184-0.1781-0.3491 ( 3403 PWs) bands (ev): -71.3885 -71.3885 -38.3300 -38.3300 -38.0444 -38.0444 -38.0386 -38.0386 -11.2497 -11.2497 -10.6115 -10.6115 -0.7317 -0.7317 0.8856 0.8856 1.0227 1.0227 1.5477 1.5477 1.8591 1.8591 2.1924 2.1924 8.9010 8.9010 10.6980 10.6980 11.1375 11.1375 12.2513 12.2513 k = 0.1240-0.1866-0.3658 ( 3401 PWs) bands (ev): -71.3885 -71.3885 -38.3300 -38.3300 -38.0445 -38.0445 -38.0386 -38.0386 -11.2301 -11.2301 -10.6040 -10.6040 -0.7040 -0.7040 0.8250 0.8250 0.9485 0.9485 1.5214 1.5214 1.8255 1.8255 2.1840 2.1840 8.9836 8.9836 10.7880 10.7880 11.0751 11.0751 12.2057 12.2057 k = 0.1296-0.1951-0.3824 ( 3399 PWs) bands (ev): -71.3885 -71.3885 -38.3301 -38.3301 -38.0446 -38.0446 -38.0387 -38.0387 -11.2100 -11.2100 -10.5965 -10.5965 -0.6759 -0.6759 0.7651 0.7651 0.8754 0.8754 1.4940 1.4940 1.7903 1.7903 2.1753 2.1753 9.0647 9.0647 10.8776 10.8776 11.0169 11.0169 12.1628 12.1628 k = 0.1353-0.2035-0.3990 ( 3403 PWs) bands (ev): -71.3885 -71.3885 -38.3302 -38.3302 -38.0447 -38.0447 -38.0387 -38.0387 -11.1894 -11.1894 -10.5890 -10.5890 -0.6477 -0.6477 0.7062 0.7062 0.8040 0.8040 1.4658 1.4658 1.7537 1.7537 2.1661 2.1661 9.1440 9.1440 10.9577 10.9577 10.9719 10.9719 12.1230 12.1230 k = 0.1409-0.2120-0.4156 ( 3403 PWs) bands (ev): -71.3885 -71.3885 -38.3303 -38.3303 -38.0449 -38.0449 -38.0387 -38.0387 -11.1683 -11.1683 -10.5816 -10.5816 -0.6194 -0.6194 0.6485 0.6485 0.7347 0.7347 1.4366 1.4366 1.7156 1.7156 2.1564 2.1564 9.2210 9.2210 10.9128 10.9128 11.0557 11.0557 12.0867 12.0867 k = 0.1465-0.2205-0.4323 ( 3401 PWs) bands (ev): -71.3885 -71.3885 -38.3303 -38.3303 -38.0450 -38.0450 -38.0387 -38.0387 -11.1468 -11.1468 -10.5743 -10.5743 -0.5914 -0.5914 0.5923 0.5923 0.6679 0.6679 1.4067 1.4067 1.6761 1.6761 2.1463 2.1463 9.2952 9.2952 10.8686 10.8686 11.1423 11.1423 12.0546 12.0546 k = 0.1522-0.2290-0.4489 ( 3405 PWs) bands (ev): -71.3885 -71.3885 -38.3304 -38.3304 -38.0451 -38.0451 -38.0387 -38.0387 -11.1251 -11.1251 -10.5671 -10.5671 -0.5639 -0.5639 0.5375 0.5375 0.6040 0.6040 1.3760 1.3760 1.6353 1.6353 2.1357 2.1357 9.3660 9.3660 10.8296 10.8296 11.2270 11.2270 12.0271 12.0271 k = 0.1578-0.2375-0.4655 ( 3408 PWs) bands (ev): -71.3885 -71.3885 -38.3305 -38.3305 -38.0453 -38.0453 -38.0387 -38.0387 -11.1030 -11.1030 -10.5600 -10.5600 -0.5373 -0.5373 0.4845 0.4845 0.5436 0.5436 1.3447 1.3447 1.5933 1.5933 2.1245 2.1245 9.4328 9.4328 10.7963 10.7963 11.3088 11.3088 12.0051 12.0051 k = 0.1634-0.2459-0.4821 ( 3406 PWs) bands (ev): -71.3884 -71.3884 -38.3306 -38.3306 -38.0454 -38.0454 -38.0388 -38.0388 -11.0807 -11.0807 -10.5532 -10.5532 -0.5121 -0.5121 0.4333 0.4333 0.4870 0.4870 1.3130 1.3130 1.5500 1.5500 2.1128 2.1128 9.4952 9.4952 10.7690 10.7690 11.3865 11.3865 11.9898 11.9898 k = 0.1691-0.2544-0.4988 ( 3398 PWs) bands (ev): -71.3884 -71.3884 -38.3306 -38.3306 -38.0455 -38.0455 -38.0388 -38.0388 -11.0583 -11.0583 -10.5466 -10.5466 -0.4887 -0.4887 0.3842 0.3842 0.4346 0.4346 1.2810 1.2810 1.5056 1.5056 2.1006 2.1006 9.5525 9.5525 10.7479 10.7479 11.4582 11.4582 11.9830 11.9830 k = 0.1747-0.2629-0.5154 ( 3396 PWs) bands (ev): -71.3884 -71.3884 -38.3307 -38.3307 -38.0456 -38.0456 -38.0388 -38.0388 -11.0357 -11.0357 -10.5403 -10.5403 -0.4675 -0.4675 0.3375 0.3375 0.3869 0.3869 1.2489 1.2489 1.4601 1.4601 2.0879 2.0879 9.6041 9.6041 10.7334 10.7334 11.5213 11.5213 11.9871 11.9871 k = 0.1803-0.2714-0.5320 ( 3394 PWs) bands (ev): -71.3884 -71.3884 -38.3307 -38.3307 -38.0457 -38.0457 -38.0388 -38.0388 -11.0131 -11.0131 -10.5343 -10.5343 -0.4492 -0.4492 0.2936 0.2936 0.3438 0.3438 1.2170 1.2170 1.4136 1.4136 2.0746 2.0746 9.6498 9.6498 10.7254 10.7254 11.5732 11.5732 12.0047 12.0047 k = 0.1860-0.2799-0.5486 ( 3396 PWs) bands (ev): -71.3884 -71.3884 -38.3308 -38.3308 -38.0459 -38.0459 -38.0388 -38.0388 -10.9905 -10.9905 -10.5287 -10.5287 -0.4343 -0.4343 0.2528 0.2528 0.3056 0.3056 1.1856 1.1856 1.3663 1.3663 2.0607 2.0607 9.6892 9.6892 10.7238 10.7238 11.6119 11.6119 12.0373 12.0373 k = 0.1916-0.2883-0.5653 ( 3396 PWs) bands (ev): -71.3884 -71.3884 -38.3309 -38.3309 -38.0460 -38.0460 -38.0388 -38.0388 -10.9679 -10.9679 -10.5234 -10.5234 -0.4234 -0.4234 0.2155 0.2155 0.2725 0.2725 1.1549 1.1549 1.3181 1.3181 2.0464 2.0464 9.7224 9.7224 10.7281 10.7281 11.6380 11.6380 12.0842 12.0842 k = 0.1973-0.2968-0.5819 ( 3400 PWs) bands (ev): -71.3884 -71.3884 -38.3310 -38.3310 -38.0461 -38.0461 -38.0388 -38.0388 -10.9455 -10.9455 -10.5186 -10.5186 -0.4166 -0.4166 0.1817 0.1817 0.2446 0.2446 1.1255 1.1255 1.2692 1.2692 2.0314 2.0314 9.7497 9.7497 10.7376 10.7376 11.6540 11.6540 12.1425 12.1425 k = 0.2029-0.3053-0.5985 ( 3392 PWs) bands (ev): -71.3884 -71.3884 -38.3310 -38.3310 -38.0462 -38.0462 -38.0388 -38.0388 -10.9232 -10.9232 -10.5142 -10.5142 -0.4142 -0.4142 0.1512 0.1512 0.2218 0.2218 1.0976 1.0976 1.2197 1.2197 2.0160 2.0160 9.7714 9.7714 10.7513 10.7513 11.6631 11.6631 12.2087 12.2087 k = 0.2085-0.3138-0.6151 ( 3382 PWs) bands (ev): -71.3884 -71.3884 -38.3311 -38.3311 -38.0463 -38.0463 -38.0388 -38.0388 -10.9012 -10.9012 -10.5103 -10.5103 -0.4158 -0.4158 0.1240 0.1240 0.2036 0.2036 1.0719 1.0719 1.1696 1.1696 2.0000 2.0000 9.7884 9.7884 10.7680 10.7680 11.6680 11.6680 12.2796 12.2796 k = 0.2142-0.3223-0.6318 ( 3382 PWs) bands (ev): -71.3884 -71.3884 -38.3311 -38.3311 -38.0464 -38.0464 -38.0388 -38.0388 -10.8795 -10.8795 -10.5069 -10.5069 -0.4211 -0.4211 0.1000 0.1000 0.1893 0.1893 1.0488 1.0488 1.1192 1.1192 1.9835 1.9835 9.8011 9.8011 10.7865 10.7865 11.6704 11.6704 12.3529 12.3529 k = 0.2198-0.3307-0.6484 ( 3388 PWs) bands (ev): -71.3884 -71.3884 -38.3312 -38.3312 -38.0465 -38.0465 -38.0389 -38.0389 -10.8581 -10.8581 -10.5039 -10.5039 -0.4291 -0.4291 0.0790 0.0790 0.1778 0.1778 1.0286 1.0286 1.0686 1.0686 1.9666 1.9666 9.8105 9.8105 10.8054 10.8054 11.6711 11.6711 12.4271 12.4271 k = 0.2254-0.3392-0.6650 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3312 -38.3312 -38.0466 -38.0466 -38.0389 -38.0389 -10.8371 -10.8371 -10.5016 -10.5016 -0.4390 -0.4390 0.0611 0.0611 0.1677 0.1677 1.0087 1.0087 1.0215 1.0215 1.9491 1.9491 9.8173 9.8173 10.8235 10.8235 11.6709 11.6709 12.5010 12.5010 k = 0.2311-0.3477-0.6816 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3313 -38.3313 -38.0467 -38.0467 -38.0389 -38.0389 -10.8165 -10.8165 -10.4997 -10.4997 -0.4500 -0.4500 0.0463 0.0463 0.1577 0.1577 0.9640 0.9640 1.0032 1.0032 1.9312 1.9312 9.8219 9.8219 10.8396 10.8396 11.6698 11.6698 12.5735 12.5736 k = 0.2367-0.3562-0.6983 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0468 -38.0468 -38.0389 -38.0389 -10.7965 -10.7965 -10.4985 -10.4985 -0.4612 -0.4612 0.0344 0.0344 0.1468 0.1468 0.9132 0.9132 0.9959 0.9959 1.9129 1.9129 9.8249 9.8249 10.8529 10.8529 11.6679 11.6679 12.6440 12.6440 k = 0.2423-0.3647-0.7149 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0469 -38.0469 -38.0389 -38.0389 -10.7770 -10.7770 -10.4978 -10.4978 -0.4720 -0.4720 0.0254 0.0254 0.1342 0.1342 0.8621 0.8621 0.9939 0.9939 1.8942 1.8942 9.8267 9.8267 10.8626 10.8626 11.6649 11.6649 12.7119 12.7119 k = 0.2480-0.3732-0.7315 ( 3404 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0470 -38.0470 -38.0390 -38.0390 -10.7580 -10.7580 -10.4976 -10.4976 -0.4816 -0.4816 0.0191 0.0191 0.1194 0.1194 0.8111 0.8111 0.9971 0.9971 1.8751 1.8751 9.8276 9.8276 10.8682 10.8682 11.6607 11.6607 12.7766 12.7766 k = 0.2536-0.3816-0.7481 ( 3404 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0470 -38.0470 -38.0390 -38.0390 -10.7397 -10.7397 -10.4981 -10.4981 -0.4898 -0.4898 0.0150 0.0150 0.1026 0.1026 0.7605 0.7605 1.0052 1.0052 1.8557 1.8557 9.8277 9.8277 10.8695 10.8695 11.6549 11.6549 12.8137 12.8137 k = 0.2592-0.3901-0.7648 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0390 -38.0390 -10.7221 -10.7221 -10.4991 -10.4991 -0.4962 -0.4962 0.0120 0.0120 0.0848 0.0848 0.7106 0.7106 1.0180 1.0180 1.8359 1.8359 9.8272 9.8272 10.8665 10.8665 11.6472 11.6472 12.8016 12.8016 k = 0.2649-0.3986-0.7814 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0471 -38.0471 -38.0390 -38.0390 -10.7051 -10.7051 -10.5007 -10.5007 -0.5006 -0.5006 0.0074 0.0074 0.0687 0.0687 0.6614 0.6614 1.0350 1.0350 1.8159 1.8159 9.8261 9.8261 10.8595 10.8595 11.6372 11.6372 12.7954 12.7954 k = 0.2705-0.4071-0.7980 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0390 -38.0390 -10.6888 -10.6888 -10.5029 -10.5029 -0.5028 -0.5028 -0.0035 -0.0035 0.0592 0.0592 0.6134 0.6134 1.0556 1.0556 1.7957 1.7957 9.8243 9.8243 10.8488 10.8488 11.6246 11.6246 12.7949 12.7949 k = 0.2762-0.4156-0.8146 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0390 -38.0390 -10.6733 -10.6733 -10.5056 -10.5056 -0.5030 -0.5030 -0.0230 -0.0230 0.0587 0.0587 0.5671 0.5671 1.0794 1.0794 1.7753 1.7753 9.8215 9.8215 10.8351 10.8351 11.6089 11.6089 12.7996 12.7996 k = 0.2818-0.4240-0.8313 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.6585 -10.6585 -10.5089 -10.5089 -0.5012 -0.5012 -0.0480 -0.0480 0.0643 0.0643 0.5229 0.5229 1.1057 1.1057 1.7547 1.7547 9.8178 9.8178 10.8193 10.8193 11.5899 11.5899 12.8087 12.8087 k = 0.2874-0.4325-0.8479 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.6445 -10.6445 -10.5126 -10.5126 -0.4977 -0.4977 -0.0754 -0.0754 0.0726 0.0726 0.4819 0.4819 1.1342 1.1342 1.7340 1.7340 9.8127 9.8127 10.8022 10.8022 11.5673 11.5673 12.8209 12.8209 k = 0.2931-0.4410-0.8645 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.6313 -10.6313 -10.5169 -10.5169 -0.4932 -0.4932 -0.1029 -0.1029 0.0811 0.0811 0.4455 0.4455 1.1643 1.1643 1.7133 1.7133 9.8059 9.8059 10.7848 10.7848 11.5409 11.5409 12.8348 12.8348 k = 0.2987-0.4495-0.8811 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.6189 -10.6189 -10.5217 -10.5217 -0.4884 -0.4884 -0.1290 -0.1290 0.0872 0.0872 0.4157 0.4157 1.1956 1.1956 1.6926 1.6926 9.7971 9.7971 10.7679 10.7679 11.5105 11.5105 12.8482 12.8482 k = 0.3043-0.4580-0.8978 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.6073 -10.6073 -10.5269 -10.5269 -0.4848 -0.4848 -0.1519 -0.1519 0.0882 0.0882 0.3952 0.3952 1.2277 1.2277 1.6719 1.6719 9.7859 9.7859 10.7526 10.7526 11.4760 11.4760 12.8585 12.8585 k = 0.3100-0.4664-0.9144 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5964 -10.5964 -10.5325 -10.5325 -0.4839 -0.4839 -0.1695 -0.1695 0.0813 0.0813 0.3865 0.3865 1.2605 1.2605 1.6513 1.6513 9.7719 9.7719 10.7395 10.7395 11.4375 11.4375 12.8625 12.8625 k = 0.3156-0.4749-0.9310 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5864 -10.5864 -10.5385 -10.5385 -0.4876 -0.4876 -0.1798 -0.1798 0.0655 0.0655 0.3906 0.3906 1.2935 1.2935 1.6308 1.6308 9.7549 9.7549 10.7294 10.7294 11.3950 11.3950 12.8572 12.8572 k = 0.3212-0.4834-0.9476 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5771 -10.5771 -10.5449 -10.5449 -0.4975 -0.4975 -0.1812 -0.1812 0.0419 0.0419 0.4063 0.4063 1.3265 1.3265 1.6105 1.6105 9.7346 9.7346 10.7227 10.7227 11.3484 11.3484 12.8404 12.8404 k = 0.3269-0.4919-0.9643 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5686 -10.5686 -10.5516 -10.5516 -0.5137 -0.5137 -0.1734 -0.1734 0.0129 0.0129 0.4314 0.4314 1.3593 1.3593 1.5905 1.5905 9.7109 9.7109 10.7199 10.7199 11.2981 11.2981 12.8111 12.8111 k = 0.3325-0.5004-0.9809 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5608 -10.5608 -10.5586 -10.5586 -0.5355 -0.5355 -0.1575 -0.1575 -0.0190 -0.0190 0.4636 0.4636 1.3918 1.3918 1.5708 1.5708 9.6838 9.6838 10.7208 10.7208 11.2440 11.2440 12.7695 12.7695 k = 0.3381-0.5088-0.9975 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5659 -10.5659 -10.5537 -10.5537 -0.5617 -0.5617 -0.1365 -0.1365 -0.0505 -0.0505 0.5012 0.5012 1.4237 1.4237 1.5516 1.5516 9.6534 9.6534 10.7253 10.7253 11.1865 11.1865 12.7165 12.7165 k = 0.3438-0.5173-1.0141 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5734 -10.5734 -10.5473 -10.5473 -0.5908 -0.5908 -0.1230 -0.1230 -0.0694 -0.0694 0.5430 0.5430 1.4548 1.4548 1.5330 1.5330 9.6200 9.6200 10.7329 10.7329 11.1256 11.1256 12.6537 12.6537 k = 0.6562-0.3663-0.9217 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3318 -38.3318 -38.0474 -38.0474 -38.0391 -38.0391 -10.5734 -10.5734 -10.5473 -10.5473 -0.5908 -0.5908 -0.1230 -0.1230 -0.0694 -0.0694 0.5430 0.5430 1.4548 1.4548 1.5330 1.5330 9.6200 9.6200 10.7329 10.7329 11.1256 11.1256 12.6537 12.6537 k = 0.6506-0.3479-0.9217 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0391 -38.0391 -10.5810 -10.5810 -10.5417 -10.5417 -0.6215 -0.6215 -0.1418 -0.1418 -0.0512 -0.0512 0.5878 0.5878 1.4840 1.4840 1.5159 1.5159 9.5842 9.5842 10.7430 10.7430 11.0623 11.0623 12.5837 12.5837 k = 0.6451-0.3294-0.9217 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5887 -10.5887 -10.5367 -10.5367 -0.6533 -0.6533 -0.1741 -0.1741 -0.0152 -0.0152 0.6351 0.6351 1.4938 1.4938 1.5181 1.5181 9.5459 9.5459 10.7545 10.7545 10.9962 10.9962 12.5081 12.5081 k = 0.6395-0.3109-0.9217 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.5965 -10.5965 -10.5323 -10.5323 -0.6856 -0.6856 -0.2085 -0.2085 0.0269 0.0269 0.6846 0.6846 1.4786 1.4786 1.5449 1.5449 9.5056 9.5056 10.7663 10.7663 10.9276 10.9276 12.4293 12.4293 k = 0.6339-0.2924-0.9217 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.6044 -10.6044 -10.5284 -10.5284 -0.7179 -0.7179 -0.2430 -0.2430 0.0727 0.0727 0.7356 0.7356 1.4629 1.4629 1.5721 1.5721 9.4634 9.4634 10.7769 10.7769 10.8567 10.8567 12.3501 12.3501 k = 0.6283-0.2740-0.9217 ( 3382 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0474 -38.0474 -38.0390 -38.0390 -10.6123 -10.6123 -10.5251 -10.5251 -0.7500 -0.7500 -0.2770 -0.2770 0.1214 0.1214 0.7878 0.7878 1.4480 1.4480 1.5985 1.5985 9.4197 9.4197 10.7826 10.7826 10.7858 10.7858 12.2734 12.2734 k = 0.6227-0.2555-0.9217 ( 3378 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.6201 -10.6201 -10.5222 -10.5222 -0.7815 -0.7815 -0.3102 -0.3102 0.1724 0.1724 0.8406 0.8406 1.4343 1.4343 1.6238 1.6238 9.3747 9.3747 10.7089 10.7089 10.7880 10.7880 12.2023 12.2023 k = 0.6172-0.2370-0.9217 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.6280 -10.6280 -10.5199 -10.5199 -0.8124 -0.8124 -0.3424 -0.3424 0.2252 0.2252 0.8934 0.8934 1.4221 1.4221 1.6481 1.6481 9.3287 9.3287 10.6327 10.6327 10.7843 10.7843 12.1398 12.1398 k = 0.6116-0.2185-0.9217 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.6357 -10.6357 -10.5179 -10.5179 -0.8425 -0.8425 -0.3736 -0.3736 0.2795 0.2795 0.9456 0.9456 1.4117 1.4117 1.6711 1.6711 9.2818 9.2818 10.5555 10.5555 10.7720 10.7720 12.0889 12.0889 k = 0.6060-0.2001-0.9217 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3317 -38.3317 -38.0473 -38.0473 -38.0390 -38.0390 -10.6433 -10.6433 -10.5163 -10.5163 -0.8715 -0.8715 -0.4035 -0.4035 0.3349 0.3349 0.9961 0.9961 1.4040 1.4040 1.6930 1.6930 9.2341 9.2341 10.4775 10.4775 10.7496 10.7496 12.0519 12.0519 k = 0.6004-0.1816-0.9217 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0390 -38.0390 -10.6508 -10.6508 -10.5151 -10.5151 -0.8996 -0.8996 -0.4322 -0.4322 0.3910 0.3910 1.0438 1.0438 1.3998 1.3998 1.7137 1.7137 9.1860 9.1860 10.3992 10.3992 10.7167 10.7167 12.0299 12.0299 k = 0.5948-0.1631-0.9217 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0389 -38.0389 -10.6580 -10.6580 -10.5142 -10.5142 -0.9264 -0.9264 -0.4596 -0.4596 0.4474 0.4474 1.0870 1.0870 1.4005 1.4005 1.7331 1.7331 9.1374 9.1374 10.3210 10.3210 10.6740 10.6740 12.0229 12.0229 k = 0.5893-0.1446-0.9217 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0389 -38.0389 -10.6650 -10.6650 -10.5135 -10.5135 -0.9521 -0.9521 -0.4856 -0.4856 0.5038 0.5038 1.1239 1.1239 1.4077 1.4077 1.7514 1.7514 9.0886 9.0886 10.2434 10.2434 10.6229 10.6229 12.0299 12.0299 k = 0.5837-0.1262-0.9217 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0389 -38.0389 -10.6718 -10.6718 -10.5131 -10.5131 -0.9764 -0.9764 -0.5102 -0.5102 0.5598 0.5598 1.1525 1.1525 1.4228 1.4228 1.7684 1.7684 9.0397 9.0397 10.1668 10.1668 10.5655 10.5655 12.0492 12.0492 k = 0.5781-0.1077-0.9217 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0473 -38.0473 -38.0389 -38.0389 -10.6783 -10.6783 -10.5129 -10.5129 -0.9994 -0.9994 -0.5333 -0.5333 0.6150 0.6150 1.1722 1.1722 1.4462 1.4462 1.7843 1.7843 8.9910 8.9910 10.0917 10.0917 10.5042 10.5042 12.0786 12.0786 k = 0.5725-0.0892-0.9217 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0389 -38.0389 -10.6844 -10.6844 -10.5129 -10.5129 -1.0210 -1.0210 -0.5550 -0.5550 0.6689 0.6689 1.1841 1.1841 1.4766 1.4766 1.7990 1.7990 8.9428 8.9428 10.0186 10.0186 10.4413 10.4413 12.1159 12.1159 k = 0.5670-0.0707-0.9217 ( 3394 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0389 -38.0389 -10.6902 -10.6902 -10.5130 -10.5130 -1.0411 -1.0411 -0.5751 -0.5751 0.7211 0.7211 1.1900 1.1900 1.5117 1.5117 1.8125 1.8125 8.8952 8.8952 9.9481 9.9481 10.3786 10.3786 12.1592 12.1592 k = 0.5614-0.0522-0.9217 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3316 -38.3316 -38.0472 -38.0472 -38.0389 -38.0389 -10.6957 -10.6957 -10.5132 -10.5132 -1.0598 -1.0598 -0.5938 -0.5938 0.7713 0.7713 1.1920 1.1920 1.5490 1.5490 1.8249 1.8249 8.8487 8.8487 9.8807 9.8807 10.3178 10.3178 12.2066 12.2066 k = 0.5558-0.0338-0.9217 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7007 -10.7007 -10.5135 -10.5135 -1.0769 -1.0769 -0.6109 -0.6109 0.8189 0.8189 1.1916 1.1916 1.5867 1.5867 1.8363 1.8363 8.8038 8.8038 9.8170 9.8170 10.2600 10.2600 12.2565 12.2565 k = 0.5502-0.0153-0.9217 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7054 -10.7054 -10.5139 -10.5139 -1.0925 -1.0925 -0.6264 -0.6264 0.8634 0.8634 1.1899 1.1899 1.6234 1.6234 1.8467 1.8467 8.7608 8.7608 9.7574 9.7574 10.2062 10.2062 12.3071 12.3071 k = 0.5446 0.0032-0.9217 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7096 -10.7096 -10.5143 -10.5143 -1.1066 -1.1066 -0.6403 -0.6403 0.9046 0.9046 1.1877 1.1877 1.6579 1.6579 1.8562 1.8562 8.7203 8.7203 9.7025 9.7025 10.1572 10.1572 12.3574 12.3574 k = 0.5391 0.0217-0.9217 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7133 -10.7133 -10.5147 -10.5147 -1.1190 -1.1190 -0.6527 -0.6527 0.9418 0.9418 1.1854 1.1854 1.6894 1.6894 1.8648 1.8648 8.6829 8.6829 9.6527 9.6527 10.1133 10.1133 12.4056 12.4056 k = 0.5335 0.0401-0.9217 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7166 -10.7166 -10.5150 -10.5150 -1.1298 -1.1298 -0.6634 -0.6634 0.9746 0.9746 1.1833 1.1833 1.7174 1.7174 1.8726 1.8726 8.6491 8.6491 9.6086 9.6086 10.0750 10.0750 12.4506 12.4506 k = 0.5279 0.0586-0.9217 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7194 -10.7194 -10.5154 -10.5154 -1.1390 -1.1390 -0.6724 -0.6724 1.0028 1.0028 1.1818 1.1818 1.7413 1.7413 1.8797 1.8797 8.6194 8.6194 9.5704 9.5704 10.0425 10.0425 12.4912 12.4912 k = 0.5223 0.0771-0.9217 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7217 -10.7217 -10.5157 -10.5157 -1.1465 -1.1465 -0.6799 -0.6799 1.0258 1.0258 1.1808 1.1808 1.7608 1.7608 1.8859 1.8859 8.5944 8.5944 9.5387 9.5387 10.0158 10.0158 12.5263 12.5263 k = 0.5167 0.0956-0.9217 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7235 -10.7235 -10.5160 -10.5160 -1.1524 -1.1524 -0.6857 -0.6857 1.0437 1.0437 1.1804 1.1804 1.7759 1.7759 1.8912 1.8912 8.5744 8.5744 9.5137 9.5137 9.9950 9.9950 12.5548 12.5548 k = 0.5112 0.1140-0.9217 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7248 -10.7248 -10.5161 -10.5161 -1.1566 -1.1566 -0.6898 -0.6898 1.0562 1.0562 1.1805 1.1805 1.7864 1.7864 1.8952 1.8952 8.5599 8.5599 9.4957 9.4957 9.9801 9.9801 12.5757 12.5757 k = 0.5056 0.1325-0.9217 ( 3398 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0387 -38.0387 -10.7256 -10.7256 -10.5163 -10.5163 -1.1591 -1.1591 -0.6923 -0.6923 1.0637 1.0637 1.1807 1.1807 1.7927 1.7927 1.8978 1.8978 8.5510 8.5510 9.4848 9.4848 9.9712 9.9712 12.5886 12.5886 k = 0.5000 0.1510-0.9217 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0387 -38.0387 -10.7258 -10.7258 -10.5163 -10.5163 -1.1599 -1.1599 -0.6931 -0.6931 1.0661 1.0661 1.1808 1.1808 1.7948 1.7948 1.8987 1.8987 8.5481 8.5481 9.4812 9.4812 9.9682 9.9682 12.5930 12.5930 k = 0.5000 0.1510-0.9217 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0387 -38.0387 -10.7258 -10.7258 -10.5163 -10.5163 -1.1599 -1.1599 -0.6931 -0.6931 1.0661 1.0661 1.1808 1.1808 1.7948 1.7948 1.8987 1.8987 8.5481 8.5481 9.4812 9.4812 9.9682 9.9682 12.5930 12.5930 k = 0.5156 0.1557-0.9124 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0387 -38.0387 -10.7256 -10.7256 -10.5166 -10.5166 -1.1592 -1.1592 -0.6921 -0.6921 1.0664 1.0664 1.1804 1.1804 1.7939 1.7939 1.8968 1.8968 8.5499 8.5499 9.4844 9.4844 9.9698 9.9698 12.5947 12.5947 k = 0.5312 0.1604-0.9032 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7250 -10.7250 -10.5177 -10.5177 -1.1572 -1.1572 -0.6891 -0.6891 1.0675 1.0675 1.1795 1.1795 1.7912 1.7912 1.8909 1.8909 8.5554 8.5554 9.4940 9.4940 9.9747 9.9747 12.5998 12.5998 k = 0.5469 0.1651-0.8939 ( 3401 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7239 -10.7239 -10.5195 -10.5195 -1.1538 -1.1538 -0.6842 -0.6842 1.0691 1.0691 1.1780 1.1780 1.7864 1.7864 1.8815 1.8815 8.5646 8.5646 9.5099 9.5099 9.9829 9.9829 12.6083 12.6083 k = 0.5625 0.1699-0.8847 ( 3403 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0472 -38.0472 -38.0388 -38.0388 -10.7224 -10.7224 -10.5219 -10.5219 -1.1491 -1.1491 -0.6773 -0.6773 1.0714 1.0714 1.1761 1.1761 1.7791 1.7791 1.8690 1.8690 8.5773 8.5773 9.5320 9.5320 9.9943 9.9943 12.6200 12.6200 k = 0.5781 0.1746-0.8754 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.7205 -10.7205 -10.5251 -10.5251 -1.1431 -1.1431 -0.6685 -0.6685 1.0741 1.0741 1.1737 1.1737 1.7687 1.7687 1.8544 1.8544 8.5936 8.5936 9.5599 9.5599 10.0090 10.0090 12.6178 12.6178 k = 0.5937 0.1793-0.8662 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.7183 -10.7183 -10.5289 -10.5289 -1.1357 -1.1357 -0.6579 -0.6579 1.0773 1.0773 1.1712 1.1712 1.7542 1.7542 1.8388 1.8388 8.6132 8.6132 9.5935 9.5935 10.0269 10.0269 12.5759 12.5759 k = 0.6094 0.1840-0.8569 ( 3401 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.7156 -10.7156 -10.5333 -10.5333 -1.1271 -1.1271 -0.6456 -0.6456 1.0807 1.0807 1.1688 1.1688 1.7344 1.7344 1.8235 1.8235 8.6362 8.6362 9.6323 9.6323 10.0479 10.0479 12.5283 12.5283 k = 0.6250 0.1887-0.8477 ( 3401 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.7126 -10.7126 -10.5383 -10.5383 -1.1171 -1.1171 -0.6316 -0.6316 1.0840 1.0840 1.1667 1.1667 1.7090 1.7090 1.8093 1.8093 8.6622 8.6622 9.6760 9.6760 10.0720 10.0720 12.4762 12.4762 k = 0.6406 0.1934-0.8384 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0388 -38.0388 -10.7094 -10.7094 -10.5438 -10.5438 -1.1058 -1.1058 -0.6162 -0.6162 1.0870 1.0870 1.1654 1.1654 1.6782 1.6782 1.7964 1.7964 8.6913 8.6913 9.7240 9.7240 10.0992 10.0992 12.4210 12.4210 k = 0.6562 0.1982-0.8292 ( 3401 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.7058 -10.7058 -10.5499 -10.5499 -1.0934 -1.0934 -0.5994 -0.5994 1.0892 1.0892 1.1653 1.1653 1.6427 1.6427 1.7842 1.7842 8.7231 8.7231 9.7757 9.7757 10.1295 10.1295 12.3633 12.3633 k = 0.6562 0.1982-0.8292 ( 3401 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.7058 -10.7058 -10.5499 -10.5499 -1.0934 -1.0934 -0.5994 -0.5994 1.0892 1.0892 1.1653 1.1653 1.6427 1.6427 1.7842 1.7842 8.7231 8.7231 9.7757 9.7757 10.1295 10.1295 12.3633 12.3633 k = 0.6530 0.1972-0.8100 ( 3401 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0388 -38.0388 -10.7064 -10.7064 -10.5569 -10.5569 -1.0859 -1.0859 -0.5869 -0.5869 1.1001 1.1001 1.1788 1.1788 1.6266 1.6266 1.7845 1.7845 8.7324 8.7324 9.7975 9.7975 10.1273 10.1273 12.3494 12.3494 k = 0.6497 0.1962-0.7908 ( 3400 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0470 -38.0470 -38.0388 -38.0388 -10.7085 -10.7085 -10.5644 -10.5644 -1.0748 -1.0748 -0.5720 -0.5720 1.1101 1.1101 1.1929 1.1929 1.6107 1.6107 1.7857 1.7857 8.7453 8.7453 9.8209 9.8209 10.1290 10.1290 12.3374 12.3374 k = 0.6465 0.1952-0.7716 ( 3404 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0470 -38.0470 -38.0388 -38.0388 -10.7122 -10.7122 -10.5721 -10.5721 -1.0602 -1.0602 -0.5546 -0.5546 1.1197 1.1197 1.2069 1.2069 1.5950 1.5950 1.7880 1.7880 8.7616 8.7616 9.8460 9.8460 10.1346 10.1346 12.3273 12.3273 k = 0.6432 0.1942-0.7524 ( 3404 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0470 -38.0470 -38.0388 -38.0388 -10.7175 -10.7175 -10.5801 -10.5801 -1.0423 -1.0423 -0.5346 -0.5346 1.1294 1.1294 1.2204 1.2204 1.5798 1.5798 1.7911 1.7911 8.7813 8.7813 9.8729 9.8729 10.1441 10.1441 12.3193 12.3193 k = 0.6399 0.1932-0.7332 ( 3404 PWs) bands (ev): -71.3883 -71.3883 -38.3313 -38.3313 -38.0469 -38.0469 -38.0388 -38.0388 -10.7243 -10.7243 -10.5883 -10.5883 -1.0210 -1.0210 -0.5123 -0.5123 1.1394 1.1394 1.2330 1.2330 1.5653 1.5653 1.7951 1.7951 8.8042 8.8042 9.9014 9.9014 10.1574 10.1574 12.3133 12.3133 k = 0.6367 0.1923-0.7140 ( 3400 PWs) bands (ev): -71.3884 -71.3884 -38.3313 -38.3313 -38.0468 -38.0468 -38.0387 -38.0387 -10.7325 -10.7325 -10.5968 -10.5968 -0.9966 -0.9966 -0.4876 -0.4876 1.1499 1.1499 1.2445 1.2445 1.5516 1.5516 1.7998 1.7998 8.8302 8.8302 9.9315 9.9315 10.1745 10.1745 12.3094 12.3094 k = 0.6334 0.1913-0.6948 ( 3398 PWs) bands (ev): -71.3884 -71.3884 -38.3312 -38.3312 -38.0467 -38.0467 -38.0387 -38.0387 -10.7422 -10.7422 -10.6055 -10.6055 -0.9692 -0.9692 -0.4605 -0.4605 1.1610 1.1610 1.2547 1.2547 1.5389 1.5389 1.8053 1.8053 8.8591 8.8591 9.9633 9.9633 10.1955 10.1955 12.3075 12.3075 k = 0.6302 0.1903-0.6756 ( 3396 PWs) bands (ev): -71.3884 -71.3884 -38.3312 -38.3312 -38.0466 -38.0466 -38.0387 -38.0387 -10.7531 -10.7531 -10.6144 -10.6144 -0.9390 -0.9390 -0.4312 -0.4312 1.1725 1.1725 1.2637 1.2637 1.5274 1.5274 1.8114 1.8114 8.8907 8.8907 9.9967 9.9967 10.2203 10.2203 12.3076 12.3076 k = 0.6269 0.1893-0.6564 ( 3400 PWs) bands (ev): -71.3884 -71.3884 -38.3312 -38.3312 -38.0466 -38.0466 -38.0387 -38.0387 -10.7652 -10.7652 -10.6236 -10.6236 -0.9062 -0.9062 -0.3997 -0.3997 1.1845 1.1845 1.2716 1.2716 1.5172 1.5172 1.8182 1.8182 8.9247 8.9247 10.0315 10.0315 10.2489 10.2489 12.3094 12.3094 k = 0.6237 0.1883-0.6372 ( 3398 PWs) bands (ev): -71.3884 -71.3884 -38.3311 -38.3311 -38.0465 -38.0465 -38.0387 -38.0387 -10.7784 -10.7784 -10.6330 -10.6330 -0.8711 -0.8711 -0.3661 -0.3661 1.1969 1.1969 1.2785 1.2785 1.5084 1.5084 1.8255 1.8255 8.9609 8.9609 10.0679 10.0679 10.2813 10.2813 12.3130 12.3130 k = 0.6204 0.1873-0.6180 ( 3388 PWs) bands (ev): -71.3884 -71.3884 -38.3310 -38.3310 -38.0463 -38.0463 -38.0387 -38.0387 -10.7926 -10.7926 -10.6427 -10.6427 -0.8339 -0.8339 -0.3303 -0.3303 1.2094 1.2094 1.2847 1.2847 1.5011 1.5011 1.8335 1.8335 8.9989 8.9989 10.1057 10.1057 10.3175 10.3175 12.3180 12.3180 k = 0.6172 0.1864-0.5988 ( 3384 PWs) bands (ev): -71.3884 -71.3884 -38.3310 -38.3310 -38.0462 -38.0462 -38.0387 -38.0387 -10.8076 -10.8076 -10.6527 -10.6527 -0.7949 -0.7949 -0.2925 -0.2925 1.2218 1.2218 1.2908 1.2908 1.4953 1.4953 1.8419 1.8419 9.0383 9.0383 10.1447 10.1447 10.3574 10.3574 12.3239 12.3239 k = 0.6139 0.1854-0.5796 ( 3387 PWs) bands (ev): -71.3884 -71.3884 -38.3309 -38.3309 -38.0461 -38.0461 -38.0387 -38.0387 -10.8233 -10.8233 -10.6630 -10.6630 -0.7545 -0.7545 -0.2528 -0.2528 1.2335 1.2335 1.2974 1.2974 1.4909 1.4909 1.8508 1.8508 9.0787 9.0787 10.1850 10.1850 10.4010 10.4010 12.3302 12.3302 k = 0.6107 0.1844-0.5604 ( 3387 PWs) bands (ev): -71.3884 -71.3884 -38.3308 -38.3308 -38.0460 -38.0460 -38.0387 -38.0387 -10.8396 -10.8396 -10.6735 -10.6735 -0.7129 -0.7129 -0.2112 -0.2112 1.2440 1.2440 1.3054 1.3054 1.4881 1.4881 1.8600 1.8600 9.1195 9.1195 10.2263 10.2263 10.4484 10.4484 12.3360 12.3360 k = 0.6074 0.1834-0.5412 ( 3387 PWs) bands (ev): -71.3884 -71.3884 -38.3308 -38.3308 -38.0459 -38.0459 -38.0387 -38.0387 -10.8565 -10.8565 -10.6844 -10.6844 -0.6706 -0.6706 -0.1677 -0.1677 1.2529 1.2529 1.3153 1.3153 1.4866 1.4866 1.8697 1.8697 9.1603 9.1603 10.2685 10.2685 10.4995 10.4995 12.3402 12.3402 k = 0.6041 0.1824-0.5220 ( 3380 PWs) bands (ev): -71.3884 -71.3884 -38.3307 -38.3307 -38.0458 -38.0458 -38.0387 -38.0387 -10.8738 -10.8738 -10.6954 -10.6954 -0.6280 -0.6280 -0.1224 -0.1224 1.2603 1.2603 1.3276 1.3276 1.4866 1.4866 1.8796 1.8796 9.2004 9.2004 10.3115 10.3115 10.5544 10.5544 12.3410 12.3410 k = 0.6009 0.1815-0.5028 ( 3383 PWs) bands (ev): -71.3884 -71.3884 -38.3306 -38.3306 -38.0456 -38.0456 -38.0387 -38.0387 -10.8914 -10.8914 -10.7067 -10.7067 -0.5855 -0.5855 -0.0753 -0.0753 1.2666 1.2666 1.3418 1.3418 1.4881 1.4881 1.8898 1.8898 9.2393 9.2393 10.3547 10.3547 10.6130 10.6130 12.3360 12.3360 k = 0.5976 0.1805-0.4836 ( 3387 PWs) bands (ev): -71.3884 -71.3884 -38.3306 -38.3306 -38.0455 -38.0455 -38.0386 -38.0386 -10.9093 -10.9093 -10.7182 -10.7182 -0.5435 -0.5435 -0.0266 -0.0266 1.2724 1.2724 1.3576 1.3576 1.4911 1.4911 1.9003 1.9003 9.2764 9.2764 10.3979 10.3979 10.6753 10.6753 12.3224 12.3224 k = 0.5944 0.1795-0.4644 ( 3389 PWs) bands (ev): -71.3884 -71.3884 -38.3305 -38.3305 -38.0454 -38.0454 -38.0386 -38.0386 -10.9273 -10.9273 -10.7299 -10.7299 -0.5026 -0.5026 0.0237 0.0237 1.2783 1.2783 1.3744 1.3744 1.4959 1.4959 1.9108 1.9108 9.3109 9.3109 10.4405 10.4405 10.7413 10.7413 12.2973 12.2973 k = 0.5911 0.1785-0.4452 ( 3386 PWs) bands (ev): -71.3884 -71.3884 -38.3304 -38.3304 -38.0453 -38.0453 -38.0386 -38.0386 -10.9455 -10.9455 -10.7417 -10.7417 -0.4630 -0.4630 0.0755 0.0755 1.2847 1.2847 1.3920 1.3920 1.5025 1.5025 1.9215 1.9215 9.3422 9.3422 10.4818 10.4818 10.8111 10.8111 12.2589 12.2589 k = 0.5879 0.1775-0.4260 ( 3384 PWs) bands (ev): -71.3885 -71.3885 -38.3304 -38.3304 -38.0451 -38.0451 -38.0386 -38.0386 -10.9636 -10.9636 -10.7535 -10.7535 -0.4251 -0.4251 0.1287 0.1287 1.2920 1.2920 1.4101 1.4101 1.5112 1.5112 1.9322 1.9322 9.3697 9.3697 10.5207 10.5207 10.8845 10.8845 12.2080 12.2080 k = 0.5846 0.1765-0.4068 ( 3388 PWs) bands (ev): -71.3885 -71.3885 -38.3303 -38.3303 -38.0450 -38.0450 -38.0386 -38.0386 -10.9817 -10.9817 -10.7654 -10.7654 -0.3893 -0.3893 0.1829 0.1829 1.3002 1.3002 1.4285 1.4285 1.5222 1.5222 1.9429 1.9429 9.3928 9.3928 10.5560 10.5560 10.9616 10.9616 12.1480 12.1480 k = 0.5814 0.1756-0.3876 ( 3391 PWs) bands (ev): -71.3885 -71.3885 -38.3302 -38.3302 -38.0449 -38.0449 -38.0386 -38.0386 -10.9996 -10.9996 -10.7773 -10.7773 -0.3559 -0.3559 0.2379 0.2379 1.3095 1.3095 1.4473 1.4473 1.5355 1.5355 1.9535 1.9535 9.4111 9.4111 10.5859 10.5859 11.0422 11.0422 12.0839 12.0839 k = 0.5781 0.1746-0.3684 ( 3391 PWs) bands (ev): -71.3885 -71.3885 -38.3302 -38.3302 -38.0447 -38.0447 -38.0386 -38.0386 -11.0173 -11.0173 -10.7892 -10.7892 -0.3250 -0.3250 0.2934 0.2934 1.3200 1.3200 1.4666 1.4666 1.5512 1.5512 1.9639 1.9639 9.4240 9.4240 10.6084 10.6084 11.1262 11.1262 12.0214 12.0214 k = 0.5749 0.1736-0.3492 ( 3391 PWs) bands (ev): -71.3885 -71.3885 -38.3301 -38.3301 -38.0446 -38.0446 -38.0386 -38.0386 -11.0348 -11.0348 -10.8009 -10.8009 -0.2967 -0.2967 0.3490 0.3490 1.3316 1.3316 1.4865 1.4865 1.5692 1.5692 1.9742 1.9742 9.4314 9.4314 10.6211 10.6211 11.2135 11.2135 11.9655 11.9655 k = 0.5716 0.1726-0.3299 ( 3393 PWs) bands (ev): -71.3885 -71.3885 -38.3300 -38.3300 -38.0445 -38.0445 -38.0386 -38.0386 -11.0520 -11.0520 -10.8125 -10.8125 -0.2712 -0.2712 0.4041 0.4041 1.3447 1.3447 1.5073 1.5073 1.5891 1.5891 1.9842 1.9842 9.4329 9.4329 10.6217 10.6217 11.3038 11.3038 11.9208 11.9208 k = 0.5683 0.1716-0.3107 ( 3399 PWs) bands (ev): -71.3885 -71.3885 -38.3300 -38.3300 -38.0444 -38.0444 -38.0386 -38.0386 -11.0688 -11.0688 -10.8239 -10.8239 -0.2484 -0.2484 0.4581 0.4581 1.3592 1.3592 1.5292 1.5292 1.6109 1.6109 1.9939 1.9939 9.4286 9.4286 10.6084 10.6084 11.3967 11.3967 11.8907 11.8907 k = 0.5651 0.1706-0.2915 ( 3397 PWs) bands (ev): -71.3885 -71.3885 -38.3299 -38.3299 -38.0442 -38.0442 -38.0386 -38.0386 -11.0852 -11.0852 -10.8351 -10.8351 -0.2281 -0.2281 0.5106 0.5106 1.3755 1.3755 1.5520 1.5520 1.6343 1.6343 2.0032 2.0032 9.4185 9.4185 10.5805 10.5805 11.4919 11.4919 11.8774 11.8774 k = 0.5618 0.1697-0.2723 ( 3400 PWs) bands (ev): -71.3885 -71.3885 -38.3298 -38.3298 -38.0441 -38.0441 -38.0385 -38.0385 -11.1011 -11.1011 -10.8461 -10.8461 -0.2104 -0.2104 0.5609 0.5609 1.3938 1.3938 1.5758 1.5758 1.6592 1.6592 2.0121 2.0121 9.4029 9.4029 10.5386 10.5386 11.5883 11.5883 11.8814 11.8814 k = 0.5586 0.1687-0.2531 ( 3399 PWs) bands (ev): -71.3885 -71.3885 -38.3298 -38.3298 -38.0440 -38.0440 -38.0385 -38.0385 -11.1165 -11.1165 -10.8567 -10.8567 -0.1951 -0.1951 0.6084 0.6084 1.4144 1.4144 1.6001 1.6001 1.6854 1.6854 2.0205 2.0205 9.3821 9.3821 10.4845 10.4845 11.6846 11.6846 11.9026 11.9026 k = 0.5553 0.1677-0.2339 ( 3400 PWs) bands (ev): -71.3885 -71.3885 -38.3297 -38.3297 -38.0439 -38.0439 -38.0385 -38.0385 -11.1313 -11.1313 -10.8669 -10.8669 -0.1819 -0.1819 0.6524 0.6524 1.4376 1.4376 1.6248 1.6248 1.7129 1.7129 2.0285 2.0285 9.3566 9.3566 10.4207 10.4207 11.7779 11.7779 11.9412 11.9412 k = 0.5521 0.1667-0.2147 ( 3400 PWs) bands (ev): -71.3886 -71.3886 -38.3296 -38.3296 -38.0438 -38.0438 -38.0385 -38.0385 -11.1455 -11.1455 -10.8768 -10.8768 -0.1708 -0.1708 0.6927 0.6927 1.4635 1.4635 1.6494 1.6494 1.7414 1.7414 2.0358 2.0358 9.3270 9.3270 10.3501 10.3501 11.8632 11.8632 11.9991 11.9991 k = 0.5488 0.1657-0.1955 ( 3399 PWs) bands (ev): -71.3886 -71.3886 -38.3296 -38.3296 -38.0437 -38.0437 -38.0385 -38.0385 -11.1590 -11.1590 -10.8863 -10.8863 -0.1615 -0.1615 0.7289 0.7289 1.4921 1.4921 1.6738 1.6738 1.7707 1.7707 2.0426 2.0426 9.2939 9.2939 10.2751 10.2751 11.9369 11.9369 12.0769 12.0769 k = 0.5456 0.1647-0.1763 ( 3405 PWs) bands (ev): -71.3886 -71.3886 -38.3295 -38.3295 -38.0436 -38.0436 -38.0385 -38.0385 -11.1719 -11.1719 -10.8953 -10.8953 -0.1537 -0.1537 0.7607 0.7607 1.5232 1.5232 1.6977 1.6977 1.8005 1.8005 2.0488 2.0488 9.2581 9.2581 10.1980 10.1980 12.0017 12.0017 12.1690 12.1690 k = 0.5423 0.1638-0.1571 ( 3406 PWs) bands (ev): -71.3886 -71.3886 -38.3295 -38.3295 -38.0435 -38.0435 -38.0385 -38.0385 -11.1840 -11.1840 -10.9038 -10.9038 -0.1474 -0.1474 0.7884 0.7884 1.5564 1.5564 1.7209 1.7209 1.8304 1.8304 2.0543 2.0543 9.2204 9.2204 10.1206 10.1206 12.0624 12.0624 12.2678 12.2678 k = 0.5391 0.1628-0.1379 ( 3400 PWs) bands (ev): -71.3886 -71.3886 -38.3294 -38.3294 -38.0434 -38.0434 -38.0385 -38.0385 -11.1953 -11.1953 -10.9119 -10.9119 -0.1423 -0.1423 0.8121 0.8121 1.5912 1.5912 1.7434 1.7434 1.8598 1.8598 2.0593 2.0593 9.1815 9.1815 10.0443 10.0443 12.1212 12.1212 12.3681 12.3681 k = 0.5358 0.1618-0.1187 ( 3392 PWs) bands (ev): -71.3886 -71.3886 -38.3294 -38.3294 -38.0433 -38.0433 -38.0384 -38.0384 -11.2059 -11.2059 -10.9193 -10.9193 -0.1383 -0.1383 0.8320 0.8320 1.6268 1.6268 1.7652 1.7652 1.8883 1.8883 2.0637 2.0637 9.1423 9.1423 9.9705 9.9705 12.1782 12.1782 12.4661 12.4661 k = 0.5325 0.1608-0.0995 ( 3388 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0432 -38.0432 -38.0384 -38.0384 -11.2156 -11.2156 -10.9263 -10.9263 -0.1351 -0.1351 0.8486 0.8486 1.6624 1.6624 1.7863 1.7863 1.9154 1.9154 2.0677 2.0677 9.1034 9.1034 9.9001 9.9001 12.2330 12.2330 12.5580 12.5580 k = 0.5293 0.1598-0.0803 ( 3394 PWs) bands (ev): -71.3886 -71.3886 -38.3293 -38.3293 -38.0432 -38.0432 -38.0384 -38.0384 -11.2245 -11.2245 -10.9326 -10.9326 -0.1327 -0.1327 0.8623 0.8623 1.6971 1.6971 1.8067 1.8067 1.9403 1.9403 2.0713 2.0713 9.0657 9.0657 9.8341 9.8341 12.2850 12.2850 12.6389 12.6389 k = 0.5260 0.1588-0.0611 ( 3388 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0431 -38.0431 -38.0384 -38.0384 -11.2325 -11.2325 -10.9383 -10.9383 -0.1309 -0.1309 0.8735 0.8735 1.7299 1.7299 1.8265 1.8265 1.9626 1.9626 2.0748 2.0748 9.0300 9.0300 9.7732 9.7732 12.3333 12.3333 12.7044 12.7044 k = 0.5228 0.1579-0.0419 ( 3395 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0431 -38.0431 -38.0384 -38.0384 -11.2396 -11.2396 -10.9434 -10.9434 -0.1296 -0.1296 0.8826 0.8826 1.7599 1.7599 1.8460 1.8460 1.9816 1.9816 2.0786 2.0786 8.9967 8.9967 9.7179 9.7179 12.3773 12.3773 12.7526 12.7526 k = 0.5195 0.1569-0.0227 ( 3389 PWs) bands (ev): -71.3886 -71.3886 -38.3292 -38.3292 -38.0430 -38.0430 -38.0384 -38.0384 -11.2458 -11.2458 -10.9478 -10.9478 -0.1287 -0.1287 0.8898 0.8898 1.7862 1.7862 1.8652 1.8652 1.9968 1.9968 2.0829 2.0829 8.9666 8.9666 9.6689 9.6689 12.4162 12.4162 12.7864 12.7864 k = 0.5163 0.1559-0.0035 ( 3382 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2511 -11.2511 -10.9516 -10.9516 -0.1280 -0.1280 0.8954 0.8954 1.8082 1.8082 1.8838 1.8838 2.0078 2.0078 2.0878 2.0878 8.9402 8.9402 9.6268 9.6268 12.4497 12.4497 12.8098 12.8098 k = 0.5130 0.1549 0.0157 ( 3378 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2555 -11.2555 -10.9547 -10.9547 -0.1276 -0.1276 0.8998 0.8998 1.8256 1.8256 1.9014 1.9014 2.0148 2.0148 2.0932 2.0932 8.9179 8.9179 9.5917 9.5917 12.4772 12.4772 12.8264 12.8264 k = 0.5098 0.1539 0.0349 ( 3373 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0383 -38.0383 -11.2588 -11.2588 -10.9572 -10.9572 -0.1273 -0.1273 0.9030 0.9030 1.8388 1.8388 1.9170 1.9170 2.0185 2.0185 2.0984 2.0984 8.9002 8.9002 9.5641 9.5641 12.4987 12.4987 12.8379 12.8379 k = 0.5065 0.1530 0.0541 ( 3381 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0429 -38.0429 -38.0384 -38.0384 -11.2613 -11.2613 -10.9589 -10.9589 -0.1271 -0.1271 0.9051 0.9051 1.8479 1.8479 1.9294 1.9294 2.0199 2.0199 2.1027 2.1027 8.8873 8.8873 9.5441 9.5441 12.5140 12.5140 12.8447 12.8447 k = 0.5033 0.1520 0.0733 ( 3373 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0383 -38.0383 -11.2627 -11.2627 -10.9599 -10.9599 -0.1270 -0.1270 0.9064 0.9064 1.8533 1.8533 1.9375 1.9375 2.0201 2.0201 2.1055 2.1055 8.8795 8.8795 9.5321 9.5321 12.5231 12.5231 12.8471 12.8471 k = 0.5000 0.1510 0.0925 ( 3370 PWs) bands (ev): -71.3886 -71.3886 -38.3291 -38.3291 -38.0428 -38.0428 -38.0383 -38.0383 -11.2632 -11.2632 -10.9603 -10.9603 -0.1270 -0.1270 0.9068 0.9068 1.8551 1.8551 1.9403 1.9403 2.0200 2.0200 2.1065 2.1065 8.8769 8.8769 9.5281 9.5281 12.5262 12.5262 12.8474 12.8474 k = 0.5000-0.7524-0.4608 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6542 -10.6542 -10.5973 -10.5973 -0.8191 -0.8191 -0.4028 -0.4028 0.8232 0.8232 1.0870 1.0870 1.2867 1.2867 1.5737 1.5737 9.3011 9.3011 10.3815 10.3815 11.0044 11.0044 11.8256 11.8256 k = 0.5164-0.7445-0.4560 ( 3381 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6545 -10.6545 -10.5970 -10.5970 -0.8208 -0.8208 -0.4034 -0.4034 0.8241 0.8241 1.0900 1.0900 1.2856 1.2856 1.5750 1.5750 9.2983 9.2983 10.3803 10.3803 10.9989 10.9989 11.8257 11.8257 k = 0.5329-0.7365-0.4511 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0387 -38.0387 -10.6553 -10.6553 -10.5963 -10.5963 -0.8258 -0.8258 -0.4053 -0.4053 0.8267 0.8267 1.0987 1.0987 1.2825 1.2825 1.5786 1.5786 9.2897 9.2897 10.3765 10.3765 10.9828 10.9828 11.8261 11.8261 k = 0.5493-0.7286-0.4462 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0387 -38.0387 -10.6565 -10.6565 -10.5951 -10.5951 -0.8338 -0.8338 -0.4085 -0.4085 0.8313 0.8313 1.1127 1.1127 1.2775 1.2775 1.5845 1.5845 9.2758 9.2758 10.3698 10.3698 10.9567 10.9567 11.8274 11.8274 k = 0.5658-0.7206-0.4414 ( 3393 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6581 -10.6581 -10.5934 -10.5934 -0.8447 -0.8447 -0.4130 -0.4130 0.8381 0.8381 1.1317 1.1317 1.2708 1.2708 1.5924 1.5924 9.2568 9.2568 10.3597 10.3597 10.9216 10.9216 11.8304 11.8304 k = 0.5822-0.7127-0.4365 ( 3390 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0387 -38.0387 -10.6602 -10.6602 -10.5915 -10.5915 -0.8579 -0.8579 -0.4191 -0.4191 0.8472 0.8472 1.1550 1.1550 1.2629 1.2629 1.6020 1.6020 9.2332 9.2332 10.3456 10.3456 10.8788 10.8788 11.8361 11.8361 k = 0.5987-0.7047-0.4316 ( 3384 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6625 -10.6625 -10.5892 -10.5892 -0.8732 -0.8732 -0.4266 -0.4266 0.8588 0.8588 1.1819 1.1819 1.2539 1.2539 1.6128 1.6128 9.2056 9.2056 10.3270 10.3270 10.8296 10.8296 11.8455 11.8455 k = 0.6151-0.6968-0.4268 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6651 -10.6651 -10.5867 -10.5867 -0.8901 -0.8901 -0.4355 -0.4355 0.8728 0.8728 1.2118 1.2118 1.2443 1.2443 1.6247 1.6247 9.1745 9.1745 10.3035 10.3035 10.7755 10.7755 11.8592 11.8592 k = 0.6316-0.6888-0.4219 ( 3385 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6678 -10.6678 -10.5841 -10.5841 -0.9081 -0.9081 -0.4459 -0.4459 0.8891 0.8891 1.2341 1.2341 1.2444 1.2444 1.6375 1.6375 9.1405 9.1405 10.2751 10.2751 10.7178 10.7178 11.8780 11.8780 k = 0.6480-0.6809-0.4170 ( 3386 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6708 -10.6708 -10.5812 -10.5812 -0.9269 -0.9269 -0.4575 -0.4575 0.9074 0.9074 1.2239 1.2239 1.2789 1.2789 1.6507 1.6507 9.1041 9.1041 10.2417 10.2417 10.6578 10.6578 11.9022 11.9022 k = 0.6644-0.6729-0.4122 ( 3388 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0387 -38.0387 -10.6739 -10.6739 -10.5783 -10.5783 -0.9461 -0.9461 -0.4703 -0.4703 0.9275 0.9275 1.2136 1.2136 1.3149 1.3149 1.6644 1.6644 9.0659 9.0659 10.2039 10.2039 10.5966 10.5966 11.9319 11.9319 k = 0.6809-0.6650-0.4073 ( 3392 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0387 -38.0387 -10.6772 -10.6772 -10.5753 -10.5753 -0.9654 -0.9654 -0.4839 -0.4839 0.9488 0.9488 1.2035 1.2035 1.3520 1.3520 1.6782 1.6782 9.0264 9.0264 10.1622 10.1622 10.5354 10.5354 11.9668 11.9668 k = 0.6973-0.6570-0.4024 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6805 -10.6805 -10.5722 -10.5722 -0.9845 -0.9845 -0.4982 -0.4982 0.9709 0.9709 1.1937 1.1937 1.3898 1.3898 1.6921 1.6921 8.9861 8.9861 10.1172 10.1172 10.4749 10.4749 12.0064 12.0064 k = 0.7138-0.6491-0.3976 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6839 -10.6839 -10.5690 -10.5690 -1.0031 -1.0031 -0.5130 -0.5130 0.9932 0.9932 1.1846 1.1846 1.4279 1.4279 1.7059 1.7059 8.9456 8.9456 10.0698 10.0698 10.4161 10.4161 12.0503 12.0503 k = 0.7302-0.6411-0.3927 ( 3393 PWs) bands (ev): -71.3883 -71.3883 -38.3314 -38.3314 -38.0471 -38.0471 -38.0388 -38.0388 -10.6874 -10.6874 -10.5658 -10.5658 -1.0210 -1.0210 -0.5280 -0.5280 1.0153 1.0153 1.1762 1.1762 1.4659 1.4659 1.7196 1.7196 8.9052 8.9052 10.0207 10.0207 10.3596 10.3596 12.0979 12.0979 k = 0.7467-0.6332-0.3878 ( 3396 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6910 -10.6910 -10.5626 -10.5626 -1.0380 -1.0380 -0.5431 -0.5431 1.0362 1.0362 1.1691 1.1691 1.5035 1.5035 1.7331 1.7331 8.8656 8.8656 9.9707 9.9707 10.3060 10.3060 12.1483 12.1483 k = 0.7631-0.6253-0.3830 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6947 -10.6947 -10.5594 -10.5594 -1.0538 -1.0538 -0.5579 -0.5579 1.0552 1.0552 1.1636 1.1636 1.5403 1.5403 1.7463 1.7463 8.8271 8.8271 9.9206 9.9206 10.2558 10.2558 12.2008 12.2008 k = 0.7795-0.6173-0.3781 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.6983 -10.6983 -10.5562 -10.5562 -1.0685 -1.0685 -0.5724 -0.5724 1.0712 1.0712 1.1607 1.1607 1.5761 1.5761 1.7592 1.7592 8.7902 8.7902 9.8709 9.8709 10.2094 10.2094 12.2546 12.2546 k = 0.7960-0.6094-0.3732 ( 3402 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.7021 -10.7021 -10.5530 -10.5530 -1.0817 -1.0817 -0.5862 -0.5862 1.0827 1.0827 1.1611 1.1611 1.6103 1.6103 1.7718 1.7718 8.7554 8.7554 9.8225 9.8225 10.1672 10.1672 12.3091 12.3091 k = 0.8124-0.6014-0.3684 ( 3401 PWs) bands (ev): -71.3883 -71.3883 -38.3315 -38.3315 -38.0471 -38.0471 -38.0388 -38.0388 -10.7058 -10.7058 -10.5499 -10.5499 -1.0934 -1.0934 -0.5994 -0.5994 1.0892 1.0892 1.1653 1.1653 1.6427 1.6427 1.7842 1.7842 8.7231 8.7231 9.7757 9.7757 10.1295 10.1295 12.3633 12.3633 Writing output data file MgCl2.save init_run : 0.26s CPU 0.64s WALL ( 1 calls) electrons : 121.61s CPU 124.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 121.61s CPU 124.14s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 342 calls) cegterg : 112.15s CPU 113.43s WALL ( 568 calls) Called by sum_band: Called by *egterg: h_psi : 83.37s CPU 84.51s WALL ( 9220 calls) s_psi : 1.58s CPU 1.56s WALL ( 9220 calls) g_psi : 0.10s CPU 0.12s WALL ( 8310 calls) cdiaghg : 28.46s CPU 29.01s WALL ( 8652 calls) cegterg:over : 2.27s CPU 2.17s WALL ( 8310 calls) cegterg:upda : 2.10s CPU 1.90s WALL ( 8310 calls) cegterg:last : 1.00s CPU 1.04s WALL ( 1252 calls) cdiaghg:chol : 1.32s CPU 1.57s WALL ( 8652 calls) cdiaghg:inve : 0.50s CPU 0.58s WALL ( 8652 calls) cdiaghg:para : 1.92s CPU 1.83s WALL ( 17304 calls) Called by h_psi: h_psi:vloc : 79.46s CPU 80.66s WALL ( 9220 calls) h_psi:vnl : 3.80s CPU 3.76s WALL ( 9220 calls) add_vuspsi : 2.06s CPU 1.96s WALL ( 9220 calls) General routines calbec : 1.72s CPU 1.77s WALL ( 9220 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 73.15s CPU 74.14s WALL ( 480124 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.17s WALL ( 684 calls) Parallel routines fft_scatter : 18.66s CPU 18.90s WALL ( 480147 calls) PWSCF : 2m12.42s CPU 2m43.94s WALL This run was terminated on: 17: 4:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=