Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 4:57 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: ./BaxCuSex2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 70 54 15 1243 836 133 Max 71 55 16 1245 860 136 Sum 2535 1975 573 44781 30617 4869 bravais-lattice index = 14 lattice parameter (alat) = 13.5778 a.u. unit-cell volume = 726.1492 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.577803 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.841922 celldm(5)= -0.841922 celldm(6)= 0.683844 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.683844 0.729628 0.000000 ) a(3) = ( -0.841922 -0.364814 0.397590 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.937250 1.257576 ) b(2) = ( 0.000000 1.370561 1.257576 ) b(3) = ( 0.000000 0.000000 2.515152 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0000000 0.0228650), wk = 0.0029586 k( 3) = ( 0.0000000 0.0000000 0.0457300), wk = 0.0029586 k( 4) = ( 0.0000000 0.0000000 0.0685951), wk = 0.0029586 k( 5) = ( 0.0000000 0.0000000 0.0914601), wk = 0.0029586 k( 6) = ( 0.0000000 0.0000000 0.1143251), wk = 0.0029586 k( 7) = ( 0.0000000 0.0000000 0.1371901), wk = 0.0029586 k( 8) = ( 0.0000000 0.0000000 0.1600551), wk = 0.0029586 k( 9) = ( 0.0000000 0.0000000 0.1829202), wk = 0.0029586 k( 10) = ( 0.0000000 0.0000000 0.2057852), wk = 0.0029586 k( 11) = ( 0.0000000 0.0000000 0.2286502), wk = 0.0029586 k( 12) = ( 0.0000000 0.0000000 0.2515152), wk = 0.0029586 k( 13) = ( 0.0000000 0.0000000 0.2743803), wk = 0.0029586 k( 14) = ( 0.0000000 0.0000000 0.2972453), wk = 0.0029586 k( 15) = ( 0.0000000 0.0000000 0.3201103), wk = 0.0029586 k( 16) = ( 0.0000000 0.0000000 0.3429753), wk = 0.0029586 k( 17) = ( 0.0000000 0.0000000 0.3658404), wk = 0.0029586 k( 18) = ( 0.0000000 0.0000000 0.3887054), wk = 0.0029586 k( 19) = ( 0.0000000 0.0000000 0.4115704), wk = 0.0029586 k( 20) = ( 0.0000000 0.0000000 0.4344354), wk = 0.0029586 k( 21) = ( 0.0000000 0.0000000 0.4573004), wk = 0.0029586 k( 22) = ( 0.0000000 0.0000000 0.4801655), wk = 0.0029586 k( 23) = ( 0.0000000 0.0000000 0.5030305), wk = 0.0029586 k( 24) = ( 0.0000000 0.0000000 0.5258955), wk = 0.0029586 k( 25) = ( 0.0000000 0.0000000 0.5487605), wk = 0.0029586 k( 26) = ( 0.0000000 0.0000000 0.5716256), wk = 0.0029586 k( 27) = ( 0.0000000 0.0000000 0.5944906), wk = 0.0029586 k( 28) = ( 0.0000000 0.0000000 0.6173556), wk = 0.0029586 k( 29) = ( 0.0000000 0.0000000 0.6402206), wk = 0.0029586 k( 30) = ( 0.0000000 0.0000000 0.6630856), wk = 0.0029586 k( 31) = ( 0.0000000 0.0000000 0.6859507), wk = 0.0029586 k( 32) = ( 0.0000000 0.0000000 0.7088157), wk = 0.0029586 k( 33) = ( 0.0000000 0.0000000 0.7316807), wk = 0.0029586 k( 34) = ( 0.0000000 0.0000000 0.7545457), wk = 0.0029586 k( 35) = ( 0.0000000 0.0000000 0.7774107), wk = 0.0029586 k( 36) = ( 0.0000000 0.0000000 0.8002758), wk = 0.0029586 k( 37) = ( 0.0000000 0.0000000 0.8231408), wk = 0.0029586 k( 38) = ( 0.0000000 0.0000000 0.8460058), wk = 0.0029586 k( 39) = ( 0.0000000 0.0000000 0.8688708), wk = 0.0029586 k( 40) = ( 0.0000000 0.0000000 0.8917358), wk = 0.0029586 k( 41) = ( 0.0000000 0.0000000 0.9146009), wk = 0.0029586 k( 42) = ( 0.0000000 0.0000000 0.9374659), wk = 0.0029586 k( 43) = ( 0.0000000 0.0000000 0.9603309), wk = 0.0029586 k( 44) = ( 0.0000000 0.0000000 0.9831959), wk = 0.0029586 k( 45) = ( 0.0000000 0.0000000 1.0060610), wk = 0.0029586 k( 46) = ( 0.0000000 0.0000000 1.0289260), wk = 0.0029586 k( 47) = ( 0.0000000 0.0000000 1.0517910), wk = 0.0029586 k( 48) = ( 0.0000000 0.0000000 1.0746560), wk = 0.0029586 k( 49) = ( 0.0000000 0.0000000 1.0975211), wk = 0.0029586 k( 50) = ( 0.0000000 0.0000000 1.1203861), wk = 0.0029586 k( 51) = ( 0.0000000 0.0000000 1.1432511), wk = 0.0029586 k( 52) = ( 0.0000000 0.0000000 1.1661161), wk = 0.0029586 k( 53) = ( 0.0000000 0.0000000 1.1889811), wk = 0.0029586 k( 54) = ( 0.0000000 0.0000000 1.2118462), wk = 0.0029586 k( 55) = ( 0.0000000 0.0000000 1.2347112), wk = 0.0029586 k( 56) = ( 0.0000000 0.0000000 1.2575762), wk = 0.0029586 k( 57) = ( 0.0000000 0.0000000 1.2575762), wk = 0.0029586 k( 58) = ( -0.0078233 0.0180546 1.2575762), wk = 0.0029586 k( 59) = ( -0.0156465 0.0361093 1.2575762), wk = 0.0029586 k( 60) = ( -0.0234698 0.0541639 1.2575762), wk = 0.0029586 k( 61) = ( -0.0312931 0.0722185 1.2575762), wk = 0.0029586 k( 62) = ( -0.0391164 0.0902731 1.2575762), wk = 0.0029586 k( 63) = ( -0.0469396 0.1083278 1.2575762), wk = 0.0029586 k( 64) = ( -0.0469396 0.1083278 1.2575762), wk = 0.0029586 k( 65) = ( -0.0532321 0.1228497 1.2417496), wk = 0.0029586 k( 66) = ( -0.0595246 0.1373716 1.2259230), wk = 0.0029586 k( 67) = ( -0.0658171 0.1518935 1.2100964), wk = 0.0029586 k( 68) = ( -0.0721096 0.1664154 1.1942698), wk = 0.0029586 k( 69) = ( -0.0784021 0.1809373 1.1784431), wk = 0.0029586 k( 70) = ( -0.0846946 0.1954592 1.1626165), wk = 0.0029586 k( 71) = ( -0.0909872 0.2099811 1.1467899), wk = 0.0029586 k( 72) = ( -0.0972797 0.2245031 1.1309633), wk = 0.0029586 k( 73) = ( -0.1035722 0.2390250 1.1151367), wk = 0.0029586 k( 74) = ( -0.1098647 0.2535469 1.0993101), wk = 0.0029586 k( 75) = ( -0.1161572 0.2680688 1.0834835), wk = 0.0029586 k( 76) = ( -0.1224497 0.2825907 1.0676569), wk = 0.0029586 k( 77) = ( -0.1287422 0.2971126 1.0518303), wk = 0.0029586 k( 78) = ( -0.1350347 0.3116345 1.0360037), wk = 0.0029586 k( 79) = ( -0.1413272 0.3261565 1.0201771), wk = 0.0029586 k( 80) = ( -0.1476197 0.3406784 1.0043504), wk = 0.0029586 k( 81) = ( -0.1539122 0.3552003 0.9885238), wk = 0.0029586 k( 82) = ( -0.1602047 0.3697222 0.9726972), wk = 0.0029586 k( 83) = ( -0.1664972 0.3842441 0.9568706), wk = 0.0029586 k( 84) = ( -0.1727897 0.3987660 0.9410440), wk = 0.0029586 k( 85) = ( -0.1790822 0.4132879 0.9252174), wk = 0.0029586 k( 86) = ( -0.1853747 0.4278098 0.9093908), wk = 0.0029586 k( 87) = ( -0.1916672 0.4423318 0.8935642), wk = 0.0029586 k( 88) = ( -0.1979597 0.4568537 0.8777376), wk = 0.0029586 k( 89) = ( -0.2042522 0.4713756 0.8619110), wk = 0.0029586 k( 90) = ( -0.2105448 0.4858975 0.8460843), wk = 0.0029586 k( 91) = ( -0.2168373 0.5004194 0.8302577), wk = 0.0029586 k( 92) = ( -0.2231298 0.5149413 0.8144311), wk = 0.0029586 k( 93) = ( -0.2294223 0.5294632 0.7986045), wk = 0.0029586 k( 94) = ( -0.2357148 0.5439852 0.7827779), wk = 0.0029586 k( 95) = ( -0.2420073 0.5585071 0.7669513), wk = 0.0029586 k( 96) = ( -0.2482998 0.5730290 0.7511247), wk = 0.0029586 k( 97) = ( -0.2545923 0.5875509 0.7352981), wk = 0.0029586 k( 98) = ( -0.2608848 0.6020728 0.7194715), wk = 0.0029586 k( 99) = ( -0.2671773 0.6165947 0.7036448), wk = 0.0029586 k( 100) = ( -0.2734698 0.6311166 0.6878183), wk = 0.0029586 k( 101) = ( -0.2734698 0.6311166 0.6878183), wk = 0.0029586 k( 102) = ( -0.2671100 0.6164395 0.6718225), wk = 0.0029586 k( 103) = ( -0.2607503 0.6017624 0.6558267), wk = 0.0029586 k( 104) = ( -0.2543905 0.5870852 0.6398309), wk = 0.0029586 k( 105) = ( -0.2480308 0.5724081 0.6238352), wk = 0.0029586 k( 106) = ( -0.2416710 0.5577310 0.6078394), wk = 0.0029586 k( 107) = ( -0.2353112 0.5430538 0.5918436), wk = 0.0029586 k( 108) = ( -0.2289515 0.5283767 0.5758478), wk = 0.0029586 k( 109) = ( -0.2225917 0.5136996 0.5598521), wk = 0.0029586 k( 110) = ( -0.2162319 0.4990225 0.5438563), wk = 0.0029586 k( 111) = ( -0.2098722 0.4843453 0.5278605), wk = 0.0029586 k( 112) = ( -0.2035124 0.4696682 0.5118648), wk = 0.0029586 k( 113) = ( -0.1971527 0.4549911 0.4958690), wk = 0.0029586 k( 114) = ( -0.1907929 0.4403139 0.4798732), wk = 0.0029586 k( 115) = ( -0.1844331 0.4256368 0.4638774), wk = 0.0029586 k( 116) = ( -0.1780734 0.4109597 0.4478816), wk = 0.0029586 k( 117) = ( -0.1717136 0.3962825 0.4318859), wk = 0.0029586 k( 118) = ( -0.1653538 0.3816054 0.4158901), wk = 0.0029586 k( 119) = ( -0.1589941 0.3669283 0.3998943), wk = 0.0029586 k( 120) = ( -0.1526343 0.3522511 0.3838986), wk = 0.0029586 k( 121) = ( -0.1462746 0.3375740 0.3679028), wk = 0.0029586 k( 122) = ( -0.1399148 0.3228969 0.3519070), wk = 0.0029586 k( 123) = ( -0.1335550 0.3082197 0.3359112), wk = 0.0029586 k( 124) = ( -0.1271953 0.2935426 0.3199155), wk = 0.0029586 k( 125) = ( -0.1208355 0.2788655 0.3039197), wk = 0.0029586 k( 126) = ( -0.1144757 0.2641883 0.2879239), wk = 0.0029586 k( 127) = ( -0.1081160 0.2495112 0.2719281), wk = 0.0029586 k( 128) = ( -0.1017562 0.2348341 0.2559324), wk = 0.0029586 k( 129) = ( -0.0953964 0.2201570 0.2399366), wk = 0.0029586 k( 130) = ( -0.0890367 0.2054798 0.2239408), wk = 0.0029586 k( 131) = ( -0.0826769 0.1908027 0.2079451), wk = 0.0029586 k( 132) = ( -0.0763172 0.1761256 0.1919493), wk = 0.0029586 k( 133) = ( -0.0699574 0.1614484 0.1759535), wk = 0.0029586 k( 134) = ( -0.0635976 0.1467713 0.1599577), wk = 0.0029586 k( 135) = ( -0.0572379 0.1320942 0.1439620), wk = 0.0029586 k( 136) = ( -0.0508781 0.1174170 0.1279662), wk = 0.0029586 k( 137) = ( -0.0445183 0.1027399 0.1119704), wk = 0.0029586 k( 138) = ( -0.0381586 0.0880628 0.0959746), wk = 0.0029586 k( 139) = ( -0.0317988 0.0733856 0.0799789), wk = 0.0029586 k( 140) = ( -0.0254391 0.0587085 0.0639831), wk = 0.0029586 k( 141) = ( -0.0190793 0.0440314 0.0479873), wk = 0.0029586 k( 142) = ( -0.0127195 0.0293543 0.0319916), wk = 0.0029586 k( 143) = ( -0.0063598 0.0146771 0.0159958), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 146) = ( 0.0208333 0.0090273 0.0000000), wk = 0.0029586 k( 147) = ( 0.0416667 0.0180546 0.0000000), wk = 0.0029586 k( 148) = ( 0.0625000 0.0270819 0.0000000), wk = 0.0029586 k( 149) = ( 0.0833333 0.0361093 0.0000000), wk = 0.0029586 k( 150) = ( 0.1041667 0.0451366 0.0000000), wk = 0.0029586 k( 151) = ( 0.1250000 0.0541639 0.0000000), wk = 0.0029586 k( 152) = ( 0.1458333 0.0631912 0.0000000), wk = 0.0029586 k( 153) = ( 0.1666667 0.0722185 0.0000000), wk = 0.0029586 k( 154) = ( 0.1875000 0.0812458 0.0000000), wk = 0.0029586 k( 155) = ( 0.2083333 0.0902731 0.0000000), wk = 0.0029586 k( 156) = ( 0.2291667 0.0993004 0.0000000), wk = 0.0029586 k( 157) = ( 0.2500000 0.1083278 0.0000000), wk = 0.0029586 k( 158) = ( 0.2708333 0.1173551 0.0000000), wk = 0.0029586 k( 159) = ( 0.2916667 0.1263824 0.0000000), wk = 0.0029586 k( 160) = ( 0.3125000 0.1354097 0.0000000), wk = 0.0029586 k( 161) = ( 0.3333333 0.1444370 0.0000000), wk = 0.0029586 k( 162) = ( 0.3541667 0.1534643 0.0000000), wk = 0.0029586 k( 163) = ( 0.3750000 0.1624916 0.0000000), wk = 0.0029586 k( 164) = ( 0.3958333 0.1715190 0.0000000), wk = 0.0029586 k( 165) = ( 0.4166667 0.1805463 0.0000000), wk = 0.0029586 k( 166) = ( 0.4375000 0.1895736 0.0000000), wk = 0.0029586 k( 167) = ( 0.4583333 0.1986009 0.0000000), wk = 0.0029586 k( 168) = ( 0.4791667 0.2076282 0.0000000), wk = 0.0029586 k( 169) = ( 0.5000000 0.2166555 0.0000000), wk = 0.0029586 k( 170) = ( 0.5000000 0.2166555 0.0000000), wk = 0.0029586 k( 171) = ( 0.4937075 0.2311774 0.0158266), wk = 0.0029586 k( 172) = ( 0.4874150 0.2456993 0.0316532), wk = 0.0029586 k( 173) = ( 0.4811225 0.2602213 0.0474798), wk = 0.0029586 k( 174) = ( 0.4748300 0.2747432 0.0633064), wk = 0.0029586 k( 175) = ( 0.4685375 0.2892651 0.0791331), wk = 0.0029586 k( 176) = ( 0.4622450 0.3037870 0.0949597), wk = 0.0029586 k( 177) = ( 0.4559525 0.3183089 0.1107863), wk = 0.0029586 k( 178) = ( 0.4496600 0.3328308 0.1266129), wk = 0.0029586 k( 179) = ( 0.4433674 0.3473527 0.1424395), wk = 0.0029586 k( 180) = ( 0.4370750 0.3618746 0.1582661), wk = 0.0029586 k( 181) = ( 0.4307824 0.3763966 0.1740927), wk = 0.0029586 k( 182) = ( 0.4244899 0.3909185 0.1899193), wk = 0.0029586 k( 183) = ( 0.4181974 0.4054404 0.2057459), wk = 0.0029586 k( 184) = ( 0.4119049 0.4199623 0.2215725), wk = 0.0029586 k( 185) = ( 0.4056124 0.4344842 0.2373991), wk = 0.0029586 k( 186) = ( 0.3993199 0.4490061 0.2532258), wk = 0.0029586 k( 187) = ( 0.3930274 0.4635280 0.2690524), wk = 0.0029586 k( 188) = ( 0.3867349 0.4780500 0.2848790), wk = 0.0029586 k( 189) = ( 0.3804424 0.4925719 0.3007056), wk = 0.0029586 k( 190) = ( 0.3741499 0.5070938 0.3165322), wk = 0.0029586 k( 191) = ( 0.3678574 0.5216157 0.3323588), wk = 0.0029586 k( 192) = ( 0.3615649 0.5361376 0.3481854), wk = 0.0029586 k( 193) = ( 0.3552724 0.5506595 0.3640120), wk = 0.0029586 k( 194) = ( 0.3489799 0.5651814 0.3798386), wk = 0.0029586 k( 195) = ( 0.3426874 0.5797033 0.3956652), wk = 0.0029586 k( 196) = ( 0.3363949 0.5942253 0.4114919), wk = 0.0029586 k( 197) = ( 0.3301024 0.6087472 0.4273185), wk = 0.0029586 k( 198) = ( 0.3238099 0.6232691 0.4431451), wk = 0.0029586 k( 199) = ( 0.3175173 0.6377910 0.4589717), wk = 0.0029586 k( 200) = ( 0.3112248 0.6523129 0.4747983), wk = 0.0029586 k( 201) = ( 0.3049323 0.6668348 0.4906249), wk = 0.0029586 k( 202) = ( 0.2986398 0.6813567 0.5064515), wk = 0.0029586 k( 203) = ( 0.2923473 0.6958787 0.5222781), wk = 0.0029586 k( 204) = ( 0.2860548 0.7104006 0.5381047), wk = 0.0029586 k( 205) = ( 0.2797623 0.7249225 0.5539314), wk = 0.0029586 k( 206) = ( 0.2734698 0.7394444 0.5697580), wk = 0.0029586 k( 207) = ( 0.2734698 0.7394444 0.5697580), wk = 0.0029586 k( 208) = ( 0.2524337 0.7352779 0.5742987), wk = 0.0029586 k( 209) = ( 0.2313975 0.7311115 0.5788395), wk = 0.0029586 k( 210) = ( 0.2103614 0.7269450 0.5833803), wk = 0.0029586 k( 211) = ( 0.1893253 0.7227786 0.5879211), wk = 0.0029586 k( 212) = ( 0.1682891 0.7186121 0.5924619), wk = 0.0029586 k( 213) = ( 0.1472530 0.7144457 0.5970026), wk = 0.0029586 k( 214) = ( 0.1262168 0.7102792 0.6015434), wk = 0.0029586 k( 215) = ( 0.1051807 0.7061128 0.6060842), wk = 0.0029586 k( 216) = ( 0.0841446 0.7019463 0.6106250), wk = 0.0029586 k( 217) = ( 0.0631084 0.6977799 0.6151658), wk = 0.0029586 k( 218) = ( 0.0420723 0.6936134 0.6197065), wk = 0.0029586 k( 219) = ( 0.0210361 0.6894470 0.6242473), wk = 0.0029586 k( 220) = ( 0.0000000 0.6852805 0.6287881), wk = 0.0029586 k( 221) = ( 0.0000000 0.6852805 0.6287881), wk = 0.0029586 k( 222) = ( 0.0064103 0.6704868 0.6449109), wk = 0.0029586 k( 223) = ( 0.0128205 0.6556932 0.6610336), wk = 0.0029586 k( 224) = ( 0.0192308 0.6408995 0.6771564), wk = 0.0029586 k( 225) = ( 0.0256410 0.6261059 0.6932792), wk = 0.0029586 k( 226) = ( 0.0320513 0.6113122 0.7094020), wk = 0.0029586 k( 227) = ( 0.0384615 0.5965185 0.7255247), wk = 0.0029586 k( 228) = ( 0.0448718 0.5817249 0.7416475), wk = 0.0029586 k( 229) = ( 0.0512821 0.5669312 0.7577703), wk = 0.0029586 k( 230) = ( 0.0576923 0.5521376 0.7738931), wk = 0.0029586 k( 231) = ( 0.0641026 0.5373439 0.7900158), wk = 0.0029586 k( 232) = ( 0.0705128 0.5225503 0.8061386), wk = 0.0029586 k( 233) = ( 0.0769231 0.5077566 0.8222614), wk = 0.0029586 k( 234) = ( 0.0833333 0.4929629 0.8383841), wk = 0.0029586 k( 235) = ( 0.0897436 0.4781693 0.8545069), wk = 0.0029586 k( 236) = ( 0.0961538 0.4633756 0.8706297), wk = 0.0029586 k( 237) = ( 0.1025641 0.4485820 0.8867524), wk = 0.0029586 k( 238) = ( 0.1089744 0.4337883 0.9028752), wk = 0.0029586 k( 239) = ( 0.1153846 0.4189946 0.9189980), wk = 0.0029586 k( 240) = ( 0.1217949 0.4042010 0.9351208), wk = 0.0029586 k( 241) = ( 0.1282051 0.3894073 0.9512435), wk = 0.0029586 k( 242) = ( 0.1346154 0.3746137 0.9673663), wk = 0.0029586 k( 243) = ( 0.1410256 0.3598200 0.9834891), wk = 0.0029586 k( 244) = ( 0.1474359 0.3450263 0.9996119), wk = 0.0029586 k( 245) = ( 0.1538461 0.3302327 1.0157346), wk = 0.0029586 k( 246) = ( 0.1602564 0.3154390 1.0318574), wk = 0.0029586 k( 247) = ( 0.1666667 0.3006453 1.0479802), wk = 0.0029586 k( 248) = ( 0.1730769 0.2858517 1.0641029), wk = 0.0029586 k( 249) = ( 0.1794872 0.2710580 1.0802257), wk = 0.0029586 k( 250) = ( 0.1858974 0.2562644 1.0963485), wk = 0.0029586 k( 251) = ( 0.1923077 0.2414707 1.1124713), wk = 0.0029586 k( 252) = ( 0.1987180 0.2266770 1.1285940), wk = 0.0029586 k( 253) = ( 0.2051282 0.2118834 1.1447168), wk = 0.0029586 k( 254) = ( 0.2115385 0.1970897 1.1608396), wk = 0.0029586 k( 255) = ( 0.2179487 0.1822961 1.1769624), wk = 0.0029586 k( 256) = ( 0.2243590 0.1675024 1.1930851), wk = 0.0029586 k( 257) = ( 0.2307692 0.1527087 1.2092079), wk = 0.0029586 k( 258) = ( 0.2371795 0.1379151 1.2253307), wk = 0.0029586 k( 259) = ( 0.2435897 0.1231214 1.2414534), wk = 0.0029586 k( 260) = ( 0.2500000 0.1083278 1.2575762), wk = 0.0029586 k( 261) = ( 0.2500000 0.1083278 1.2575762), wk = 0.0029586 k( 262) = ( 0.2692308 0.1166607 1.2484946), wk = 0.0029586 k( 263) = ( 0.2884615 0.1249936 1.2394131), wk = 0.0029586 k( 264) = ( 0.3076923 0.1333265 1.2303315), wk = 0.0029586 k( 265) = ( 0.3269231 0.1416594 1.2212500), wk = 0.0029586 k( 266) = ( 0.3461538 0.1499923 1.2121684), wk = 0.0029586 k( 267) = ( 0.3653846 0.1583252 1.2030869), wk = 0.0029586 k( 268) = ( 0.3846154 0.1666581 1.1940053), wk = 0.0029586 k( 269) = ( 0.4038462 0.1749910 1.1849237), wk = 0.0029586 k( 270) = ( 0.4230769 0.1833239 1.1758422), wk = 0.0029586 k( 271) = ( 0.4423077 0.1916568 1.1667606), wk = 0.0029586 k( 272) = ( 0.4615385 0.1999897 1.1576790), wk = 0.0029586 k( 273) = ( 0.4807692 0.2083226 1.1485975), wk = 0.0029586 k( 274) = ( 0.5000000 0.2166555 1.1395159), wk = 0.0029586 k( 275) = ( 0.5000000 0.2166555 1.1395159), wk = 0.0029586 k( 276) = ( 0.5000000 0.2166555 1.1167256), wk = 0.0029586 k( 277) = ( 0.5000000 0.2166555 1.0939353), wk = 0.0029586 k( 278) = ( 0.5000000 0.2166555 1.0711450), wk = 0.0029586 k( 279) = ( 0.5000000 0.2166555 1.0483546), wk = 0.0029586 k( 280) = ( 0.5000000 0.2166555 1.0255643), wk = 0.0029586 k( 281) = ( 0.5000000 0.2166555 1.0027740), wk = 0.0029586 k( 282) = ( 0.5000000 0.2166555 0.9799837), wk = 0.0029586 k( 283) = ( 0.5000000 0.2166555 0.9571934), wk = 0.0029586 k( 284) = ( 0.5000000 0.2166555 0.9344031), wk = 0.0029586 k( 285) = ( 0.5000000 0.2166555 0.9116127), wk = 0.0029586 k( 286) = ( 0.5000000 0.2166555 0.8888224), wk = 0.0029586 k( 287) = ( 0.5000000 0.2166555 0.8660321), wk = 0.0029586 k( 288) = ( 0.5000000 0.2166555 0.8432418), wk = 0.0029586 k( 289) = ( 0.5000000 0.2166555 0.8204515), wk = 0.0029586 k( 290) = ( 0.5000000 0.2166555 0.7976611), wk = 0.0029586 k( 291) = ( 0.5000000 0.2166555 0.7748708), wk = 0.0029586 k( 292) = ( 0.5000000 0.2166555 0.7520805), wk = 0.0029586 k( 293) = ( 0.5000000 0.2166555 0.7292902), wk = 0.0029586 k( 294) = ( 0.5000000 0.2166555 0.7064999), wk = 0.0029586 k( 295) = ( 0.5000000 0.2166555 0.6837095), wk = 0.0029586 k( 296) = ( 0.5000000 0.2166555 0.6609192), wk = 0.0029586 k( 297) = ( 0.5000000 0.2166555 0.6381289), wk = 0.0029586 k( 298) = ( 0.5000000 0.2166555 0.6153386), wk = 0.0029586 k( 299) = ( 0.5000000 0.2166555 0.5925483), wk = 0.0029586 k( 300) = ( 0.5000000 0.2166555 0.5697580), wk = 0.0029586 k( 301) = ( 0.5000000 0.2166555 0.5469676), wk = 0.0029586 k( 302) = ( 0.5000000 0.2166555 0.5241773), wk = 0.0029586 k( 303) = ( 0.5000000 0.2166555 0.5013870), wk = 0.0029586 k( 304) = ( 0.5000000 0.2166555 0.4785967), wk = 0.0029586 k( 305) = ( 0.5000000 0.2166555 0.4558064), wk = 0.0029586 k( 306) = ( 0.5000000 0.2166555 0.4330161), wk = 0.0029586 k( 307) = ( 0.5000000 0.2166555 0.4102257), wk = 0.0029586 k( 308) = ( 0.5000000 0.2166555 0.3874354), wk = 0.0029586 k( 309) = ( 0.5000000 0.2166555 0.3646451), wk = 0.0029586 k( 310) = ( 0.5000000 0.2166555 0.3418548), wk = 0.0029586 k( 311) = ( 0.5000000 0.2166555 0.3190645), wk = 0.0029586 k( 312) = ( 0.5000000 0.2166555 0.2962741), wk = 0.0029586 k( 313) = ( 0.5000000 0.2166555 0.2734838), wk = 0.0029586 k( 314) = ( 0.5000000 0.2166555 0.2506935), wk = 0.0029586 k( 315) = ( 0.5000000 0.2166555 0.2279032), wk = 0.0029586 k( 316) = ( 0.5000000 0.2166555 0.2051129), wk = 0.0029586 k( 317) = ( 0.5000000 0.2166555 0.1823225), wk = 0.0029586 k( 318) = ( 0.5000000 0.2166555 0.1595322), wk = 0.0029586 k( 319) = ( 0.5000000 0.2166555 0.1367419), wk = 0.0029586 k( 320) = ( 0.5000000 0.2166555 0.1139516), wk = 0.0029586 k( 321) = ( 0.5000000 0.2166555 0.0911613), wk = 0.0029586 k( 322) = ( 0.5000000 0.2166555 0.0683709), wk = 0.0029586 k( 323) = ( 0.5000000 0.2166555 0.0455806), wk = 0.0029586 k( 324) = ( 0.5000000 0.2166555 0.0227903), wk = 0.0029586 k( 325) = ( 0.5000000 0.2166555 0.0000000), wk = 0.0029586 k( 326) = ( 0.0000000 0.0000000 1.2575762), wk = 0.0029586 k( 327) = ( 0.0208333 0.0090273 1.2575762), wk = 0.0029586 k( 328) = ( 0.0416667 0.0180546 1.2575762), wk = 0.0029586 k( 329) = ( 0.0625000 0.0270819 1.2575762), wk = 0.0029586 k( 330) = ( 0.0833333 0.0361093 1.2575762), wk = 0.0029586 k( 331) = ( 0.1041667 0.0451366 1.2575762), wk = 0.0029586 k( 332) = ( 0.1250000 0.0541639 1.2575762), wk = 0.0029586 k( 333) = ( 0.1458333 0.0631912 1.2575762), wk = 0.0029586 k( 334) = ( 0.1666667 0.0722185 1.2575762), wk = 0.0029586 k( 335) = ( 0.1875000 0.0812458 1.2575762), wk = 0.0029586 k( 336) = ( 0.2083333 0.0902731 1.2575762), wk = 0.0029586 k( 337) = ( 0.2291667 0.0993004 1.2575762), wk = 0.0029586 k( 338) = ( 0.2500000 0.1083278 1.2575762), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0029586 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0029586 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0029586 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0029586 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029586 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0029586 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0029586 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0029586 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0029586 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029586 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0029586 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0029586 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0029586 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029586 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0029586 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0029586 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0029586 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0029586 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029586 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0029586 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0029586 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0029586 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029586 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0029586 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0029586 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0029586 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0029586 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029586 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0029586 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0029586 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0029586 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029586 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0029586 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0029586 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0029586 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0029586 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029586 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0029586 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0029586 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0029586 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029586 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0029586 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0029586 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0029586 k( 50) = ( 0.0000000 0.0000000 0.4454545), wk = 0.0029586 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029586 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0029586 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0029586 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0029586 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0029586 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 58) = ( -0.0078233 0.0078233 0.5000000), wk = 0.0029586 k( 59) = ( -0.0156465 0.0156465 0.5000000), wk = 0.0029586 k( 60) = ( -0.0234698 0.0234698 0.5000000), wk = 0.0029586 k( 61) = ( -0.0312931 0.0312931 0.5000000), wk = 0.0029586 k( 62) = ( -0.0391164 0.0391164 0.5000000), wk = 0.0029586 k( 63) = ( -0.0469396 0.0469396 0.5000000), wk = 0.0029586 k( 64) = ( -0.0469396 0.0469396 0.5000000), wk = 0.0029586 k( 65) = ( -0.0532321 0.0532321 0.4937075), wk = 0.0029586 k( 66) = ( -0.0595246 0.0595246 0.4874150), wk = 0.0029586 k( 67) = ( -0.0658171 0.0658171 0.4811225), wk = 0.0029586 k( 68) = ( -0.0721096 0.0721096 0.4748300), wk = 0.0029586 k( 69) = ( -0.0784021 0.0784021 0.4685375), wk = 0.0029586 k( 70) = ( -0.0846946 0.0846946 0.4622450), wk = 0.0029586 k( 71) = ( -0.0909872 0.0909871 0.4559525), wk = 0.0029586 k( 72) = ( -0.0972797 0.0972797 0.4496600), wk = 0.0029586 k( 73) = ( -0.1035722 0.1035722 0.4433674), wk = 0.0029586 k( 74) = ( -0.1098647 0.1098647 0.4370750), wk = 0.0029586 k( 75) = ( -0.1161572 0.1161572 0.4307824), wk = 0.0029586 k( 76) = ( -0.1224497 0.1224497 0.4244899), wk = 0.0029586 k( 77) = ( -0.1287422 0.1287422 0.4181974), wk = 0.0029586 k( 78) = ( -0.1350347 0.1350347 0.4119049), wk = 0.0029586 k( 79) = ( -0.1413272 0.1413272 0.4056124), wk = 0.0029586 k( 80) = ( -0.1476197 0.1476197 0.3993199), wk = 0.0029586 k( 81) = ( -0.1539122 0.1539122 0.3930274), wk = 0.0029586 k( 82) = ( -0.1602047 0.1602047 0.3867349), wk = 0.0029586 k( 83) = ( -0.1664972 0.1664972 0.3804424), wk = 0.0029586 k( 84) = ( -0.1727897 0.1727897 0.3741499), wk = 0.0029586 k( 85) = ( -0.1790822 0.1790822 0.3678574), wk = 0.0029586 k( 86) = ( -0.1853747 0.1853747 0.3615649), wk = 0.0029586 k( 87) = ( -0.1916672 0.1916672 0.3552724), wk = 0.0029586 k( 88) = ( -0.1979597 0.1979597 0.3489799), wk = 0.0029586 k( 89) = ( -0.2042522 0.2042522 0.3426874), wk = 0.0029586 k( 90) = ( -0.2105448 0.2105447 0.3363949), wk = 0.0029586 k( 91) = ( -0.2168373 0.2168373 0.3301024), wk = 0.0029586 k( 92) = ( -0.2231298 0.2231298 0.3238099), wk = 0.0029586 k( 93) = ( -0.2294223 0.2294223 0.3175174), wk = 0.0029586 k( 94) = ( -0.2357148 0.2357148 0.3112248), wk = 0.0029586 k( 95) = ( -0.2420073 0.2420073 0.3049323), wk = 0.0029586 k( 96) = ( -0.2482998 0.2482998 0.2986398), wk = 0.0029586 k( 97) = ( -0.2545923 0.2545923 0.2923473), wk = 0.0029586 k( 98) = ( -0.2608848 0.2608848 0.2860548), wk = 0.0029586 k( 99) = ( -0.2671773 0.2671773 0.2797623), wk = 0.0029586 k( 100) = ( -0.2734698 0.2734698 0.2734698), wk = 0.0029586 k( 101) = ( -0.2734698 0.2734698 0.2734698), wk = 0.0029586 k( 102) = ( -0.2671100 0.2671100 0.2671100), wk = 0.0029586 k( 103) = ( -0.2607503 0.2607503 0.2607503), wk = 0.0029586 k( 104) = ( -0.2543905 0.2543905 0.2543905), wk = 0.0029586 k( 105) = ( -0.2480308 0.2480308 0.2480308), wk = 0.0029586 k( 106) = ( -0.2416710 0.2416710 0.2416710), wk = 0.0029586 k( 107) = ( -0.2353112 0.2353112 0.2353112), wk = 0.0029586 k( 108) = ( -0.2289515 0.2289515 0.2289515), wk = 0.0029586 k( 109) = ( -0.2225917 0.2225917 0.2225917), wk = 0.0029586 k( 110) = ( -0.2162319 0.2162319 0.2162319), wk = 0.0029586 k( 111) = ( -0.2098722 0.2098722 0.2098722), wk = 0.0029586 k( 112) = ( -0.2035124 0.2035124 0.2035124), wk = 0.0029586 k( 113) = ( -0.1971527 0.1971526 0.1971527), wk = 0.0029586 k( 114) = ( -0.1907929 0.1907929 0.1907929), wk = 0.0029586 k( 115) = ( -0.1844331 0.1844331 0.1844331), wk = 0.0029586 k( 116) = ( -0.1780734 0.1780734 0.1780734), wk = 0.0029586 k( 117) = ( -0.1717136 0.1717136 0.1717136), wk = 0.0029586 k( 118) = ( -0.1653538 0.1653538 0.1653538), wk = 0.0029586 k( 119) = ( -0.1589941 0.1589941 0.1589941), wk = 0.0029586 k( 120) = ( -0.1526343 0.1526343 0.1526343), wk = 0.0029586 k( 121) = ( -0.1462746 0.1462745 0.1462746), wk = 0.0029586 k( 122) = ( -0.1399148 0.1399148 0.1399148), wk = 0.0029586 k( 123) = ( -0.1335550 0.1335550 0.1335550), wk = 0.0029586 k( 124) = ( -0.1271953 0.1271953 0.1271953), wk = 0.0029586 k( 125) = ( -0.1208355 0.1208355 0.1208355), wk = 0.0029586 k( 126) = ( -0.1144757 0.1144757 0.1144757), wk = 0.0029586 k( 127) = ( -0.1081160 0.1081160 0.1081160), wk = 0.0029586 k( 128) = ( -0.1017562 0.1017562 0.1017562), wk = 0.0029586 k( 129) = ( -0.0953964 0.0953964 0.0953964), wk = 0.0029586 k( 130) = ( -0.0890367 0.0890367 0.0890367), wk = 0.0029586 k( 131) = ( -0.0826769 0.0826769 0.0826769), wk = 0.0029586 k( 132) = ( -0.0763172 0.0763172 0.0763172), wk = 0.0029586 k( 133) = ( -0.0699574 0.0699574 0.0699574), wk = 0.0029586 k( 134) = ( -0.0635976 0.0635976 0.0635976), wk = 0.0029586 k( 135) = ( -0.0572379 0.0572379 0.0572379), wk = 0.0029586 k( 136) = ( -0.0508781 0.0508781 0.0508781), wk = 0.0029586 k( 137) = ( -0.0445183 0.0445183 0.0445183), wk = 0.0029586 k( 138) = ( -0.0381586 0.0381586 0.0381586), wk = 0.0029586 k( 139) = ( -0.0317988 0.0317988 0.0317988), wk = 0.0029586 k( 140) = ( -0.0254391 0.0254390 0.0254391), wk = 0.0029586 k( 141) = ( -0.0190793 0.0190793 0.0190793), wk = 0.0029586 k( 142) = ( -0.0127195 0.0127195 0.0127195), wk = 0.0029586 k( 143) = ( -0.0063598 0.0063598 0.0063598), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 146) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0029586 k( 147) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0029586 k( 148) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0029586 k( 149) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0029586 k( 150) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0029586 k( 151) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0029586 k( 152) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0029586 k( 153) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029586 k( 154) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0029586 k( 155) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0029586 k( 156) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0029586 k( 157) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029586 k( 158) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0029586 k( 159) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0029586 k( 160) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0029586 k( 161) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029586 k( 162) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0029586 k( 163) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0029586 k( 164) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0029586 k( 165) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0029586 k( 166) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0029586 k( 167) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0029586 k( 168) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0029586 k( 169) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 171) = ( 0.4937075 0.5062925 -0.4937075), wk = 0.0029586 k( 172) = ( 0.4874150 0.5125850 -0.4874150), wk = 0.0029586 k( 173) = ( 0.4811225 0.5188775 -0.4811225), wk = 0.0029586 k( 174) = ( 0.4748300 0.5251700 -0.4748300), wk = 0.0029586 k( 175) = ( 0.4685375 0.5314625 -0.4685375), wk = 0.0029586 k( 176) = ( 0.4622450 0.5377550 -0.4622450), wk = 0.0029586 k( 177) = ( 0.4559525 0.5440475 -0.4559525), wk = 0.0029586 k( 178) = ( 0.4496600 0.5503400 -0.4496600), wk = 0.0029586 k( 179) = ( 0.4433674 0.5566326 -0.4433674), wk = 0.0029586 k( 180) = ( 0.4370750 0.5629251 -0.4370750), wk = 0.0029586 k( 181) = ( 0.4307824 0.5692176 -0.4307824), wk = 0.0029586 k( 182) = ( 0.4244899 0.5755101 -0.4244899), wk = 0.0029586 k( 183) = ( 0.4181974 0.5818026 -0.4181974), wk = 0.0029586 k( 184) = ( 0.4119049 0.5880951 -0.4119049), wk = 0.0029586 k( 185) = ( 0.4056124 0.5943876 -0.4056124), wk = 0.0029586 k( 186) = ( 0.3993199 0.6006801 -0.3993199), wk = 0.0029586 k( 187) = ( 0.3930274 0.6069726 -0.3930274), wk = 0.0029586 k( 188) = ( 0.3867349 0.6132651 -0.3867349), wk = 0.0029586 k( 189) = ( 0.3804424 0.6195576 -0.3804424), wk = 0.0029586 k( 190) = ( 0.3741499 0.6258501 -0.3741499), wk = 0.0029586 k( 191) = ( 0.3678574 0.6321426 -0.3678574), wk = 0.0029586 k( 192) = ( 0.3615649 0.6384351 -0.3615649), wk = 0.0029586 k( 193) = ( 0.3552724 0.6447276 -0.3552724), wk = 0.0029586 k( 194) = ( 0.3489799 0.6510201 -0.3489799), wk = 0.0029586 k( 195) = ( 0.3426874 0.6573126 -0.3426874), wk = 0.0029586 k( 196) = ( 0.3363949 0.6636051 -0.3363949), wk = 0.0029586 k( 197) = ( 0.3301024 0.6698976 -0.3301024), wk = 0.0029586 k( 198) = ( 0.3238099 0.6761901 -0.3238099), wk = 0.0029586 k( 199) = ( 0.3175173 0.6824826 -0.3175173), wk = 0.0029586 k( 200) = ( 0.3112248 0.6887752 -0.3112248), wk = 0.0029586 k( 201) = ( 0.3049323 0.6950677 -0.3049323), wk = 0.0029586 k( 202) = ( 0.2986398 0.7013602 -0.2986398), wk = 0.0029586 k( 203) = ( 0.2923473 0.7076527 -0.2923473), wk = 0.0029586 k( 204) = ( 0.2860548 0.7139452 -0.2860548), wk = 0.0029586 k( 205) = ( 0.2797623 0.7202377 -0.2797623), wk = 0.0029586 k( 206) = ( 0.2734698 0.7265302 -0.2734698), wk = 0.0029586 k( 207) = ( 0.2734698 0.7265302 -0.2734698), wk = 0.0029586 k( 208) = ( 0.2524337 0.7091048 -0.2524337), wk = 0.0029586 k( 209) = ( 0.2313975 0.6916794 -0.2313975), wk = 0.0029586 k( 210) = ( 0.2103614 0.6742540 -0.2103614), wk = 0.0029586 k( 211) = ( 0.1893253 0.6568286 -0.1893253), wk = 0.0029586 k( 212) = ( 0.1682891 0.6394032 -0.1682891), wk = 0.0029586 k( 213) = ( 0.1472530 0.6219778 -0.1472530), wk = 0.0029586 k( 214) = ( 0.1262168 0.6045524 -0.1262168), wk = 0.0029586 k( 215) = ( 0.1051807 0.5871270 -0.1051807), wk = 0.0029586 k( 216) = ( 0.0841446 0.5697016 -0.0841446), wk = 0.0029586 k( 217) = ( 0.0631084 0.5522762 -0.0631084), wk = 0.0029586 k( 218) = ( 0.0420723 0.5348508 -0.0420723), wk = 0.0029586 k( 219) = ( 0.0210361 0.5174254 -0.0210361), wk = 0.0029586 k( 220) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 221) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 222) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0029586 k( 223) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0029586 k( 224) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0029586 k( 225) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0029586 k( 226) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0029586 k( 227) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0029586 k( 228) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0029586 k( 229) = ( 0.0512821 0.4487179 0.0512821), wk = 0.0029586 k( 230) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0029586 k( 231) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0029586 k( 232) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0029586 k( 233) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0029586 k( 234) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029586 k( 235) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0029586 k( 236) = ( 0.0961538 0.4038461 0.0961539), wk = 0.0029586 k( 237) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0029586 k( 238) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0029586 k( 239) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0029586 k( 240) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0029586 k( 241) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0029586 k( 242) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0029586 k( 243) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0029586 k( 244) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0029586 k( 245) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0029586 k( 246) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0029586 k( 247) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029586 k( 248) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0029586 k( 249) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0029586 k( 250) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0029586 k( 251) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0029586 k( 252) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0029586 k( 253) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0029586 k( 254) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0029586 k( 255) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0029586 k( 256) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0029586 k( 257) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0029586 k( 258) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0029586 k( 259) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0029586 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 261) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 262) = ( 0.2692308 0.2692308 0.2271585), wk = 0.0029586 k( 263) = ( 0.2884615 0.2884615 0.2043170), wk = 0.0029586 k( 264) = ( 0.3076923 0.3076923 0.1814755), wk = 0.0029586 k( 265) = ( 0.3269231 0.3269231 0.1586340), wk = 0.0029586 k( 266) = ( 0.3461538 0.3461538 0.1357925), wk = 0.0029586 k( 267) = ( 0.3653846 0.3653846 0.1129510), wk = 0.0029586 k( 268) = ( 0.3846154 0.3846154 0.0901094), wk = 0.0029586 k( 269) = ( 0.4038462 0.4038462 0.0672679), wk = 0.0029586 k( 270) = ( 0.4230769 0.4230769 0.0444264), wk = 0.0029586 k( 271) = ( 0.4423077 0.4423077 0.0215849), wk = 0.0029586 k( 272) = ( 0.4615385 0.4615385 -0.0012566), wk = 0.0029586 k( 273) = ( 0.4807692 0.4807692 -0.0240981), wk = 0.0029586 k( 274) = ( 0.5000000 0.5000000 -0.0469396), wk = 0.0029586 k( 275) = ( 0.5000000 0.5000000 -0.0469396), wk = 0.0029586 k( 276) = ( 0.5000000 0.5000000 -0.0560008), wk = 0.0029586 k( 277) = ( 0.5000000 0.5000000 -0.0650620), wk = 0.0029586 k( 278) = ( 0.5000000 0.5000000 -0.0741232), wk = 0.0029586 k( 279) = ( 0.5000000 0.5000000 -0.0831845), wk = 0.0029586 k( 280) = ( 0.5000000 0.5000000 -0.0922457), wk = 0.0029586 k( 281) = ( 0.5000000 0.5000000 -0.1013069), wk = 0.0029586 k( 282) = ( 0.5000000 0.5000000 -0.1103681), wk = 0.0029586 k( 283) = ( 0.5000000 0.5000000 -0.1194293), wk = 0.0029586 k( 284) = ( 0.5000000 0.5000000 -0.1284905), wk = 0.0029586 k( 285) = ( 0.5000000 0.5000000 -0.1375517), wk = 0.0029586 k( 286) = ( 0.5000000 0.5000000 -0.1466129), wk = 0.0029586 k( 287) = ( 0.5000000 0.5000000 -0.1556741), wk = 0.0029586 k( 288) = ( 0.5000000 0.5000000 -0.1647353), wk = 0.0029586 k( 289) = ( 0.5000000 0.5000000 -0.1737965), wk = 0.0029586 k( 290) = ( 0.5000000 0.5000000 -0.1828577), wk = 0.0029586 k( 291) = ( 0.5000000 0.5000000 -0.1919189), wk = 0.0029586 k( 292) = ( 0.5000000 0.5000000 -0.2009802), wk = 0.0029586 k( 293) = ( 0.5000000 0.5000000 -0.2100414), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 -0.2191026), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 -0.2281638), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 -0.2372250), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 -0.2462862), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 -0.2553474), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 -0.2644086), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 -0.2734698), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 -0.2825310), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 -0.2915922), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 -0.3006534), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 -0.3097146), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 -0.3187759), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 -0.3278371), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 -0.3368983), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 -0.3459595), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 -0.3550207), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 -0.3640819), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 -0.3731431), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 -0.3822043), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 -0.3912655), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 -0.4003267), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 -0.4093879), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 -0.4184491), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 -0.4275103), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 -0.4365715), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 -0.4456328), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 -0.4546940), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 -0.4637552), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 -0.4728164), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 -0.4818776), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 -0.4909388), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 327) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0029586 k( 328) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0029586 k( 329) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029586 k( 330) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029586 k( 331) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0029586 k( 332) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029586 k( 333) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0029586 k( 334) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029586 k( 335) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029586 k( 336) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0029586 k( 337) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0029586 k( 338) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 Dense grid: 44781 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 30617 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 222, 52) NL pseudopotentials 0.22 Mb ( 111, 131) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1245) G-vector shells 0.00 Mb ( 587) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 222, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.21 Mb ( 131, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./BaxCuSex2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.6 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.5 secs Computing kpt #: 14 total cpu time spent up to now is 12.1 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 13.3 secs Computing kpt #: 17 total cpu time spent up to now is 13.9 secs Computing kpt #: 18 total cpu time spent up to now is 14.5 secs Computing kpt #: 19 total cpu time spent up to now is 15.2 secs Computing kpt #: 20 total cpu time spent up to now is 15.8 secs Computing kpt #: 21 total cpu time spent up to now is 16.4 secs Computing kpt #: 22 total cpu time spent up to now is 17.1 secs Computing kpt #: 23 total cpu time spent up to now is 17.7 secs Computing kpt #: 24 total cpu time spent up to now is 18.4 secs Computing kpt #: 25 total cpu time spent up to now is 19.0 secs Computing kpt #: 26 total cpu time spent up to now is 19.6 secs Computing kpt #: 27 total cpu time spent up to now is 20.2 secs Computing kpt #: 28 total cpu time spent up to now is 20.8 secs Computing kpt #: 29 total cpu time spent up to now is 21.4 secs Computing kpt #: 30 total cpu time spent up to now is 22.0 secs Computing kpt #: 31 total cpu time spent up to now is 22.7 secs Computing kpt #: 32 total cpu time spent up to now is 23.3 secs Computing kpt #: 33 total cpu time spent up to now is 23.9 secs Computing kpt #: 34 total cpu time spent up to now is 24.6 secs Computing kpt #: 35 total cpu time spent up to now is 25.2 secs Computing kpt #: 36 total cpu time spent up to now is 25.8 secs Computing kpt #: 37 total cpu time spent up to now is 26.4 secs Computing kpt #: 38 total cpu time spent up to now is 27.0 secs Computing kpt #: 39 total cpu time spent up to now is 27.6 secs Computing kpt #: 40 total cpu time spent up to now is 28.2 secs Computing kpt #: 41 total cpu time spent up to now is 28.7 secs Computing kpt #: 42 total cpu time spent up to now is 29.3 secs Computing kpt #: 43 total cpu time spent up to now is 29.9 secs Computing kpt #: 44 total cpu time spent up to now is 30.5 secs Computing kpt #: 45 total cpu time spent up to now is 31.1 secs Computing kpt #: 46 total cpu time spent up to now is 31.6 secs Computing kpt #: 47 total cpu time spent up to now is 32.2 secs Computing kpt #: 48 total cpu time spent up to now is 32.8 secs Computing kpt #: 49 total cpu time spent up to now is 33.4 secs Computing kpt #: 50 total cpu time spent up to now is 33.9 secs Computing kpt #: 51 total cpu time spent up to now is 34.5 secs Computing kpt #: 52 total cpu time spent up to now is 35.1 secs Computing kpt #: 53 total cpu time spent up to now is 35.7 secs Computing kpt #: 54 total cpu time spent up to now is 36.3 secs Computing kpt #: 55 total cpu time spent up to now is 36.9 secs Computing kpt #: 56 total cpu time spent up to now is 37.4 secs Computing kpt #: 57 total cpu time spent up to now is 38.0 secs Computing kpt #: 58 total cpu time spent up to now is 38.6 secs Computing kpt #: 59 total cpu time spent up to now is 39.2 secs Computing kpt #: 60 total cpu time spent up to now is 39.8 secs Computing kpt #: 61 total cpu time spent up to now is 40.4 secs Computing kpt #: 62 total cpu time spent up to now is 41.0 secs Computing kpt #: 63 total cpu time spent up to now is 41.6 secs Computing kpt #: 64 total cpu time spent up to now is 42.3 secs Computing kpt #: 65 total cpu time spent up to now is 42.9 secs Computing kpt #: 66 total cpu time spent up to now is 43.6 secs Computing kpt #: 67 total cpu time spent up to now is 44.3 secs Computing kpt #: 68 total cpu time spent up to now is 44.9 secs Computing kpt #: 69 total cpu time spent up to now is 45.5 secs Computing kpt #: 70 total cpu time spent up to now is 46.2 secs Computing kpt #: 71 total cpu time spent up to now is 46.8 secs Computing kpt #: 72 total cpu time spent up to now is 47.4 secs Computing kpt #: 73 total cpu time spent up to now is 48.0 secs Computing kpt #: 74 total cpu time spent up to now is 48.7 secs Computing kpt #: 75 total cpu time spent up to now is 49.3 secs Computing kpt #: 76 total cpu time spent up to now is 49.9 secs Computing kpt #: 77 total cpu time spent up to now is 50.6 secs Computing kpt #: 78 total cpu time spent up to now is 51.2 secs Computing kpt #: 79 total cpu time spent up to now is 51.9 secs Computing kpt #: 80 total cpu time spent up to now is 52.6 secs Computing kpt #: 81 total cpu time spent up to now is 53.3 secs Computing kpt #: 82 total cpu time spent up to now is 53.9 secs Computing kpt #: 83 total cpu time spent up to now is 54.6 secs Computing kpt #: 84 total cpu time spent up to now is 55.4 secs Computing kpt #: 85 total cpu time spent up to now is 56.2 secs Computing kpt #: 86 total cpu time spent up to now is 56.8 secs Computing kpt #: 87 total cpu time spent up to now is 57.4 secs Computing kpt #: 88 total cpu time spent up to now is 58.0 secs Computing kpt #: 89 total cpu time spent up to now is 58.6 secs Computing kpt #: 90 total cpu time spent up to now is 59.2 secs Computing kpt #: 91 total cpu time spent up to now is 59.9 secs Computing kpt #: 92 total cpu time spent up to now is 60.5 secs Computing kpt #: 93 total cpu time spent up to now is 61.1 secs Computing kpt #: 94 total cpu time spent up to now is 61.7 secs Computing kpt #: 95 total cpu time spent up to now is 62.4 secs Computing kpt #: 96 total cpu time spent up to now is 63.0 secs Computing kpt #: 97 total cpu time spent up to now is 63.7 secs Computing kpt #: 98 total cpu time spent up to now is 64.4 secs Computing kpt #: 99 total cpu time spent up to now is 65.0 secs Computing kpt #: 100 total cpu time spent up to now is 65.6 secs Computing kpt #: 101 total cpu time spent up to now is 66.3 secs Computing kpt #: 102 total cpu time spent up to now is 66.9 secs Computing kpt #: 103 total cpu time spent up to now is 67.6 secs Computing kpt #: 104 total cpu time spent up to now is 68.2 secs Computing kpt #: 105 total cpu time spent up to now is 68.9 secs Computing kpt #: 106 total cpu time spent up to now is 69.5 secs Computing kpt #: 107 total cpu time spent up to now is 70.2 secs Computing kpt #: 108 total cpu time spent up to now is 70.9 secs Computing kpt #: 109 total cpu time spent up to now is 71.5 secs Computing kpt #: 110 total cpu time spent up to now is 72.2 secs Computing kpt #: 111 total cpu time spent up to now is 72.8 secs Computing kpt #: 112 total cpu time spent up to now is 73.5 secs Computing kpt #: 113 total cpu time spent up to now is 74.2 secs Computing kpt #: 114 total cpu time spent up to now is 74.8 secs Computing kpt #: 115 total cpu time spent up to now is 75.5 secs Computing kpt #: 116 total cpu time spent up to now is 76.2 secs Computing kpt #: 117 total cpu time spent up to now is 76.8 secs Computing kpt #: 118 total cpu time spent up to now is 77.5 secs Computing kpt #: 119 total cpu time spent up to now is 78.1 secs Computing kpt #: 120 total cpu time spent up to now is 78.8 secs Computing kpt #: 121 total cpu time spent up to now is 79.4 secs Computing kpt #: 122 total cpu time spent up to now is 80.0 secs Computing kpt #: 123 total cpu time spent up to now is 80.6 secs Computing kpt #: 124 total cpu time spent up to now is 81.2 secs Computing kpt #: 125 total cpu time spent up to now is 81.8 secs Computing kpt #: 126 total cpu time spent up to now is 82.4 secs Computing kpt #: 127 total cpu time spent up to now is 83.1 secs Computing kpt #: 128 total cpu time spent up to now is 83.7 secs Computing kpt #: 129 total cpu time spent up to now is 84.3 secs Computing kpt #: 130 total cpu time spent up to now is 84.9 secs Computing kpt #: 131 total cpu time spent up to now is 85.5 secs Computing kpt #: 132 total cpu time spent up to now is 86.1 secs Computing kpt #: 133 total cpu time spent up to now is 86.7 secs Computing kpt #: 134 total cpu time spent up to now is 87.3 secs Computing kpt #: 135 total cpu time spent up to now is 87.9 secs Computing kpt #: 136 total cpu time spent up to now is 88.5 secs Computing kpt #: 137 total cpu time spent up to now is 89.2 secs Computing kpt #: 138 total cpu time spent up to now is 89.8 secs Computing kpt #: 139 total cpu time spent up to now is 90.5 secs Computing kpt #: 140 total cpu time spent up to now is 91.1 secs Computing kpt #: 141 total cpu time spent up to now is 91.8 secs Computing kpt #: 142 total cpu time spent up to now is 92.4 secs Computing kpt #: 143 total cpu time spent up to now is 93.1 secs Computing kpt #: 144 total cpu time spent up to now is 93.7 secs Computing kpt #: 145 total cpu time spent up to now is 94.3 secs Computing kpt #: 146 total cpu time spent up to now is 94.9 secs Computing kpt #: 147 total cpu time spent up to now is 95.5 secs Computing kpt #: 148 total cpu time spent up to now is 96.1 secs Computing kpt #: 149 total cpu time spent up to now is 96.7 secs Computing kpt #: 150 total cpu time spent up to now is 97.4 secs Computing kpt #: 151 total cpu time spent up to now is 98.0 secs Computing kpt #: 152 total cpu time spent up to now is 98.6 secs Computing kpt #: 153 total cpu time spent up to now is 99.2 secs Computing kpt #: 154 total cpu time spent up to now is 99.8 secs Computing kpt #: 155 total cpu time spent up to now is 100.4 secs Computing kpt #: 156 total cpu time spent up to now is 101.0 secs Computing kpt #: 157 total cpu time spent up to now is 101.6 secs Computing kpt #: 158 total cpu time spent up to now is 102.3 secs Computing kpt #: 159 total cpu time spent up to now is 102.9 secs Computing kpt #: 160 total cpu time spent up to now is 103.6 secs Computing kpt #: 161 total cpu time spent up to now is 104.2 secs Computing kpt #: 162 total cpu time spent up to now is 104.8 secs Computing kpt #: 163 total cpu time spent up to now is 105.5 secs Computing kpt #: 164 total cpu time spent up to now is 106.1 secs Computing kpt #: 165 total cpu time spent up to now is 106.9 secs Computing kpt #: 166 total cpu time spent up to now is 107.7 secs Computing kpt #: 167 total cpu time spent up to now is 108.4 secs Computing kpt #: 168 total cpu time spent up to now is 109.0 secs Computing kpt #: 169 total cpu time spent up to now is 109.7 secs Computing kpt #: 170 total cpu time spent up to now is 110.3 secs Computing kpt #: 171 total cpu time spent up to now is 110.9 secs Computing kpt #: 172 total cpu time spent up to now is 111.6 secs Computing kpt #: 173 total cpu time spent up to now is 112.2 secs Computing kpt #: 174 total cpu time spent up to now is 112.8 secs Computing kpt #: 175 total cpu time spent up to now is 113.4 secs Computing kpt #: 176 total cpu time spent up to now is 114.1 secs Computing kpt #: 177 total cpu time spent up to now is 114.7 secs Computing kpt #: 178 total cpu time spent up to now is 115.3 secs Computing kpt #: 179 total cpu time spent up to now is 115.9 secs Computing kpt #: 180 total cpu time spent up to now is 116.5 secs Computing kpt #: 181 total cpu time spent up to now is 117.1 secs Computing kpt #: 182 total cpu time spent up to now is 117.7 secs Computing kpt #: 183 total cpu time spent up to now is 118.3 secs Computing kpt #: 184 total cpu time spent up to now is 118.9 secs Computing kpt #: 185 total cpu time spent up to now is 119.5 secs Computing kpt #: 186 total cpu time spent up to now is 120.1 secs Computing kpt #: 187 total cpu time spent up to now is 120.7 secs Computing kpt #: 188 total cpu time spent up to now is 121.2 secs Computing kpt #: 189 total cpu time spent up to now is 121.8 secs Computing kpt #: 190 total cpu time spent up to now is 122.4 secs Computing kpt #: 191 total cpu time spent up to now is 123.1 secs Computing kpt #: 192 total cpu time spent up to now is 123.7 secs Computing kpt #: 193 total cpu time spent up to now is 124.3 secs Computing kpt #: 194 total cpu time spent up to now is 125.0 secs Computing kpt #: 195 total cpu time spent up to now is 125.6 secs Computing kpt #: 196 total cpu time spent up to now is 126.2 secs Computing kpt #: 197 total cpu time spent up to now is 126.9 secs Computing kpt #: 198 total cpu time spent up to now is 127.5 secs Computing kpt #: 199 total cpu time spent up to now is 128.1 secs Computing kpt #: 200 total cpu time spent up to now is 128.7 secs Computing kpt #: 201 total cpu time spent up to now is 129.3 secs Computing kpt #: 202 total cpu time spent up to now is 129.9 secs Computing kpt #: 203 total cpu time spent up to now is 130.5 secs Computing kpt #: 204 total cpu time spent up to now is 131.2 secs Computing kpt #: 205 total cpu time spent up to now is 131.8 secs Computing kpt #: 206 total cpu time spent up to now is 132.4 secs Computing kpt #: 207 total cpu time spent up to now is 133.1 secs Computing kpt #: 208 total cpu time spent up to now is 133.7 secs Computing kpt #: 209 total cpu time spent up to now is 134.4 secs Computing kpt #: 210 total cpu time spent up to now is 135.0 secs Computing kpt #: 211 total cpu time spent up to now is 135.7 secs Computing kpt #: 212 total cpu time spent up to now is 136.4 secs Computing kpt #: 213 total cpu time spent up to now is 137.0 secs Computing kpt #: 214 total cpu time spent up to now is 137.7 secs Computing kpt #: 215 total cpu time spent up to now is 138.3 secs Computing kpt #: 216 total cpu time spent up to now is 139.0 secs Computing kpt #: 217 total cpu time spent up to now is 139.6 secs Computing kpt #: 218 total cpu time spent up to now is 140.2 secs Computing kpt #: 219 total cpu time spent up to now is 140.9 secs Computing kpt #: 220 total cpu time spent up to now is 141.5 secs Computing kpt #: 221 total cpu time spent up to now is 142.2 secs Computing kpt #: 222 total cpu time spent up to now is 142.8 secs Computing kpt #: 223 total cpu time spent up to now is 143.4 secs Computing kpt #: 224 total cpu time spent up to now is 144.1 secs Computing kpt #: 225 total cpu time spent up to now is 144.7 secs Computing kpt #: 226 total cpu time spent up to now is 145.3 secs Computing kpt #: 227 total cpu time spent up to now is 146.0 secs Computing kpt #: 228 total cpu time spent up to now is 146.6 secs Computing kpt #: 229 total cpu time spent up to now is 147.2 secs Computing kpt #: 230 total cpu time spent up to now is 147.8 secs Computing kpt #: 231 total cpu time spent up to now is 148.4 secs Computing kpt #: 232 total cpu time spent up to now is 149.1 secs Computing kpt #: 233 total cpu time spent up to now is 149.7 secs Computing kpt #: 234 total cpu time spent up to now is 150.3 secs Computing kpt #: 235 total cpu time spent up to now is 151.0 secs Computing kpt #: 236 total cpu time spent up to now is 151.6 secs Computing kpt #: 237 total cpu time spent up to now is 152.2 secs Computing kpt #: 238 total cpu time spent up to now is 152.9 secs Computing kpt #: 239 total cpu time spent up to now is 153.5 secs Computing kpt #: 240 total cpu time spent up to now is 154.1 secs Computing kpt #: 241 total cpu time spent up to now is 154.7 secs Computing kpt #: 242 total cpu time spent up to now is 155.3 secs Computing kpt #: 243 total cpu time spent up to now is 155.9 secs Computing kpt #: 244 total cpu time spent up to now is 156.5 secs Computing kpt #: 245 total cpu time spent up to now is 157.1 secs Computing kpt #: 246 total cpu time spent up to now is 157.7 secs Computing kpt #: 247 total cpu time spent up to now is 158.3 secs Computing kpt #: 248 total cpu time spent up to now is 158.9 secs Computing kpt #: 249 total cpu time spent up to now is 159.5 secs Computing kpt #: 250 total cpu time spent up to now is 160.1 secs Computing kpt #: 251 total cpu time spent up to now is 160.7 secs Computing kpt #: 252 total cpu time spent up to now is 161.3 secs Computing kpt #: 253 total cpu time spent up to now is 161.9 secs Computing kpt #: 254 total cpu time spent up to now is 162.4 secs Computing kpt #: 255 total cpu time spent up to now is 163.0 secs Computing kpt #: 256 total cpu time spent up to now is 163.6 secs Computing kpt #: 257 total cpu time spent up to now is 164.1 secs Computing kpt #: 258 total cpu time spent up to now is 164.7 secs Computing kpt #: 259 total cpu time spent up to now is 165.2 secs Computing kpt #: 260 total cpu time spent up to now is 165.8 secs Computing kpt #: 261 total cpu time spent up to now is 166.3 secs Computing kpt #: 262 total cpu time spent up to now is 166.9 secs Computing kpt #: 263 total cpu time spent up to now is 167.5 secs Computing kpt #: 264 total cpu time spent up to now is 168.0 secs Computing kpt #: 265 total cpu time spent up to now is 168.6 secs Computing kpt #: 266 total cpu time spent up to now is 169.1 secs Computing kpt #: 267 total cpu time spent up to now is 169.7 secs Computing kpt #: 268 total cpu time spent up to now is 170.3 secs Computing kpt #: 269 total cpu time spent up to now is 170.9 secs Computing kpt #: 270 total cpu time spent up to now is 171.5 secs Computing kpt #: 271 total cpu time spent up to now is 172.1 secs Computing kpt #: 272 total cpu time spent up to now is 172.7 secs Computing kpt #: 273 total cpu time spent up to now is 173.4 secs Computing kpt #: 274 total cpu time spent up to now is 174.1 secs Computing kpt #: 275 total cpu time spent up to now is 174.7 secs Computing kpt #: 276 total cpu time spent up to now is 175.5 secs Computing kpt #: 277 total cpu time spent up to now is 176.2 secs Computing kpt #: 278 total cpu time spent up to now is 176.9 secs Computing kpt #: 279 total cpu time spent up to now is 177.7 secs Computing kpt #: 280 total cpu time spent up to now is 178.4 secs Computing kpt #: 281 total cpu time spent up to now is 179.1 secs Computing kpt #: 282 total cpu time spent up to now is 179.8 secs Computing kpt #: 283 total cpu time spent up to now is 180.4 secs Computing kpt #: 284 total cpu time spent up to now is 181.1 secs Computing kpt #: 285 total cpu time spent up to now is 181.7 secs Computing kpt #: 286 total cpu time spent up to now is 182.3 secs Computing kpt #: 287 total cpu time spent up to now is 183.0 secs Computing kpt #: 288 total cpu time spent up to now is 183.6 secs Computing kpt #: 289 total cpu time spent up to now is 184.2 secs Computing kpt #: 290 total cpu time spent up to now is 184.9 secs Computing kpt #: 291 total cpu time spent up to now is 185.5 secs Computing kpt #: 292 total cpu time spent up to now is 186.2 secs Computing kpt #: 293 total cpu time spent up to now is 186.9 secs Computing kpt #: 294 total cpu time spent up to now is 187.5 secs Computing kpt #: 295 total cpu time spent up to now is 188.2 secs Computing kpt #: 296 total cpu time spent up to now is 188.8 secs Computing kpt #: 297 total cpu time spent up to now is 189.4 secs Computing kpt #: 298 total cpu time spent up to now is 190.0 secs Computing kpt #: 299 total cpu time spent up to now is 190.6 secs Computing kpt #: 300 total cpu time spent up to now is 191.2 secs Computing kpt #: 301 total cpu time spent up to now is 191.8 secs Computing kpt #: 302 total cpu time spent up to now is 192.4 secs Computing kpt #: 303 total cpu time spent up to now is 193.0 secs Computing kpt #: 304 total cpu time spent up to now is 193.7 secs Computing kpt #: 305 total cpu time spent up to now is 194.3 secs Computing kpt #: 306 total cpu time spent up to now is 194.9 secs Computing kpt #: 307 total cpu time spent up to now is 195.5 secs Computing kpt #: 308 total cpu time spent up to now is 196.1 secs Computing kpt #: 309 total cpu time spent up to now is 196.7 secs Computing kpt #: 310 total cpu time spent up to now is 197.3 secs Computing kpt #: 311 total cpu time spent up to now is 197.9 secs Computing kpt #: 312 total cpu time spent up to now is 198.5 secs Computing kpt #: 313 total cpu time spent up to now is 199.1 secs Computing kpt #: 314 total cpu time spent up to now is 199.7 secs Computing kpt #: 315 total cpu time spent up to now is 200.4 secs Computing kpt #: 316 total cpu time spent up to now is 201.0 secs Computing kpt #: 317 total cpu time spent up to now is 201.6 secs Computing kpt #: 318 total cpu time spent up to now is 202.2 secs Computing kpt #: 319 total cpu time spent up to now is 202.9 secs Computing kpt #: 320 total cpu time spent up to now is 203.5 secs Computing kpt #: 321 total cpu time spent up to now is 204.1 secs Computing kpt #: 322 total cpu time spent up to now is 204.8 secs Computing kpt #: 323 total cpu time spent up to now is 205.4 secs Computing kpt #: 324 total cpu time spent up to now is 206.1 secs Computing kpt #: 325 total cpu time spent up to now is 206.7 secs Computing kpt #: 326 total cpu time spent up to now is 207.3 secs Computing kpt #: 327 total cpu time spent up to now is 207.9 secs Computing kpt #: 328 total cpu time spent up to now is 208.5 secs Computing kpt #: 329 total cpu time spent up to now is 209.1 secs Computing kpt #: 330 total cpu time spent up to now is 209.6 secs Computing kpt #: 331 total cpu time spent up to now is 210.2 secs Computing kpt #: 332 total cpu time spent up to now is 210.8 secs Computing kpt #: 333 total cpu time spent up to now is 211.3 secs Computing kpt #: 334 total cpu time spent up to now is 211.9 secs Computing kpt #: 335 total cpu time spent up to now is 212.4 secs Computing kpt #: 336 total cpu time spent up to now is 213.0 secs Computing kpt #: 337 total cpu time spent up to now is 213.5 secs Computing kpt #: 338 total cpu time spent up to now is 214.1 secs ethr = 2.27E-08, avg # of iterations = 16.6 total cpu time spent up to now is 214.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3831 PWs) bands (ev): -18.6298 -18.6298 -5.2863 -5.2863 -4.3517 -4.3517 -3.9567 -3.9567 -3.0117 -3.0117 -2.5053 -2.5053 3.6358 3.6358 5.6299 5.6299 5.7325 5.7325 5.7434 5.7434 5.9937 5.9937 6.1621 6.1621 6.6279 6.6279 7.2970 7.2970 7.4429 7.4429 7.8157 7.8157 7.9147 7.9147 8.0391 8.0391 8.1855 8.1855 9.4051 9.4051 9.5965 9.5965 9.6174 9.6174 9.9268 9.9268 10.5033 10.5033 12.4906 12.4906 12.6654 12.6654 k = 0.0000 0.0000 0.0229 ( 3835 PWs) bands (ev): -18.6297 -18.6297 -5.2865 -5.2865 -4.3520 -4.3520 -3.9558 -3.9558 -3.0117 -3.0117 -2.5060 -2.5060 3.6373 3.6373 5.6292 5.6292 5.7322 5.7322 5.7423 5.7423 5.9926 5.9926 6.1608 6.1608 6.6284 6.6284 7.2968 7.2968 7.4432 7.4432 7.8150 7.8150 7.9133 7.9133 8.0372 8.0372 8.1869 8.1869 9.4002 9.4002 9.5852 9.5852 9.6135 9.6135 9.9401 9.9401 10.5146 10.5146 12.4952 12.4952 12.6660 12.6660 k = 0.0000 0.0000 0.0457 ( 3839 PWs) bands (ev): -18.6294 -18.6294 -5.2870 -5.2870 -4.3527 -4.3527 -3.9533 -3.9533 -3.0116 -3.0116 -2.5082 -2.5082 3.6418 3.6418 5.6269 5.6269 5.7306 5.7306 5.7400 5.7400 5.9888 5.9888 6.1569 6.1569 6.6298 6.6298 7.2965 7.2965 7.4439 7.4439 7.8132 7.8132 7.9093 7.9093 8.0321 8.0321 8.1910 8.1910 9.3855 9.3855 9.5547 9.5547 9.6036 9.6036 9.9761 9.9761 10.5474 10.5474 12.5090 12.5090 12.6675 12.6675 k = 0.0000 0.0000 0.0686 ( 3837 PWs) bands (ev): -18.6290 -18.6290 -5.2878 -5.2878 -4.3540 -4.3540 -3.9493 -3.9493 -3.0115 -3.0115 -2.5118 -2.5118 3.6492 3.6492 5.6226 5.6226 5.7259 5.7259 5.7387 5.7387 5.9819 5.9819 6.1513 6.1513 6.6321 6.6321 7.2960 7.2960 7.4451 7.4451 7.8102 7.8102 7.9028 7.9028 8.0239 8.0239 8.1974 8.1974 9.3616 9.3616 9.5117 9.5117 9.5909 9.5909 10.0275 10.0275 10.5982 10.5982 12.5317 12.5317 12.6701 12.6701 k = 0.0000 0.0000 0.0915 ( 3837 PWs) bands (ev): -18.6284 -18.6284 -5.2890 -5.2890 -4.3555 -4.3555 -3.9438 -3.9438 -3.0112 -3.0112 -2.5167 -2.5167 3.6595 3.6595 5.6157 5.6157 5.7186 5.7186 5.7390 5.7390 5.9710 5.9710 6.1448 6.1448 6.6353 6.6353 7.2953 7.2953 7.4467 7.4467 7.8060 7.8060 7.8940 7.8940 8.0134 8.0134 8.2051 8.2051 9.3299 9.3299 9.4612 9.4612 9.5780 9.5780 10.0890 10.0890 10.6629 10.6629 12.5631 12.5631 12.6737 12.6737 k = 0.0000 0.0000 0.1143 ( 3837 PWs) bands (ev): -18.6276 -18.6276 -5.2905 -5.2905 -4.3572 -4.3572 -3.9369 -3.9369 -3.0109 -3.0109 -2.5231 -2.5231 3.6726 3.6726 5.6051 5.6051 5.7104 5.7104 5.7402 5.7402 5.9550 5.9550 6.1387 6.1387 6.6393 6.6393 7.2945 7.2945 7.4487 7.4487 7.8005 7.8005 7.8832 7.8832 8.0010 8.0010 8.2137 8.2137 9.2923 9.2923 9.4068 9.4068 9.5657 9.5657 10.1575 10.1575 10.7379 10.7379 12.6024 12.6024 12.6786 12.6786 k = 0.0000 0.0000 0.1372 ( 3841 PWs) bands (ev): -18.6267 -18.6267 -5.2924 -5.2924 -4.3589 -4.3589 -3.9289 -3.9289 -3.0106 -3.0106 -2.5307 -2.5307 3.6882 3.6882 5.5900 5.5900 5.7027 5.7027 5.7418 5.7418 5.9333 5.9333 6.1339 6.1339 6.6443 6.6443 7.2936 7.2936 7.4508 7.4508 7.7940 7.7940 7.8706 7.8706 7.9870 7.9870 8.2227 8.2227 9.2507 9.2507 9.3507 9.3507 9.5541 9.5541 10.2314 10.2314 10.8198 10.8198 12.6474 12.6474 12.6868 12.6868 k = 0.0000 0.0000 0.1601 ( 3841 PWs) bands (ev): -18.6257 -18.6257 -5.2947 -5.2947 -4.3605 -4.3605 -3.9200 -3.9200 -3.0101 -3.0101 -2.5396 -2.5396 3.7063 3.7063 5.5700 5.5700 5.6963 5.6963 5.7438 5.7438 5.9055 5.9055 6.1310 6.1310 6.6499 6.6499 7.2927 7.2927 7.4531 7.4531 7.7863 7.7863 7.8565 7.8565 7.9718 7.9718 8.2317 8.2317 9.2068 9.2068 9.2946 9.2946 9.5427 9.5427 10.3097 10.3097 10.9062 10.9062 12.6798 12.6798 12.7157 12.7157 k = 0.0000 0.0000 0.1829 ( 3837 PWs) bands (ev): -18.6244 -18.6244 -5.2973 -5.2973 -4.3617 -4.3617 -3.9103 -3.9103 -3.0096 -3.0096 -2.5498 -2.5498 3.7266 3.7266 5.5453 5.5453 5.6916 5.6916 5.7460 5.7460 5.8720 5.8720 6.1300 6.1300 6.6564 6.6564 7.2917 7.2917 7.4554 7.4554 7.7776 7.7776 7.8412 7.8412 7.9557 7.9557 8.2406 8.2406 9.1617 9.1617 9.2395 9.2395 9.5310 9.5310 10.3918 10.3918 10.9949 10.9949 12.6907 12.6907 12.7738 12.7738 k = 0.0000 0.0000 0.2058 ( 3845 PWs) bands (ev): -18.6230 -18.6230 -5.3003 -5.3003 -4.3625 -4.3625 -3.8999 -3.8999 -3.0091 -3.0091 -2.5611 -2.5611 3.7488 3.7488 5.5166 5.5166 5.6879 5.6879 5.7483 5.7483 5.8336 5.8336 6.1309 6.1309 6.6635 6.6635 7.2906 7.2906 7.4576 7.4576 7.7675 7.7675 7.8247 7.8247 7.9387 7.9387 8.2489 8.2489 9.1164 9.1164 9.1863 9.1863 9.5188 9.5188 10.4774 10.4774 11.0841 11.0841 12.6995 12.6995 12.8191 12.8191 k = 0.0000 0.0000 0.2287 ( 3845 PWs) bands (ev): -18.6215 -18.6215 -5.3036 -5.3036 -4.3626 -4.3626 -3.8891 -3.8891 -3.0084 -3.0084 -2.5734 -2.5734 3.7726 3.7726 5.4846 5.4846 5.6848 5.6848 5.7493 5.7493 5.7925 5.7925 6.1331 6.1331 6.6712 6.6712 7.2894 7.2894 7.4597 7.4597 7.7566 7.7566 7.8073 7.8073 7.9212 7.9212 8.2568 8.2568 9.0716 9.0716 9.1353 9.1353 9.5056 9.5056 10.5661 10.5661 11.1719 11.1719 12.7089 12.7089 12.8313 12.8313 k = 0.0000 0.0000 0.2515 ( 3841 PWs) bands (ev): -18.6198 -18.6198 -5.3073 -5.3073 -4.3620 -4.3620 -3.8780 -3.8780 -3.0078 -3.0078 -2.5867 -2.5867 3.7977 3.7977 5.4502 5.4502 5.6798 5.6798 5.7357 5.7357 5.7647 5.7647 6.1365 6.1365 6.6795 6.6795 7.2881 7.2881 7.4615 7.4615 7.7446 7.7446 7.7890 7.7890 7.9033 7.9033 8.2642 8.2642 9.0279 9.0279 9.0864 9.0864 9.4915 9.4915 10.6577 10.6577 11.2569 11.2569 12.7197 12.7197 12.8470 12.8470 k = 0.0000 0.0000 0.2744 ( 3831 PWs) bands (ev): -18.6180 -18.6180 -5.3113 -5.3113 -4.3605 -4.3605 -3.8666 -3.8666 -3.0072 -3.0072 -2.6010 -2.6010 3.8236 3.8236 5.4144 5.4144 5.6621 5.6621 5.7055 5.7055 5.7636 5.7636 6.1405 6.1405 6.6883 6.6883 7.2867 7.2867 7.4630 7.4630 7.7317 7.7317 7.7699 7.7699 7.8853 7.8853 8.2709 8.2709 8.9861 8.9861 9.0397 9.0397 9.4762 9.4762 10.7522 10.7522 11.3373 11.3373 12.7324 12.7324 12.8657 12.8657 k = 0.0000 0.0000 0.2972 ( 3827 PWs) bands (ev): -18.6161 -18.6161 -5.3157 -5.3157 -4.3581 -4.3581 -3.8551 -3.8551 -3.0067 -3.0067 -2.6159 -2.6159 3.8499 3.8499 5.3778 5.3778 5.6179 5.6179 5.6951 5.6951 5.7667 5.7667 6.1451 6.1451 6.6977 6.6977 7.2850 7.2850 7.4638 7.4638 7.7180 7.7180 7.7502 7.7502 7.8674 7.8674 8.2768 8.2768 8.9466 8.9466 8.9948 8.9948 9.4598 9.4598 10.8494 10.8494 11.4116 11.4116 12.7475 12.7475 12.8869 12.8869 k = 0.0000 0.0000 0.3201 ( 3823 PWs) bands (ev): -18.6140 -18.6140 -5.3203 -5.3203 -4.3548 -4.3548 -3.8436 -3.8436 -3.0063 -3.0063 -2.6316 -2.6316 3.8761 3.8761 5.3412 5.3412 5.5627 5.5627 5.6928 5.6928 5.7707 5.7707 6.1499 6.1499 6.7075 6.7075 7.2829 7.2829 7.4640 7.4640 7.7038 7.7038 7.7298 7.7298 7.8497 7.8497 8.2821 8.2821 8.9097 8.9097 8.9517 8.9517 9.4422 9.4422 10.9490 10.9490 11.4781 11.4781 12.7657 12.7657 12.9093 12.9093 k = 0.0000 0.0000 0.3430 ( 3831 PWs) bands (ev): -18.6119 -18.6119 -5.3252 -5.3252 -4.3504 -4.3504 -3.8320 -3.8320 -3.0061 -3.0061 -2.6478 -2.6478 3.9015 3.9015 5.3056 5.3056 5.5035 5.5035 5.6924 5.6924 5.7751 5.7751 6.1548 6.1548 6.7176 6.7176 7.2804 7.2804 7.4633 7.4633 7.6888 7.6888 7.7089 7.7089 7.8322 7.8322 8.2868 8.2868 8.8760 8.8760 8.9099 8.9099 9.4235 9.4235 11.0511 11.0511 11.5354 11.5354 12.7876 12.7876 12.9315 12.9315 k = 0.0000 0.0000 0.3658 ( 3827 PWs) bands (ev): -18.6096 -18.6096 -5.3303 -5.3303 -4.3451 -4.3451 -3.8205 -3.8205 -3.0063 -3.0063 -2.6644 -2.6644 3.9256 3.9256 5.2716 5.2716 5.4421 5.4421 5.6927 5.6927 5.7796 5.7796 6.1596 6.1596 6.7281 6.7281 7.2774 7.2774 7.4614 7.4614 7.6734 7.6734 7.6878 7.6878 7.8152 7.8152 8.2909 8.2909 8.8455 8.8455 8.8695 8.8695 9.4038 9.4038 11.1555 11.1555 11.5824 11.5824 12.8137 12.8137 12.9515 12.9515 k = 0.0000 0.0000 0.3887 ( 3815 PWs) bands (ev): -18.6072 -18.6072 -5.3355 -5.3355 -4.3387 -4.3387 -3.8090 -3.8090 -3.0069 -3.0069 -2.6813 -2.6813 3.9476 3.9476 5.2400 5.2400 5.3792 5.3792 5.6933 5.6933 5.7843 5.7843 6.1643 6.1643 6.7389 6.7389 7.2738 7.2738 7.4583 7.4583 7.6569 7.6569 7.6676 7.6676 7.7989 7.7989 8.2944 8.2944 8.8183 8.8183 8.8302 8.8302 9.3829 9.3829 11.2619 11.2619 11.6185 11.6185 12.8440 12.8440 12.9670 12.9670 k = 0.0000 0.0000 0.4116 ( 3823 PWs) bands (ev): -18.6047 -18.6047 -5.3409 -5.3409 -4.3314 -4.3314 -3.7975 -3.7975 -3.0081 -3.0081 -2.6983 -2.6983 3.9670 3.9670 5.2113 5.2113 5.3156 5.3156 5.6940 5.6940 5.7890 5.7890 6.1688 6.1688 6.7500 6.7500 7.2695 7.2695 7.4536 7.4536 7.6371 7.6371 7.6504 7.6504 7.7830 7.7830 8.2974 8.2974 8.7915 8.7915 8.7948 8.7948 9.3610 9.3610 11.3700 11.3700 11.6436 11.6436 12.8771 12.8771 12.9766 12.9766 k = 0.0000 0.0000 0.4344 ( 3823 PWs) bands (ev): -18.6022 -18.6022 -5.3464 -5.3464 -4.3232 -4.3232 -3.7860 -3.7860 -3.0101 -3.0101 -2.7153 -2.7153 3.9831 3.9831 5.1851 5.1851 5.2530 5.2530 5.6948 5.6948 5.7935 5.7935 6.1731 6.1731 6.7612 6.7612 7.2645 7.2645 7.4470 7.4470 7.6149 7.6149 7.6361 7.6361 7.7679 7.7679 8.3000 8.3000 8.7542 8.7542 8.7741 8.7741 9.3379 9.3379 11.4788 11.4788 11.6591 11.6591 12.9060 12.9060 12.9841 12.9841 k = 0.0000 0.0000 0.4573 ( 3828 PWs) bands (ev): -18.5996 -18.5996 -5.3519 -5.3519 -4.3140 -4.3140 -3.7744 -3.7744 -3.0130 -3.0130 -2.7321 -2.7321 3.9953 3.9953 5.1557 5.1557 5.1979 5.1979 5.6955 5.6955 5.7979 5.7979 6.1771 6.1771 6.7726 6.7726 7.2587 7.2587 7.4386 7.4386 7.5917 7.5917 7.6235 7.6235 7.7534 7.7534 8.3023 8.3023 8.7175 8.7175 8.7567 8.7567 9.3136 9.3136 11.5826 11.5826 11.6715 11.6715 12.9118 12.9118 13.0062 13.0062 k = 0.0000 0.0000 0.4802 ( 3838 PWs) bands (ev): -18.5969 -18.5969 -5.3574 -5.3574 -4.3041 -4.3041 -3.7628 -3.7628 -3.0170 -3.0170 -2.7485 -2.7485 4.0034 4.0034 5.1057 5.1057 5.1684 5.1684 5.6961 5.6961 5.8020 5.8020 6.1811 6.1811 6.7840 6.7840 7.2520 7.2520 7.4281 7.4281 7.5680 7.5680 7.6125 7.6125 7.7397 7.7397 8.3041 8.3041 8.6814 8.6814 8.7424 8.7424 9.2880 9.2880 11.6349 11.6349 11.7285 11.7285 12.8882 12.8882 13.0480 13.0480 k = 0.0000 0.0000 0.5030 ( 3818 PWs) bands (ev): -18.5941 -18.5941 -5.3628 -5.3628 -4.2934 -4.2934 -3.7509 -3.7509 -3.0223 -3.0223 -2.7645 -2.7645 4.0071 4.0071 5.0435 5.0435 5.1566 5.1566 5.6964 5.6964 5.8058 5.8058 6.1851 6.1851 6.7955 6.7955 7.2446 7.2446 7.4156 7.4156 7.5443 7.5443 7.6028 7.6028 7.7268 7.7268 8.3057 8.3057 8.6460 8.6460 8.7309 8.7309 9.2609 9.2609 11.6309 11.6309 11.8364 11.8364 12.8468 12.8468 13.0975 13.0975 k = 0.0000 0.0000 0.5259 ( 3818 PWs) bands (ev): -18.5913 -18.5913 -5.3681 -5.3681 -4.2820 -4.2820 -3.7389 -3.7389 -3.0289 -3.0289 -2.7799 -2.7799 4.0065 4.0065 4.9792 4.9792 5.1528 5.1528 5.6963 5.6963 5.8091 5.8091 6.1891 6.1891 6.8069 6.8069 7.2363 7.2363 7.4012 7.4012 7.5204 7.5204 7.5944 7.5944 7.7148 7.7148 8.3070 8.3070 8.6110 8.6110 8.7219 8.7219 9.2320 9.2320 11.6147 11.6147 11.9524 11.9524 12.7949 12.7949 13.1429 13.1429 k = 0.0000 0.0000 0.5488 ( 3808 PWs) bands (ev): -18.5885 -18.5885 -5.3732 -5.3732 -4.2700 -4.2700 -3.7265 -3.7265 -3.0370 -3.0370 -2.7947 -2.7947 4.0019 4.0019 4.9147 4.9147 5.1547 5.1547 5.6958 5.6958 5.8119 5.8119 6.1934 6.1934 6.8183 6.8183 7.2272 7.2272 7.3851 7.3851 7.4967 7.4967 7.5871 7.5871 7.7037 7.7037 8.3081 8.3081 8.5765 8.5765 8.7151 8.7151 9.2011 9.2011 11.5930 11.5930 12.0713 12.0713 12.7374 12.7374 13.1511 13.1511 k = 0.0000 0.0000 0.5716 ( 3812 PWs) bands (ev): -18.5856 -18.5856 -5.3782 -5.3782 -4.2574 -4.2574 -3.7138 -3.7138 -3.0466 -3.0466 -2.8089 -2.8089 3.9939 3.9939 4.8505 4.8505 5.1615 5.1615 5.6945 5.6945 5.8141 5.8141 6.1981 6.1981 6.8295 6.8295 7.2174 7.2174 7.3676 7.3676 7.4732 7.4732 7.5806 7.5806 7.6935 7.6935 8.3090 8.3090 8.5424 8.5424 8.7101 8.7101 9.1680 9.1680 11.5683 11.5683 12.1920 12.1920 12.6783 12.6783 13.1219 13.1219 k = 0.0000 0.0000 0.5945 ( 3812 PWs) bands (ev): -18.5828 -18.5828 -5.3829 -5.3829 -4.2443 -4.2443 -3.7007 -3.7007 -3.0577 -3.0577 -2.8225 -2.8225 3.9830 3.9830 4.7871 4.7871 5.1723 5.1723 5.6924 5.6924 5.8159 5.8159 6.2034 6.2034 6.8403 6.8403 7.2069 7.2069 7.3489 7.3489 7.4501 7.4501 7.5748 7.5748 7.6844 7.6844 8.3096 8.3096 8.5087 8.5087 8.7064 8.7064 9.1323 9.1323 11.5421 11.5421 12.3138 12.3138 12.6209 12.6209 13.0843 13.0843 k = 0.0000 0.0000 0.6174 ( 3820 PWs) bands (ev): -18.5799 -18.5799 -5.3874 -5.3874 -4.2308 -4.2308 -3.6872 -3.6872 -3.0702 -3.0702 -2.8358 -2.8358 3.9701 3.9701 4.7247 4.7247 5.1862 5.1862 5.6893 5.6893 5.8171 5.8171 6.2094 6.2094 6.8508 6.8508 7.1959 7.1959 7.3293 7.3293 7.4274 7.4274 7.5695 7.5695 7.6763 7.6763 8.3100 8.3100 8.4753 8.4753 8.7037 8.7037 9.0939 9.0939 11.5158 11.5158 12.4352 12.4352 12.5693 12.5693 13.0448 13.0448 k = 0.0000 0.0000 0.6402 ( 3820 PWs) bands (ev): -18.5770 -18.5770 -5.3916 -5.3916 -4.2168 -4.2168 -3.6731 -3.6731 -3.0840 -3.0840 -2.8489 -2.8489 3.9559 3.9559 4.6634 4.6634 5.2022 5.2022 5.6849 5.6849 5.8180 5.8180 6.2164 6.2164 6.8609 6.8609 7.1845 7.1845 7.3090 7.3090 7.4054 7.4054 7.5646 7.5646 7.6694 7.6694 8.3102 8.3102 8.4424 8.4424 8.7014 8.7014 9.0524 9.0524 11.4905 11.4905 12.5070 12.5070 12.5742 12.5742 13.0052 13.0052 k = 0.0000 0.0000 0.6631 ( 3818 PWs) bands (ev): -18.5741 -18.5741 -5.3955 -5.3955 -4.2024 -4.2024 -3.6585 -3.6585 -3.0988 -3.0988 -2.8619 -2.8619 3.9412 3.9412 4.6035 4.6035 5.2196 5.2196 5.6791 5.6791 5.8187 5.8187 6.2245 6.2245 6.8704 6.8704 7.1728 7.1728 7.2884 7.2884 7.3840 7.3840 7.5599 7.5599 7.6635 7.6635 8.3100 8.3100 8.4098 8.4098 8.6991 8.6991 9.0078 9.0078 11.4672 11.4672 12.4732 12.4732 12.6925 12.6925 12.9663 12.9663 k = 0.0000 0.0000 0.6860 ( 3814 PWs) bands (ev): -18.5712 -18.5712 -5.3991 -5.3991 -4.1876 -4.1876 -3.6434 -3.6434 -3.1146 -3.1146 -2.8751 -2.8751 3.9266 3.9266 4.5450 4.5450 5.2374 5.2374 5.6718 5.6718 5.8192 5.8192 6.2337 6.2337 6.8794 6.8794 7.1610 7.1610 7.2676 7.2676 7.3635 7.3635 7.5554 7.5554 7.6588 7.6588 8.3095 8.3095 8.3777 8.3777 8.6963 8.6963 8.9600 8.9600 11.4468 11.4468 12.4416 12.4416 12.8152 12.8152 12.9309 12.9309 k = 0.0000 0.0000 0.7088 ( 3818 PWs) bands (ev): -18.5684 -18.5684 -5.4023 -5.4023 -4.1725 -4.1725 -3.6278 -3.6278 -3.1310 -3.1310 -2.8888 -2.8888 3.9128 3.9128 4.4880 4.4880 5.2550 5.2550 5.6628 5.6628 5.8198 5.8198 6.2442 6.2442 6.8877 6.8877 7.1491 7.1491 7.2466 7.2466 7.3439 7.3439 7.5511 7.5511 7.6550 7.6550 8.3080 8.3080 8.3466 8.3466 8.6924 8.6924 8.9089 8.9089 11.4300 11.4300 12.4184 12.4184 12.8767 12.8767 12.9587 12.9587 k = 0.0000 0.0000 0.7317 ( 3818 PWs) bands (ev): -18.5656 -18.5656 -5.4053 -5.4053 -4.1569 -4.1569 -3.6117 -3.6117 -3.1479 -3.1479 -2.9031 -2.9031 3.9003 3.9003 4.4328 4.4328 5.2716 5.2716 5.6521 5.6521 5.8205 5.8205 6.2558 6.2558 6.8954 6.8954 7.1373 7.1373 7.2257 7.2257 7.3253 7.3253 7.5471 7.5471 7.6522 7.6522 8.3011 8.3011 8.3209 8.3209 8.6872 8.6872 8.8547 8.8547 11.4174 11.4174 12.4045 12.4045 12.8457 12.8457 13.0174 13.0174 k = 0.0000 0.0000 0.7545 ( 3822 PWs) bands (ev): -18.5629 -18.5629 -5.4080 -5.4080 -4.1409 -4.1409 -3.5953 -3.5953 -3.1651 -3.1651 -2.9182 -2.9182 3.8895 3.8895 4.3793 4.3793 5.2866 5.2866 5.6399 5.6399 5.8214 5.8214 6.2687 6.2687 6.9023 6.9023 7.1256 7.1256 7.2051 7.2051 7.3077 7.3077 7.5434 7.5434 7.6502 7.6502 8.2770 8.2770 8.3123 8.3123 8.6802 8.6802 8.7977 8.7977 11.4092 11.4092 12.4000 12.4000 12.8102 12.8102 12.9321 12.9321 k = 0.0000 0.0000 0.7774 ( 3822 PWs) bands (ev): -18.5602 -18.5602 -5.4103 -5.4103 -4.1244 -4.1244 -3.5785 -3.5785 -3.1825 -3.1825 -2.9342 -2.9342 3.8809 3.8809 4.3277 4.3277 5.2996 5.2996 5.6262 5.6262 5.8226 5.8226 6.2828 6.2828 6.9084 6.9084 7.1142 7.1142 7.1850 7.1850 7.2912 7.2912 7.5401 7.5401 7.6488 7.6488 8.2470 8.2470 8.3098 8.3098 8.6713 8.6713 8.7381 8.7381 11.4056 11.4056 12.4051 12.4051 12.7744 12.7744 12.8540 12.8540 k = 0.0000 0.0000 0.8003 ( 3824 PWs) bands (ev): -18.5576 -18.5576 -5.4123 -5.4123 -4.1074 -4.1074 -3.5614 -3.5614 -3.1999 -3.1999 -2.9512 -2.9512 3.8747 3.8747 4.2781 4.2781 5.3100 5.3100 5.6111 5.6111 5.8240 5.8240 6.2979 6.2979 6.9138 6.9138 7.1030 7.1030 7.1655 7.1655 7.2759 7.2759 7.5372 7.5372 7.6481 7.6481 8.2163 8.2163 8.3077 8.3077 8.6598 8.6598 8.6769 8.6769 11.4065 11.4065 12.4197 12.4197 12.7372 12.7372 12.7865 12.7865 k = 0.0000 0.0000 0.8231 ( 3830 PWs) bands (ev): -18.5550 -18.5550 -5.4141 -5.4141 -4.0898 -4.0898 -3.5443 -3.5443 -3.2173 -3.2173 -2.9692 -2.9692 3.8711 3.8711 4.2306 4.2306 5.3175 5.3175 5.5951 5.5951 5.8257 5.8257 6.3141 6.3141 6.9184 6.9184 7.0919 7.0919 7.1468 7.1468 7.2617 7.2617 7.5350 7.5350 7.6479 7.6479 8.1857 8.1857 8.3052 8.3052 8.6126 8.6126 8.6477 8.6477 11.4114 11.4114 12.4433 12.4433 12.6953 12.6953 12.7342 12.7342 k = 0.0000 0.0000 0.8460 ( 3824 PWs) bands (ev): -18.5525 -18.5525 -5.4156 -5.4156 -4.0716 -4.0716 -3.5271 -3.5271 -3.2345 -3.2345 -2.9884 -2.9884 3.8702 3.8702 4.1852 4.1852 5.3219 5.3219 5.5783 5.5783 5.8275 5.8275 6.3312 6.3312 6.9224 6.9224 7.0809 7.0809 7.1292 7.1292 7.2487 7.2487 7.5334 7.5334 7.6481 7.6481 8.1554 8.1554 8.3018 8.3018 8.5489 8.5489 8.6325 8.6325 11.4197 11.4197 12.4756 12.4756 12.6503 12.6503 12.6966 12.6966 k = 0.0000 0.0000 0.8689 ( 3820 PWs) bands (ev): -18.5501 -18.5501 -5.4169 -5.4169 -4.0527 -4.0527 -3.5100 -3.5100 -3.2514 -3.2514 -3.0085 -3.0085 3.8721 3.8721 4.1421 4.1421 5.3230 5.3230 5.5609 5.5609 5.8295 5.8295 6.3490 6.3490 6.9258 6.9258 7.0698 7.0698 7.1132 7.1132 7.2367 7.2367 7.5326 7.5326 7.6485 7.6485 8.1255 8.1255 8.2964 8.2964 8.4859 8.4859 8.6156 8.6156 11.4303 11.4303 12.5155 12.5155 12.6108 12.6108 12.6668 12.6668 k = 0.0000 0.0000 0.8917 ( 3818 PWs) bands (ev): -18.5479 -18.5479 -5.4179 -5.4179 -4.0331 -4.0331 -3.4931 -3.4931 -3.2680 -3.2680 -3.0297 -3.0297 3.8768 3.8768 4.1013 4.1013 5.3208 5.3208 5.5433 5.5433 5.8315 5.8315 6.3675 6.3675 6.9288 6.9288 7.0582 7.0582 7.0990 7.0990 7.2258 7.2258 7.5326 7.5326 7.6493 7.6493 8.0959 8.0959 8.2862 8.2862 8.4266 8.4266 8.5972 8.5972 11.4422 11.4422 12.5603 12.5603 12.5812 12.5812 12.6437 12.6437 k = 0.0000 0.0000 0.9146 ( 3826 PWs) bands (ev): -18.5457 -18.5457 -5.4188 -5.4188 -4.0127 -4.0127 -3.4768 -3.4768 -3.2843 -3.2843 -3.0517 -3.0517 3.8839 3.8839 4.0631 4.0631 5.3151 5.3151 5.5256 5.5256 5.8336 5.8336 6.3864 6.3864 6.9313 6.9313 7.0460 7.0460 7.0870 7.0870 7.2157 7.2157 7.5332 7.5332 7.6502 7.6502 8.0667 8.0667 8.2651 8.2651 8.3781 8.3781 8.5778 8.5778 11.4540 11.4540 12.5628 12.5628 12.5903 12.5903 12.6463 12.6463 k = 0.0000 0.0000 0.9375 ( 3828 PWs) bands (ev): -18.5436 -18.5436 -5.4194 -5.4194 -3.9915 -3.9915 -3.4610 -3.4610 -3.3002 -3.3002 -3.0744 -3.0744 3.8932 3.8932 4.0279 4.0279 5.3062 5.3062 5.5080 5.5080 5.8357 5.8357 6.4058 6.4058 6.9335 6.9335 7.0334 7.0334 7.0772 7.0772 7.2066 7.2066 7.5348 7.5348 7.6513 7.6513 8.0381 8.0381 8.2252 8.2252 8.3486 8.3486 8.5576 8.5576 11.4644 11.4644 12.5538 12.5538 12.5840 12.5840 12.6979 12.6979 k = 0.0000 0.0000 0.9603 ( 3824 PWs) bands (ev): -18.5416 -18.5416 -5.4199 -5.4199 -3.9694 -3.9694 -3.4461 -3.4461 -3.3159 -3.3159 -3.0976 -3.0976 3.9035 3.9035 3.9966 3.9966 5.2943 5.2943 5.4907 5.4907 5.8378 5.8378 6.4253 6.4253 6.9354 6.9354 7.0208 7.0208 7.0694 7.0694 7.1983 7.1983 7.5373 7.5373 7.6524 7.6524 8.0100 8.0100 8.1706 8.1706 8.3345 8.3345 8.5372 8.5372 11.4725 11.4725 12.5445 12.5445 12.5838 12.5838 12.7660 12.7660 k = 0.0000 0.0000 0.9832 ( 3820 PWs) bands (ev): -18.5398 -18.5398 -5.4203 -5.4203 -3.9465 -3.9465 -3.4324 -3.4324 -3.3311 -3.3311 -3.1209 -3.1209 3.9113 3.9113 3.9724 3.9724 5.2798 5.2798 5.4737 5.4737 5.8398 5.8398 6.4447 6.4447 6.9370 6.9370 7.0087 7.0087 7.0632 7.0632 7.1910 7.1910 7.5407 7.5407 7.6534 7.6534 7.9826 7.9826 8.1099 8.1099 8.3275 8.3275 8.5170 8.5170 11.4776 11.4776 12.5288 12.5288 12.6039 12.6039 12.8420 12.8420 k = 0.0000 0.0000 1.0061 ( 3824 PWs) bands (ev): -18.5380 -18.5380 -5.4206 -5.4206 -3.9226 -3.9226 -3.4204 -3.4204 -3.3460 -3.3460 -3.1438 -3.1438 3.9071 3.9071 3.9648 3.9648 5.2629 5.2629 5.4573 5.4573 5.8417 5.8417 6.4638 6.4638 6.9381 6.9381 6.9974 6.9974 7.0584 7.0584 7.1847 7.1847 7.5450 7.5450 7.6545 7.6545 7.9558 7.9558 8.0477 8.0477 8.3235 8.3235 8.4972 8.4972 11.4796 11.4796 12.5115 12.5115 12.6397 12.6397 12.9241 12.9241 k = 0.0000 0.0000 1.0289 ( 3832 PWs) bands (ev): -18.5365 -18.5365 -5.4207 -5.4207 -3.8979 -3.8979 -3.4111 -3.4111 -3.3598 -3.3598 -3.1660 -3.1660 3.8893 3.8893 3.9748 3.9748 5.2443 5.2443 5.4414 5.4414 5.8435 5.8435 6.4824 6.4824 6.9385 6.9385 6.9877 6.9877 7.0547 7.0547 7.1797 7.1797 7.5501 7.5501 7.6553 7.6553 7.9296 7.9296 7.9862 7.9862 8.3209 8.3209 8.4784 8.4784 11.4786 11.4786 12.4950 12.4950 12.6883 12.6883 13.0116 13.0116 k = 0.0000 0.0000 1.0518 ( 3830 PWs) bands (ev): -18.5350 -18.5350 -5.4208 -5.4208 -3.8723 -3.8723 -3.4072 -3.4072 -3.3704 -3.3704 -3.1867 -3.1867 3.8682 3.8682 3.9918 3.9918 5.2243 5.2243 5.4264 5.4264 5.8452 5.8452 6.5002 6.5002 6.9376 6.9376 6.9802 6.9802 7.0517 7.0517 7.1765 7.1765 7.5560 7.5560 7.6560 7.6560 7.9037 7.9037 7.9271 7.9271 8.3193 8.3193 8.4607 8.4607 11.4753 11.4753 12.4796 12.4796 12.7477 12.7477 13.1039 13.1039 k = 0.0000 0.0000 1.0747 ( 3838 PWs) bands (ev): -18.5337 -18.5337 -5.4209 -5.4209 -3.8459 -3.8459 -3.4135 -3.4135 -3.3738 -3.3738 -3.2054 -3.2054 3.8478 3.8478 4.0114 4.0114 5.2036 5.2036 5.4122 5.4122 5.8468 5.8468 6.5169 6.5169 6.9351 6.9351 6.9755 6.9755 7.0490 7.0490 7.1752 7.1752 7.5626 7.5626 7.6563 7.6563 7.8662 7.8662 7.8831 7.8831 8.3181 8.3181 8.4444 8.4444 11.4702 11.4702 12.4657 12.4657 12.8158 12.8158 13.2002 13.2002 k = 0.0000 0.0000 1.0975 ( 3834 PWs) bands (ev): -18.5325 -18.5325 -5.4209 -5.4209 -3.8187 -3.8187 -3.4284 -3.4284 -3.3719 -3.3719 -3.2212 -3.2212 3.8292 3.8292 4.0318 4.0318 5.1827 5.1827 5.3992 5.3992 5.8482 5.8482 6.5323 6.5323 6.9310 6.9310 6.9736 6.9736 7.0465 7.0465 7.1765 7.1765 7.5696 7.5696 7.6560 7.6560 7.8137 7.8137 7.8588 7.8588 8.3174 8.3174 8.4296 8.4296 11.4641 11.4641 12.4534 12.4534 12.8907 12.8907 13.3000 13.3000 k = 0.0000 0.0000 1.1204 ( 3832 PWs) bands (ev): -18.5315 -18.5315 -5.4208 -5.4208 -3.7908 -3.7908 -3.4477 -3.4477 -3.3694 -3.3694 -3.2337 -3.2337 3.8128 3.8128 4.0520 4.0520 5.1624 5.1624 5.3875 5.3875 5.8495 5.8495 6.5461 6.5461 6.9261 6.9261 6.9739 6.9739 7.0436 7.0436 7.1804 7.1804 7.5767 7.5767 7.6547 7.6547 7.7653 7.7653 7.8369 7.8369 8.3169 8.3169 8.4166 8.4166 11.4576 11.4576 12.4426 12.4426 12.9700 12.9700 13.4023 13.4023 k = 0.0000 0.0000 1.1433 ( 3832 PWs) bands (ev): -18.5307 -18.5307 -5.4208 -5.4208 -3.7624 -3.7624 -3.4698 -3.4698 -3.3679 -3.3679 -3.2429 -3.2429 3.7988 3.7988 4.0711 4.0711 5.1433 5.1433 5.3773 5.3773 5.8506 5.8506 6.5581 6.5581 6.9210 6.9210 6.9756 6.9756 7.0404 7.0404 7.1869 7.1869 7.5828 7.5828 7.6511 7.6511 7.7245 7.7245 7.8167 7.8167 8.3167 8.3167 8.4053 8.4053 11.4512 11.4512 12.4335 12.4335 13.0509 13.0509 13.5060 13.5060 k = 0.0000 0.0000 1.1661 ( 3832 PWs) bands (ev): -18.5299 -18.5299 -5.4208 -5.4208 -3.7336 -3.7336 -3.4940 -3.4940 -3.3675 -3.3675 -3.2490 -3.2490 3.7873 3.7873 4.0882 4.0882 5.1262 5.1262 5.3688 5.3688 5.8515 5.8515 6.5681 6.5681 6.9164 6.9164 6.9779 6.9779 7.0369 7.0369 7.1954 7.1954 7.5853 7.5853 7.6436 7.6436 7.6961 7.6961 7.7985 7.7985 8.3167 8.3167 8.3961 8.3961 11.4455 11.4455 12.4260 12.4260 13.1304 13.1304 13.6093 13.6093 k = 0.0000 0.0000 1.1890 ( 3832 PWs) bands (ev): -18.5294 -18.5294 -5.4207 -5.4207 -3.7047 -3.7047 -3.5197 -3.5197 -3.3679 -3.3679 -3.2528 -3.2528 3.7783 3.7783 4.1025 4.1025 5.1118 5.1118 5.3619 5.3619 5.8521 5.8521 6.5761 6.5761 6.9126 6.9126 6.9806 6.9806 7.0333 7.0333 7.2049 7.2049 7.5798 7.5798 7.6359 7.6359 7.6821 7.6821 7.7828 7.7828 8.3168 8.3168 8.3887 8.3887 11.4406 11.4406 12.4202 12.4202 13.2040 13.2040 13.7092 13.7092 k = 0.0000 0.0000 1.2118 ( 3822 PWs) bands (ev): -18.5290 -18.5290 -5.4207 -5.4207 -3.6763 -3.6763 -3.5459 -3.5459 -3.3686 -3.3686 -3.2549 -3.2549 3.7718 3.7718 4.1134 4.1134 5.1010 5.1010 5.3570 5.3570 5.8527 5.8527 6.5818 6.5818 6.9098 6.9098 6.9830 6.9830 7.0302 7.0302 7.2139 7.2139 7.5665 7.5665 7.6343 7.6343 7.6765 7.6765 7.7704 7.7704 8.3170 8.3170 8.3835 8.3835 11.4370 11.4370 12.4160 12.4160 13.2657 13.2657 13.8002 13.8002 k = 0.0000 0.0000 1.2347 ( 3814 PWs) bands (ev): -18.5288 -18.5288 -5.4207 -5.4207 -3.6506 -3.6506 -3.5705 -3.5705 -3.3692 -3.3692 -3.2559 -3.2559 3.7679 3.7679 4.1203 4.1203 5.0942 5.0942 5.3540 5.3540 5.8530 5.8530 6.5853 6.5853 6.9080 6.9080 6.9848 6.9848 7.0279 7.0279 7.2205 7.2205 7.5544 7.5544 7.6362 7.6362 7.6742 7.6742 7.7622 7.7622 8.3172 8.3172 8.3802 8.3802 11.4348 11.4348 12.4135 12.4135 13.3081 13.3081 13.8712 13.8712 k = 0.0000 0.0000 1.2576 ( 3820 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5837 -3.5837 -3.3694 -3.3694 -3.2561 -3.2561 3.7666 3.7666 4.1226 4.1226 5.0919 5.0919 5.3530 5.3530 5.8531 5.8531 6.5865 6.5865 6.9074 6.9074 6.9855 6.9855 7.0270 7.0270 7.2229 7.2229 7.5496 7.5496 7.6373 7.6373 7.6734 7.6734 7.7593 7.7593 8.3172 8.3172 8.3792 8.3792 11.4340 11.4340 12.4127 12.4127 13.3234 13.3234 13.9009 13.9009 k = 0.0000 0.0000 1.2576 ( 3820 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5837 -3.5837 -3.3694 -3.3694 -3.2561 -3.2561 3.7666 3.7666 4.1226 4.1226 5.0919 5.0919 5.3530 5.3530 5.8531 5.8531 6.5865 6.5865 6.9074 6.9074 6.9855 6.9855 7.0270 7.0270 7.2229 7.2229 7.5496 7.5496 7.6373 7.6373 7.6734 7.6734 7.7593 7.7593 8.3172 8.3172 8.3792 8.3792 11.4340 11.4340 12.4127 12.4127 13.3234 13.3234 13.9009 13.9009 k =-0.0078 0.0181 1.2576 ( 3816 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6467 -3.6467 -3.5739 -3.5739 -3.3702 -3.3702 -3.2554 -3.2554 3.7681 3.7681 4.1234 4.1234 5.0924 5.0924 5.3533 5.3533 5.8521 5.8521 6.5832 6.5832 6.9092 6.9092 6.9857 6.9857 7.0271 7.0271 7.2223 7.2223 7.5492 7.5492 7.6379 7.6379 7.6740 7.6740 7.7596 7.7596 8.3183 8.3183 8.3792 8.3792 11.4370 11.4370 12.4163 12.4163 13.3220 13.3220 13.9017 13.9017 k =-0.0156 0.0361 1.2576 ( 3822 PWs) bands (ev): -18.5289 -18.5289 -5.4207 -5.4207 -3.6662 -3.6662 -3.5541 -3.5541 -3.3727 -3.3727 -3.2533 -3.2533 3.7724 3.7724 4.1261 4.1261 5.0940 5.0940 5.3542 5.3542 5.8493 5.8493 6.5738 6.5738 6.9141 6.9141 6.9864 6.9864 7.0270 7.0270 7.2207 7.2207 7.5477 7.5477 7.6397 7.6397 7.6757 7.6757 7.7606 7.7606 8.3214 8.3214 8.3794 8.3794 11.4460 11.4460 12.4272 12.4272 13.3179 13.3179 13.9041 13.9041 k =-0.0235 0.0542 1.2576 ( 3820 PWs) bands (ev): -18.5292 -18.5292 -5.4207 -5.4207 -3.6881 -3.6881 -3.5318 -3.5318 -3.3767 -3.3767 -3.2496 -3.2496 3.7795 3.7795 4.1304 4.1304 5.0965 5.0965 5.3557 5.3557 5.8447 5.8447 6.5587 6.5587 6.9215 6.9215 6.9876 6.9876 7.0271 7.0271 7.2181 7.2181 7.5455 7.5455 7.6422 7.6422 7.6789 7.6789 7.7622 7.7622 8.3265 8.3265 8.3796 8.3796 11.4607 11.4607 12.4452 12.4452 13.3110 13.3110 13.9080 13.9080 k =-0.0313 0.0722 1.2576 ( 3828 PWs) bands (ev): -18.5296 -18.5296 -5.4207 -5.4207 -3.7105 -3.7105 -3.5092 -3.5092 -3.3821 -3.3821 -3.2444 -3.2444 3.7894 3.7894 4.1365 4.1365 5.1000 5.1000 5.3578 5.3578 5.8382 5.8382 6.5388 6.5388 6.9307 6.9307 6.9890 6.9890 7.0276 7.0276 7.2145 7.2145 7.5428 7.5428 7.6447 7.6447 7.6839 7.6839 7.7646 7.7646 8.3333 8.3333 8.3801 8.3801 11.4810 11.4810 12.4703 12.4703 13.3014 13.3014 13.9135 13.9135 k =-0.0391 0.0903 1.2576 ( 3828 PWs) bands (ev): -18.5301 -18.5301 -5.4207 -5.4207 -3.7328 -3.7328 -3.4875 -3.4875 -3.3886 -3.3886 -3.2373 -3.2373 3.8020 3.8020 4.1444 4.1444 5.1045 5.1045 5.3604 5.3604 5.8300 5.8300 6.5148 6.5148 6.9406 6.9406 6.9908 6.9908 7.0289 7.0289 7.2101 7.2101 7.5399 7.5399 7.6468 7.6468 7.6909 7.6909 7.7678 7.7678 8.3420 8.3420 8.3809 8.3809 11.5065 11.5065 12.5024 12.5024 13.2891 13.2891 13.9205 13.9205 k =-0.0469 0.1083 1.2576 ( 3828 PWs) bands (ev): -18.5308 -18.5308 -5.4207 -5.4207 -3.7546 -3.7546 -3.4681 -3.4681 -3.3951 -3.3951 -3.2285 -3.2285 3.8172 3.8172 4.1540 4.1540 5.1099 5.1099 5.3636 5.3636 5.8202 5.8202 6.4875 6.4875 6.9502 6.9502 6.9931 6.9931 7.0316 7.0316 7.2049 7.2049 7.5370 7.5370 7.6483 7.6483 7.6998 7.6998 7.7720 7.7720 8.3518 8.3518 8.3823 8.3823 11.5368 11.5368 12.5412 12.5412 13.2741 13.2741 13.9289 13.9289 k =-0.0469 0.1083 1.2576 ( 3828 PWs) bands (ev): -18.5308 -18.5308 -5.4207 -5.4207 -3.7546 -3.7546 -3.4681 -3.4681 -3.3951 -3.3951 -3.2285 -3.2285 3.8172 3.8172 4.1540 4.1540 5.1099 5.1099 5.3636 5.3636 5.8202 5.8202 6.4875 6.4875 6.9502 6.9502 6.9931 6.9931 7.0316 7.0316 7.2049 7.2049 7.5370 7.5370 7.6483 7.6483 7.6998 7.6998 7.7720 7.7720 8.3518 8.3518 8.3823 8.3823 11.5368 11.5368 12.5412 12.5412 13.2741 13.2741 13.9289 13.9289 k =-0.0532 0.1228 1.2417 ( 3832 PWs) bands (ev): -18.5314 -18.5314 -5.4207 -5.4207 -3.7730 -3.7730 -3.4550 -3.4550 -3.3983 -3.3983 -3.2198 -3.2198 3.8318 3.8318 4.1617 4.1617 5.1160 5.1160 5.3670 5.3670 5.8111 5.8111 6.4632 6.4632 6.9568 6.9568 6.9954 6.9954 7.0352 7.0352 7.1997 7.1997 7.5362 7.5362 7.6484 7.6484 7.7091 7.7091 7.7773 7.7773 8.3599 8.3599 8.3850 8.3850 11.5645 11.5645 12.5776 12.5776 13.2535 13.2535 13.9205 13.9205 k =-0.0595 0.1374 1.2259 ( 3833 PWs) bands (ev): -18.5322 -18.5322 -5.4207 -5.4207 -3.7930 -3.7930 -3.4471 -3.4471 -3.3961 -3.3961 -3.2095 -3.2095 3.8490 3.8490 4.1682 4.1682 5.1247 5.1247 5.3717 5.3717 5.8011 5.8011 6.4368 6.4368 6.9617 6.9617 6.9993 6.9993 7.0401 7.0401 7.1932 7.1932 7.5376 7.5376 7.6473 7.6473 7.7211 7.7211 7.7852 7.7852 8.3674 8.3674 8.3906 8.3906 11.5951 11.5951 12.6188 12.6188 13.2190 13.2190 13.8894 13.8894 k =-0.0658 0.1519 1.2101 ( 3837 PWs) bands (ev): -18.5331 -18.5331 -5.4209 -5.4209 -3.8138 -3.8138 -3.4473 -3.4473 -3.3863 -3.3863 -3.1977 -3.1977 3.8687 3.8687 4.1734 4.1734 5.1360 5.1360 5.3776 5.3776 5.7904 5.7904 6.4090 6.4090 6.9645 6.9645 7.0049 7.0049 7.0460 7.0460 7.1865 7.1865 7.5403 7.5403 7.6454 7.6454 7.7356 7.7356 7.7953 7.7953 8.3738 8.3738 8.3998 8.3998 11.6277 11.6277 12.6645 12.6645 13.1733 13.1733 13.8456 13.8456 k =-0.0721 0.1664 1.1943 ( 3835 PWs) bands (ev): -18.5342 -18.5342 -5.4211 -5.4211 -3.8350 -3.8350 -3.4530 -3.4530 -3.3719 -3.3719 -3.1841 -3.1841 3.8906 3.8906 4.1772 4.1772 5.1496 5.1496 5.3847 5.3847 5.7792 5.7792 6.3801 6.3801 6.9656 6.9656 7.0119 7.0119 7.0527 7.0527 7.1804 7.1804 7.5434 7.5434 7.6431 7.6431 7.7526 7.7526 7.8073 7.8073 8.3799 8.3799 8.4121 8.4121 11.6617 11.6617 12.7145 12.7145 13.1193 13.1193 13.7943 13.7943 k =-0.0784 0.1809 1.1784 ( 3835 PWs) bands (ev): -18.5353 -18.5353 -5.4215 -5.4215 -3.8563 -3.8563 -3.4615 -3.4615 -3.3560 -3.3560 -3.1689 -3.1689 3.9146 3.9146 4.1798 4.1798 5.1654 5.1654 5.3930 5.3930 5.7676 5.7676 6.3505 6.3505 6.9660 6.9660 7.0193 7.0193 7.0601 7.0601 7.1757 7.1757 7.5463 7.5463 7.6406 7.6406 7.7717 7.7717 7.8207 7.8207 8.3865 8.3865 8.4268 8.4268 11.6958 11.6958 12.7683 12.7683 13.0598 13.0598 13.7394 13.7394 k =-0.0847 0.1955 1.1626 ( 3839 PWs) bands (ev): -18.5366 -18.5366 -5.4221 -5.4221 -3.8773 -3.8773 -3.4713 -3.4713 -3.3402 -3.3402 -3.1521 -3.1521 3.9404 3.9404 4.1811 4.1811 5.1831 5.1831 5.4023 5.4023 5.7558 5.7558 6.3206 6.3206 6.9662 6.9662 7.0262 7.0262 7.0678 7.0678 7.1730 7.1730 7.5488 7.5488 7.6380 7.6380 7.7926 7.7926 7.8356 7.8356 8.3940 8.3940 8.4434 8.4434 11.7287 11.7287 12.8247 12.8247 12.9977 12.9977 13.6833 13.6833 k =-0.0910 0.2100 1.1468 ( 3839 PWs) bands (ev): -18.5380 -18.5380 -5.4229 -5.4229 -3.8979 -3.8979 -3.4820 -3.4820 -3.3250 -3.3250 -3.1338 -3.1338 3.9678 3.9678 4.1812 4.1812 5.2023 5.2023 5.4125 5.4125 5.7442 5.7442 6.2908 6.2908 6.9666 6.9666 7.0322 7.0322 7.0760 7.0760 7.1729 7.1729 7.5505 7.5505 7.6355 7.6355 7.8147 7.8147 7.8518 7.8518 8.4030 8.4030 8.4618 8.4618 11.7584 11.7584 12.8790 12.8790 12.9394 12.9394 13.6282 13.6282 k =-0.0973 0.2245 1.1310 ( 3845 PWs) bands (ev): -18.5395 -18.5395 -5.4239 -5.4239 -3.9180 -3.9180 -3.4932 -3.4932 -3.3105 -3.3105 -3.1142 -3.1142 3.9963 3.9963 4.1802 4.1802 5.2227 5.2227 5.4238 5.4238 5.7329 5.7329 6.2615 6.2615 6.9675 6.9675 7.0368 7.0368 7.0846 7.0846 7.1757 7.1757 7.5515 7.5515 7.6329 7.6329 7.8372 7.8372 7.8698 7.8698 8.4135 8.4135 8.4817 8.4817 11.7828 11.7828 12.8646 12.8646 12.9526 12.9526 13.5764 13.5764 k =-0.1036 0.2390 1.1151 ( 3843 PWs) bands (ev): -18.5411 -18.5411 -5.4252 -5.4252 -3.9374 -3.9374 -3.5047 -3.5047 -3.2967 -3.2967 -3.0937 -3.0937 4.0258 4.0258 4.1782 4.1782 5.2440 5.2440 5.4358 5.4358 5.7222 5.7222 6.2329 6.2329 6.9690 6.9690 7.0400 7.0400 7.0937 7.0937 7.1815 7.1815 7.5519 7.5519 7.6303 7.6303 7.8590 7.8590 7.8904 7.8904 8.4258 8.4258 8.5033 8.5033 11.7989 11.7989 12.8102 12.8102 13.0086 13.0086 13.5306 13.5306 k =-0.1099 0.2535 1.0993 ( 3843 PWs) bands (ev): -18.5428 -18.5428 -5.4267 -5.4267 -3.9561 -3.9561 -3.5165 -3.5165 -3.2836 -3.2836 -3.0724 -3.0724 4.0559 4.0559 4.1752 4.1752 5.2659 5.2659 5.4485 5.4485 5.7125 5.7125 6.2053 6.2053 6.9712 6.9712 7.0418 7.0418 7.1033 7.1033 7.1897 7.1897 7.5515 7.5515 7.6276 7.6276 7.8790 7.8790 7.9144 7.9144 8.4399 8.4399 8.5263 8.5263 11.8039 11.8039 12.7607 12.7607 13.0600 13.0600 13.4955 13.4955 k =-0.1162 0.2681 1.0835 ( 3841 PWs) bands (ev): -18.5445 -18.5445 -5.4286 -5.4286 -3.9740 -3.9740 -3.5284 -3.5284 -3.2709 -3.2709 -3.0507 -3.0507 4.0860 4.0860 4.1715 4.1715 5.2881 5.2881 5.4619 5.4619 5.7039 5.7039 6.1790 6.1790 6.9741 6.9741 7.0428 7.0428 7.1135 7.1135 7.2001 7.2001 7.5506 7.5506 7.6248 7.6248 7.8974 7.8974 7.9416 7.9416 8.4560 8.4560 8.5507 8.5507 11.7949 11.7949 12.7200 12.7200 13.0974 13.0974 13.4786 13.4786 k =-0.1224 0.2826 1.0677 ( 3840 PWs) bands (ev): -18.5463 -18.5463 -5.4307 -5.4307 -3.9911 -3.9911 -3.5403 -3.5403 -3.2586 -3.2586 -3.0288 -3.0288 4.1153 4.1153 4.1677 4.1677 5.3102 5.3102 5.4758 5.4758 5.6967 5.6967 6.1542 6.1542 6.9777 6.9777 7.0432 7.0432 7.1241 7.1241 7.2121 7.2121 7.5491 7.5491 7.6218 7.6218 7.9147 7.9147 7.9714 7.9714 8.4738 8.4738 8.5764 8.5764 11.7703 11.7703 12.6892 12.6892 13.1115 13.1115 13.4876 13.4876 k =-0.1287 0.2971 1.0518 ( 3836 PWs) bands (ev): -18.5481 -18.5481 -5.4332 -5.4332 -4.0074 -4.0074 -3.5523 -3.5523 -3.2465 -3.2465 -3.0069 -3.0069 4.1401 4.1401 4.1671 4.1671 5.3321 5.3321 5.4900 5.4900 5.6912 5.6912 6.1311 6.1311 6.9821 6.9821 7.0435 7.0435 7.1353 7.1353 7.2252 7.2252 7.5470 7.5470 7.6186 7.6186 7.9315 7.9315 8.0034 8.0034 8.4935 8.4935 8.6034 8.6034 11.7302 11.7302 12.6671 12.6671 13.1005 13.1005 13.5222 13.5222 k =-0.1350 0.3116 1.0360 ( 3836 PWs) bands (ev): -18.5500 -18.5500 -5.4360 -5.4360 -4.0228 -4.0228 -3.5642 -3.5642 -3.2345 -3.2345 -2.9852 -2.9852 4.1462 4.1462 4.1837 4.1837 5.3535 5.3535 5.5046 5.5046 5.6875 5.6875 6.1097 6.1097 6.9872 6.9872 7.0438 7.0438 7.1468 7.1468 7.2390 7.2390 7.5444 7.5444 7.6150 7.6150 7.9479 7.9479 8.0377 8.0377 8.5147 8.5147 8.6313 8.6313 11.6762 11.6762 12.6508 12.6508 13.0707 13.0707 13.5199 13.5199 k =-0.1413 0.3262 1.0202 ( 3832 PWs) bands (ev): -18.5519 -18.5519 -5.4391 -5.4391 -4.0373 -4.0373 -3.5759 -3.5759 -3.2226 -3.2226 -2.9638 -2.9638 4.1408 4.1408 4.2100 4.2100 5.3742 5.3742 5.5193 5.5193 5.6859 5.6859 6.0903 6.0903 6.9928 6.9928 7.0445 7.0445 7.1588 7.1588 7.2533 7.2533 7.5412 7.5412 7.6112 7.6112 7.9643 7.9643 8.0741 8.0741 8.5373 8.5373 8.6601 8.6601 11.6111 11.6111 12.6367 12.6367 13.0293 13.0293 13.5028 13.5028 k =-0.1476 0.3407 1.0044 ( 3834 PWs) bands (ev): -18.5538 -18.5538 -5.4425 -5.4425 -4.0511 -4.0511 -3.5874 -3.5874 -3.2108 -3.2108 -2.9429 -2.9429 4.1329 4.1329 4.2367 4.2367 5.3939 5.3939 5.5342 5.5342 5.6864 5.6864 6.0727 6.0727 6.9988 6.9988 7.0458 7.0458 7.1711 7.1711 7.2677 7.2677 7.5375 7.5375 7.6069 7.6069 7.9807 7.9807 8.1130 8.1130 8.5609 8.5609 8.6897 8.6897 11.5380 11.5380 12.6218 12.6218 12.9804 12.9804 13.5003 13.5003 k =-0.1539 0.3552 0.9885 ( 3836 PWs) bands (ev): -18.5557 -18.5557 -5.4461 -5.4461 -4.0640 -4.0640 -3.5987 -3.5987 -3.1990 -3.1990 -2.9224 -2.9224 4.1238 4.1238 4.2624 4.2624 5.4126 5.4126 5.5492 5.5492 5.6890 5.6890 6.0570 6.0570 7.0052 7.0052 7.0479 7.0479 7.1836 7.1836 7.2821 7.2821 7.5333 7.5333 7.6023 7.6023 7.9975 7.9975 8.1543 8.1543 8.5851 8.5851 8.7198 8.7198 11.4596 11.4596 12.6040 12.6040 12.9257 12.9257 13.5127 13.5127 k =-0.1602 0.3697 0.9727 ( 3830 PWs) bands (ev): -18.5576 -18.5576 -5.4499 -5.4499 -4.0761 -4.0761 -3.6096 -3.6096 -3.1872 -3.1872 -2.9027 -2.9027 4.1138 4.1138 4.2866 4.2866 5.4301 5.4301 5.5645 5.5645 5.6936 5.6936 6.0432 6.0432 7.0117 7.0117 7.0508 7.0508 7.1963 7.1963 7.2962 7.2962 7.5287 7.5287 7.5974 7.5974 8.0148 8.0148 8.1984 8.1984 8.6096 8.6096 8.7503 8.7503 11.3785 11.3785 12.5829 12.5829 12.8656 12.8656 13.5383 13.5383 k =-0.1665 0.3842 0.9569 ( 3829 PWs) bands (ev): -18.5595 -18.5595 -5.4539 -5.4539 -4.0874 -4.0874 -3.6202 -3.6202 -3.1756 -3.1756 -2.8836 -2.8836 4.1031 4.1031 4.3090 4.3090 5.4463 5.4463 5.5801 5.5801 5.7000 5.7000 6.0310 6.0310 7.0180 7.0180 7.0550 7.0550 7.2090 7.2090 7.3099 7.3099 7.5238 7.5238 7.5921 7.5921 8.0327 8.0327 8.2453 8.2453 8.6338 8.6338 8.7810 8.7810 11.2964 11.2964 12.5594 12.5594 12.7995 12.7995 13.5743 13.5743 k =-0.1728 0.3988 0.9410 ( 3827 PWs) bands (ev): -18.5614 -18.5614 -5.4581 -5.4581 -4.0980 -4.0980 -3.6303 -3.6303 -3.1640 -3.1640 -2.8653 -2.8653 4.0918 4.0918 4.3295 4.3295 5.4612 5.4612 5.5963 5.5963 5.7079 5.7079 6.0204 6.0204 7.0240 7.0240 7.0604 7.0604 7.2216 7.2216 7.3230 7.3230 7.5185 7.5185 7.5864 7.5864 8.0515 8.0515 8.2952 8.2952 8.6570 8.6570 8.8118 8.8118 11.2149 11.2149 12.5346 12.5346 12.7268 12.7268 13.6112 13.6112 k =-0.1791 0.4133 0.9252 ( 3825 PWs) bands (ev): -18.5631 -18.5631 -5.4623 -5.4623 -4.1078 -4.1078 -3.6400 -3.6400 -3.1526 -3.1526 -2.8478 -2.8478 4.0800 4.0800 4.3480 4.3480 5.4748 5.4748 5.6130 5.6130 5.7170 5.7170 6.0112 6.0112 7.0295 7.0295 7.0671 7.0671 7.2340 7.2340 7.3355 7.3355 7.5130 7.5130 7.5803 7.5803 8.0713 8.0713 8.3480 8.3480 8.6789 8.6789 8.8425 8.8425 11.1353 11.1353 12.5102 12.5102 12.6465 12.6465 13.5651 13.5651 k =-0.1854 0.4278 0.9094 ( 3820 PWs) bands (ev): -18.5649 -18.5649 -5.4666 -5.4666 -4.1169 -4.1169 -3.6492 -3.6492 -3.1415 -3.1415 -2.8312 -2.8312 4.0679 4.0679 4.3645 4.3645 5.4873 5.4873 5.6303 5.6303 5.7270 5.7270 6.0031 6.0031 7.0345 7.0345 7.0750 7.0750 7.2460 7.2460 7.3472 7.3472 7.5073 7.5073 7.5739 7.5739 8.0922 8.0922 8.4036 8.4036 8.6988 8.6988 8.8729 8.8729 11.0585 11.0585 12.4876 12.4876 12.5583 12.5583 13.4966 13.4966 k =-0.1917 0.4423 0.8936 ( 3820 PWs) bands (ev): -18.5666 -18.5666 -5.4708 -5.4708 -4.1254 -4.1254 -3.6579 -3.6579 -3.1307 -3.1307 -2.8154 -2.8154 4.0557 4.0557 4.3790 4.3790 5.4985 5.4985 5.6482 5.6482 5.7374 5.7374 5.9959 5.9959 7.0392 7.0392 7.0838 7.0838 7.2575 7.2575 7.3580 7.3580 7.5017 7.5017 7.5672 7.5672 8.1144 8.1144 8.4619 8.4619 8.7162 8.7162 8.9030 8.9030 10.9852 10.9852 12.4615 12.4615 12.4690 12.4690 13.4318 13.4318 k =-0.1980 0.4569 0.8777 ( 3817 PWs) bands (ev): -18.5681 -18.5681 -5.4750 -5.4750 -4.1331 -4.1331 -3.6661 -3.6661 -3.1202 -3.1202 -2.8007 -2.8007 4.0435 4.0435 4.3916 4.3916 5.5089 5.5089 5.6665 5.6665 5.7481 5.7481 5.9894 5.9894 7.0436 7.0436 7.0933 7.0933 7.2684 7.2684 7.3679 7.3679 7.4961 7.4961 7.5602 7.5602 8.1380 8.1380 8.5223 8.5223 8.7305 8.7305 8.9327 8.9327 10.9161 10.9161 12.3593 12.3593 12.4532 12.4532 13.3742 13.3742 k =-0.2043 0.4714 0.8619 ( 3817 PWs) bands (ev): -18.5696 -18.5696 -5.4791 -5.4791 -4.1402 -4.1402 -3.6737 -3.6737 -3.1102 -3.1102 -2.7869 -2.7869 4.0314 4.0314 4.4025 4.4025 5.5183 5.5183 5.6850 5.6850 5.7588 5.7588 5.9833 5.9833 7.0479 7.0479 7.1032 7.1032 7.2785 7.2785 7.3768 7.3768 7.4908 7.4908 7.5530 7.5530 8.1630 8.1630 8.5844 8.5844 8.7415 8.7415 8.9619 8.9619 10.8516 10.8516 12.2511 12.2511 12.4432 12.4432 13.3248 13.3248 k =-0.2105 0.4859 0.8461 ( 3815 PWs) bands (ev): -18.5710 -18.5710 -5.4831 -5.4831 -4.1467 -4.1467 -3.6806 -3.6806 -3.1008 -3.1008 -2.7741 -2.7741 4.0197 4.0197 4.4116 4.4116 5.5269 5.5269 5.7035 5.7035 5.7694 5.7694 5.9773 5.9773 7.0522 7.0522 7.1133 7.1133 7.2878 7.2878 7.3847 7.3847 7.4858 7.4858 7.5457 7.5457 8.1893 8.1893 8.6472 8.6472 8.7488 8.7488 8.9908 8.9908 10.7920 10.7920 12.1396 12.1396 12.4391 12.4391 13.2836 13.2836 k =-0.2168 0.5004 0.8303 ( 3822 PWs) bands (ev): -18.5723 -18.5723 -5.4868 -5.4868 -4.1525 -4.1525 -3.6870 -3.6870 -3.0920 -3.0920 -2.7625 -2.7625 4.0084 4.0084 4.4193 4.4193 5.5347 5.5347 5.7216 5.7216 5.7798 5.7798 5.9713 5.9713 7.0563 7.0563 7.1233 7.1233 7.2961 7.2961 7.3913 7.3913 7.4813 7.4813 7.5384 7.5384 8.2168 8.2168 8.7092 8.7092 8.7525 8.7525 9.0195 9.0195 10.7377 10.7377 12.0271 12.0271 12.4415 12.4415 13.2497 13.2497 k =-0.2231 0.5149 0.8144 ( 3821 PWs) bands (ev): -18.5735 -18.5735 -5.4902 -5.4902 -4.1577 -4.1577 -3.6927 -3.6927 -3.0839 -3.0839 -2.7519 -2.7519 3.9979 3.9979 4.4256 4.4256 5.5418 5.5418 5.7391 5.7391 5.7903 5.7903 5.9652 5.9652 7.0602 7.0602 7.1332 7.1332 7.3033 7.3033 7.3969 7.3969 7.4775 7.4775 7.5313 7.5313 8.2452 8.2452 8.7493 8.7493 8.7725 8.7725 9.0483 9.0483 10.6887 10.6887 11.9159 11.9159 12.4506 12.4506 13.2222 13.2222 k =-0.2294 0.5295 0.7986 ( 3823 PWs) bands (ev): -18.5746 -18.5746 -5.4934 -5.4934 -4.1622 -4.1622 -3.6978 -3.6978 -3.0766 -3.0766 -2.7424 -2.7424 3.9881 3.9881 4.4307 4.4307 5.5481 5.5481 5.7552 5.7552 5.8008 5.8008 5.9585 5.9585 7.0640 7.0640 7.1426 7.1426 7.3096 7.3096 7.4013 7.4013 7.4743 7.4743 7.5245 7.5245 8.2744 8.2744 8.7460 8.7460 8.8283 8.8283 9.0778 9.0778 10.6453 10.6453 11.8084 11.8084 12.4665 12.4665 13.2003 13.2003 k =-0.2357 0.5440 0.7828 ( 3827 PWs) bands (ev): -18.5755 -18.5755 -5.4962 -5.4962 -4.1662 -4.1662 -3.7023 -3.7023 -3.0701 -3.0701 -2.7342 -2.7342 3.9793 3.9793 4.4348 4.4348 5.5537 5.5537 5.7696 5.7696 5.8119 5.8119 5.9513 5.9513 7.0675 7.0675 7.1514 7.1514 7.3148 7.3148 7.4046 7.4046 7.4719 7.4719 7.5181 7.5181 8.3038 8.3038 8.7383 8.7383 8.8792 8.8792 9.1085 9.1085 10.6074 10.6074 11.7071 11.7071 12.4887 12.4887 13.1829 13.1829 k =-0.2420 0.5585 0.7670 ( 3828 PWs) bands (ev): -18.5763 -18.5763 -5.4986 -5.4986 -4.1696 -4.1696 -3.7060 -3.7060 -3.0645 -3.0645 -2.7271 -2.7271 3.9717 3.9717 4.4380 4.4380 5.5585 5.5585 5.7815 5.7815 5.8237 5.8237 5.9435 5.9435 7.0706 7.0706 7.1593 7.1593 7.3190 7.3190 7.4069 7.4069 7.4701 7.4701 7.5123 7.5123 8.3328 8.3328 8.7276 8.7276 8.9224 8.9224 9.1403 9.1403 10.5753 10.5753 11.6147 11.6147 12.5166 12.5166 13.1693 13.1693 k =-0.2483 0.5730 0.7511 ( 3824 PWs) bands (ev): -18.5770 -18.5770 -5.5007 -5.5007 -4.1723 -4.1723 -3.7091 -3.7091 -3.0599 -3.0599 -2.7213 -2.7213 3.9652 3.9652 4.4404 4.4404 5.5625 5.5625 5.7907 5.7907 5.8365 5.8365 5.9351 5.9351 7.0734 7.0734 7.1662 7.1662 7.3223 7.3223 7.4084 7.4084 7.4689 7.4689 7.5075 7.5075 8.3603 8.3603 8.7150 8.7150 8.9568 8.9568 9.1723 9.1723 10.5490 10.5490 11.5337 11.5337 12.5486 12.5486 13.1587 13.1587 k =-0.2546 0.5876 0.7353 ( 3820 PWs) bands (ev): -18.5775 -18.5775 -5.5023 -5.5023 -4.1744 -4.1744 -3.7115 -3.7115 -3.0562 -3.0562 -2.7167 -2.7167 3.9601 3.9601 4.4422 4.4422 5.5657 5.5657 5.7974 5.7974 5.8498 5.8498 5.9258 5.9258 7.0756 7.0756 7.1718 7.1718 7.3248 7.3248 7.4094 7.4094 7.4680 7.4680 7.5036 7.5036 8.3852 8.3852 8.7017 8.7017 8.9820 8.9820 9.2020 9.2020 10.5284 10.5284 11.4668 11.4668 12.5824 12.5824 13.1503 13.1503 k =-0.2609 0.6021 0.7195 ( 3824 PWs) bands (ev): -18.5779 -18.5779 -5.5035 -5.5035 -4.1760 -4.1760 -3.7132 -3.7132 -3.0536 -3.0536 -2.7134 -2.7134 3.9564 3.9564 4.4434 4.4434 5.5679 5.5679 5.8020 5.8020 5.8628 5.8628 5.9160 5.9160 7.0772 7.0772 7.1760 7.1760 7.3264 7.3264 7.4100 7.4100 7.4673 7.4673 7.5008 7.5008 8.4055 8.4055 8.6896 8.6896 8.9992 8.9992 9.2264 9.2264 10.5137 10.5137 11.4168 11.4168 12.6138 12.6138 13.1429 13.1429 k =-0.2672 0.6166 0.7036 ( 3830 PWs) bands (ev): -18.5781 -18.5781 -5.5042 -5.5042 -4.1769 -4.1769 -3.7143 -3.7143 -3.0520 -3.0520 -2.7115 -2.7115 3.9542 3.9542 4.4441 4.4441 5.5693 5.5693 5.8046 5.8046 5.8747 5.8747 5.9062 5.9062 7.0782 7.0782 7.1785 7.1785 7.3273 7.3273 7.4103 7.4103 7.4670 7.4670 7.4992 7.4992 8.4191 8.4191 8.6809 8.6809 9.0090 9.0090 9.2424 9.2424 10.5048 10.5048 11.3857 11.3857 12.6371 12.6371 13.1357 13.1357 k =-0.2735 0.6311 0.6878 ( 3826 PWs) bands (ev): -18.5782 -18.5782 -5.5044 -5.5044 -4.1772 -4.1772 -3.7146 -3.7146 -3.0515 -3.0515 -2.7108 -2.7108 3.9534 3.9534 4.4443 4.4443 5.5697 5.5697 5.8054 5.8054 5.8811 5.8811 5.9005 5.9005 7.0785 7.0785 7.1794 7.1794 7.3276 7.3276 7.4104 7.4104 7.4668 7.4668 7.4986 7.4986 8.4239 8.4239 8.6777 8.6777 9.0122 9.0122 9.2480 9.2480 10.5019 10.5019 11.3752 11.3752 12.6459 12.6459 13.1320 13.1320 k =-0.2735 0.6311 0.6878 ( 3826 PWs) bands (ev): -18.5782 -18.5782 -5.5044 -5.5044 -4.1772 -4.1772 -3.7146 -3.7146 -3.0515 -3.0515 -2.7108 -2.7108 3.9534 3.9534 4.4443 4.4443 5.5697 5.5697 5.8054 5.8054 5.8811 5.8811 5.9005 5.9005 7.0785 7.0785 7.1794 7.1794 7.3276 7.3276 7.4104 7.4104 7.4668 7.4668 7.4986 7.4986 8.4239 8.4239 8.6777 8.6777 9.0122 9.0122 9.2480 9.2480 10.5019 10.5019 11.3752 11.3752 12.6459 12.6459 13.1320 13.1320 k =-0.2671 0.6164 0.6718 ( 3834 PWs) bands (ev): -18.5776 -18.5776 -5.5083 -5.5083 -4.1742 -4.1742 -3.6998 -3.6998 -3.0619 -3.0619 -2.7159 -2.7159 3.9401 3.9401 4.4578 4.4578 5.5495 5.5495 5.7964 5.7964 5.8915 5.8915 5.9076 5.9076 7.0942 7.0942 7.1761 7.1761 7.3256 7.3256 7.3969 7.3969 7.4583 7.4583 7.4948 7.4948 8.4064 8.4064 8.6890 8.6890 9.0159 9.0159 9.2222 9.2222 10.5422 10.5422 11.3916 11.3916 12.7008 12.7008 13.1415 13.1415 k =-0.2608 0.6018 0.6558 ( 3834 PWs) bands (ev): -18.5773 -18.5773 -5.5112 -5.5112 -4.1730 -4.1730 -3.6845 -3.6845 -3.0710 -3.0710 -2.7221 -2.7221 3.9309 3.9309 4.4735 4.4735 5.5262 5.5262 5.7877 5.7877 5.9015 5.9015 5.9144 5.9144 7.1084 7.1084 7.1707 7.1707 7.3271 7.3271 7.3850 7.3850 7.4508 7.4508 7.4927 7.4927 8.3887 8.3887 8.7009 8.7009 9.0201 9.0201 9.1951 9.1951 10.5865 10.5865 11.4121 11.4121 12.7539 12.7539 13.1533 13.1533 k =-0.2544 0.5871 0.6398 ( 3840 PWs) bands (ev): -18.5771 -18.5771 -5.5131 -5.5131 -4.1737 -4.1737 -3.6691 -3.6691 -3.0785 -3.0785 -2.7294 -2.7294 3.9256 3.9256 4.4912 4.4912 5.4998 5.4998 5.7793 5.7793 5.9105 5.9105 5.9213 5.9213 7.1207 7.1207 7.1633 7.1633 7.3321 7.3321 7.3752 7.3752 7.4443 7.4443 7.4920 7.4920 8.3712 8.3712 8.7137 8.7137 9.0249 9.0249 9.1666 9.1666 10.6343 10.6343 11.4364 11.4364 12.8045 12.8045 13.1691 13.1691 k =-0.2480 0.5724 0.6238 ( 3848 PWs) bands (ev): -18.5770 -18.5770 -5.5140 -5.5140 -4.1760 -4.1760 -3.6542 -3.6542 -3.0839 -3.0839 -2.7376 -2.7376 3.9242 3.9242 4.5111 4.5111 5.4706 5.4706 5.7713 5.7713 5.9179 5.9179 5.9289 5.9289 7.1300 7.1300 7.1550 7.1550 7.3404 7.3404 7.3678 7.3678 7.4390 7.4390 7.4928 7.4928 8.3544 8.3544 8.7273 8.7273 9.0303 9.0303 9.1369 9.1369 10.6846 10.6846 11.4643 11.4643 12.8519 12.8519 13.1896 13.1896 k =-0.2417 0.5577 0.6078 ( 3850 PWs) bands (ev): -18.5772 -18.5772 -5.5138 -5.5138 -4.1798 -4.1798 -3.6402 -3.6402 -3.0871 -3.0871 -2.7469 -2.7469 3.9265 3.9265 4.5330 4.5330 5.4388 5.4388 5.7639 5.7639 5.9232 5.9232 5.9374 5.9374 7.1308 7.1308 7.1514 7.1514 7.3513 7.3513 7.3632 7.3632 7.4350 7.4350 7.4950 7.4950 8.3386 8.3386 8.7419 8.7419 9.0362 9.0362 9.1064 9.1064 10.7368 10.7368 11.4956 11.4956 12.8956 12.8956 13.2147 13.2147 k =-0.2353 0.5431 0.5918 ( 3846 PWs) bands (ev): -18.5775 -18.5775 -5.5126 -5.5126 -4.1851 -4.1851 -3.6276 -3.6276 -3.0878 -3.0878 -2.7570 -2.7570 3.9324 3.9324 4.5571 4.5571 5.4047 5.4047 5.7570 5.7570 5.9268 5.9268 5.9464 5.9464 7.1201 7.1201 7.1562 7.1562 7.3591 7.3591 7.3668 7.3668 7.4323 7.4323 7.4989 7.4989 8.3240 8.3240 8.7573 8.7573 9.0420 9.0420 9.0757 9.0757 10.7902 10.7902 11.5301 11.5301 12.9346 12.9346 13.2445 13.2445 k =-0.2290 0.5284 0.5758 ( 3838 PWs) bands (ev): -18.5780 -18.5780 -5.5103 -5.5103 -4.1916 -4.1916 -3.6169 -3.6169 -3.0856 -3.0856 -2.7678 -2.7678 3.9416 3.9416 4.5834 4.5834 5.3689 5.3689 5.7506 5.7506 5.9292 5.9292 5.9554 5.9554 7.1049 7.1049 7.1627 7.1627 7.3599 7.3599 7.3815 7.3815 7.4308 7.4308 7.5042 7.5042 8.3109 8.3109 8.7738 8.7738 9.0368 9.0368 9.0560 9.0560 10.8439 10.8439 11.5674 11.5674 12.9680 12.9680 13.2786 13.2786 k =-0.2226 0.5137 0.5599 ( 3832 PWs) bands (ev): -18.5786 -18.5786 -5.5070 -5.5070 -4.1992 -4.1992 -3.6085 -3.6085 -3.0804 -3.0804 -2.7793 -2.7793 3.9538 3.9538 4.6117 4.6117 5.3318 5.3318 5.7446 5.7446 5.9303 5.9303 5.9644 5.9644 7.0879 7.0879 7.1688 7.1688 7.3624 7.3624 7.3980 7.3980 7.4308 7.4308 7.5111 7.5111 8.2995 8.2995 8.7912 8.7912 9.0067 9.0067 9.0612 9.0612 10.8972 10.8972 11.6072 11.6072 12.9951 12.9951 13.3170 13.3170 k =-0.2162 0.4990 0.5439 ( 3836 PWs) bands (ev): -18.5794 -18.5794 -5.5027 -5.5027 -4.2077 -4.2077 -3.6026 -3.6026 -3.0721 -3.0721 -2.7913 -2.7913 3.9686 3.9686 4.6420 4.6420 5.2939 5.2939 5.7392 5.7392 5.9304 5.9304 5.9731 5.9731 7.0697 7.0697 7.1745 7.1745 7.3666 7.3666 7.4146 7.4146 7.4328 7.4328 7.5194 7.5194 8.2899 8.2899 8.8096 8.8096 8.9736 8.9736 9.0699 9.0699 10.9493 10.9493 11.6492 11.6492 13.0149 13.0149 13.3594 13.3594 k =-0.2099 0.4843 0.5279 ( 3840 PWs) bands (ev): -18.5804 -18.5804 -5.4975 -5.4975 -4.2169 -4.2169 -3.5994 -3.5994 -3.0608 -3.0608 -2.8037 -2.8037 3.9856 3.9856 4.6744 4.6744 5.2559 5.2559 5.7343 5.7343 5.9295 5.9295 5.9815 5.9815 7.0507 7.0507 7.1799 7.1799 7.3722 7.3722 7.4272 7.4272 7.4406 7.4406 7.5291 7.5291 8.2822 8.2822 8.8288 8.8288 8.9400 8.9400 9.0797 9.0797 10.9992 10.9992 11.6931 11.6931 13.0267 13.0267 13.4055 13.4055 k =-0.2035 0.4697 0.5119 ( 3844 PWs) bands (ev): -18.5815 -18.5815 -5.4914 -5.4914 -4.2268 -4.2268 -3.5988 -3.5988 -3.0467 -3.0467 -2.8164 -2.8164 4.0042 4.0042 4.7087 4.7087 5.2184 5.2184 5.7298 5.7298 5.9275 5.9275 5.9896 5.9896 7.0312 7.0312 7.1850 7.1850 7.3790 7.3790 7.4331 7.4331 7.4567 7.4567 7.5403 7.5403 8.2765 8.2765 8.8484 8.8484 8.9068 8.9068 9.0906 9.0906 11.0461 11.0461 11.7385 11.7385 13.0301 13.0301 13.4552 13.4552 k =-0.1972 0.4550 0.4959 ( 3844 PWs) bands (ev): -18.5827 -18.5827 -5.4844 -5.4844 -4.2372 -4.2372 -3.6008 -3.6008 -3.0299 -3.0299 -2.8293 -2.8293 4.0238 4.0238 4.7449 4.7449 5.1823 5.1823 5.7258 5.7258 5.9246 5.9246 5.9974 5.9974 7.0113 7.0113 7.1902 7.1902 7.3865 7.3865 7.4382 7.4382 7.4751 7.4751 7.5528 7.5528 8.2731 8.2731 8.8612 8.8612 8.8813 8.8813 9.1025 9.1025 11.0888 11.0888 11.7850 11.7850 13.0249 13.0249 13.5080 13.5080 k =-0.1908 0.4403 0.4799 ( 3832 PWs) bands (ev): -18.5841 -18.5841 -5.4767 -5.4767 -4.2478 -4.2478 -3.6051 -3.6051 -3.0110 -3.0110 -2.8422 -2.8422 4.0435 4.0435 4.7828 4.7828 5.1485 5.1485 5.7222 5.7222 5.9208 5.9208 6.0049 6.0049 6.9915 6.9915 7.1955 7.1955 7.3943 7.3943 7.4444 7.4444 7.4937 7.4937 7.5667 7.5667 8.2719 8.2719 8.8349 8.8349 8.8959 8.8959 9.1155 9.1155 11.1264 11.1264 11.8322 11.8322 13.0114 13.0114 13.5636 13.5636 k =-0.1844 0.4256 0.4639 ( 3828 PWs) bands (ev): -18.5856 -18.5856 -5.4684 -5.4684 -4.2587 -4.2587 -3.6116 -3.6116 -2.9904 -2.9904 -2.8549 -2.8549 4.0626 4.0626 4.8222 4.8222 5.1181 5.1181 5.7190 5.7190 5.9162 5.9162 6.0121 6.0121 6.9715 6.9715 7.2009 7.2009 7.4020 7.4020 7.4520 7.4520 7.5123 7.5123 7.5817 7.5817 8.2730 8.2730 8.8019 8.8019 8.9184 8.9184 9.1296 9.1296 11.1577 11.1577 11.8797 11.8797 12.9902 12.9902 13.6216 13.6216 k =-0.1781 0.4110 0.4479 ( 3820 PWs) bands (ev): -18.5872 -18.5872 -5.4594 -5.4594 -4.2696 -4.2696 -3.6200 -3.6200 -2.9684 -2.9684 -2.8672 -2.8672 4.0801 4.0801 4.8628 4.8628 5.0924 5.0924 5.7163 5.7163 5.9109 5.9109 6.0189 6.0189 6.9516 6.9516 7.2065 7.2065 7.4092 7.4092 7.4612 7.4612 7.5305 7.5305 7.5979 7.5979 8.2766 8.2766 8.7686 8.7686 8.9422 8.9422 9.1448 9.1448 11.1816 11.1816 11.9271 11.9271 12.9623 12.9623 13.6484 13.6484 k =-0.1717 0.3963 0.4319 ( 3812 PWs) bands (ev): -18.5889 -18.5889 -5.4499 -5.4499 -4.2804 -4.2804 -3.6300 -3.6300 -2.9460 -2.9460 -2.8786 -2.8786 4.0948 4.0948 4.9037 4.9037 5.0733 5.0733 5.7139 5.7139 5.9049 5.9049 6.0254 6.0254 6.9319 6.9319 7.2122 7.2122 7.4158 7.4158 7.4721 7.4721 7.5484 7.5484 7.6150 7.6150 8.2827 8.2827 8.7358 8.7358 8.9670 8.9670 9.1611 9.1611 11.1971 11.1971 11.9740 11.9740 12.9285 12.9285 13.5337 13.5337 k =-0.1654 0.3816 0.4159 ( 3820 PWs) bands (ev): -18.5907 -18.5907 -5.4401 -5.4401 -4.2909 -4.2909 -3.6414 -3.6414 -2.9252 -2.9252 -2.8871 -2.8871 4.1058 4.1058 4.9431 4.9431 5.0633 5.0633 5.7118 5.7118 5.8983 5.8983 6.0314 6.0314 6.9123 6.9123 7.2180 7.2180 7.4216 7.4216 7.4844 7.4844 7.5658 7.5658 7.6328 7.6328 8.2914 8.2914 8.7034 8.7034 8.9925 8.9925 9.1786 9.1786 11.2032 11.2032 12.0200 12.0200 12.8896 12.8896 13.4189 13.4189 k =-0.1590 0.3669 0.3999 ( 3812 PWs) bands (ev): -18.5926 -18.5926 -5.4299 -5.4299 -4.3012 -4.3012 -3.6539 -3.6539 -2.9158 -2.9158 -2.8833 -2.8833 4.1120 4.1120 4.9770 4.9770 5.0674 5.0674 5.7101 5.7101 5.8912 5.8912 6.0372 6.0372 6.8932 6.8932 7.2239 7.2239 7.4268 7.4268 7.4980 7.4980 7.5829 7.5829 7.6513 7.6513 8.3028 8.3028 8.6718 8.6718 9.0185 9.0185 9.1972 9.1972 11.1993 11.1993 12.0650 12.0650 12.8454 12.8454 13.3066 13.3066 k =-0.1526 0.3523 0.3839 ( 3824 PWs) bands (ev): -18.5946 -18.5946 -5.4196 -5.4196 -4.3110 -4.3110 -3.6675 -3.6675 -2.9215 -2.9215 -2.8637 -2.8637 4.1128 4.1128 5.0010 5.0010 5.0905 5.0905 5.7087 5.7087 5.8838 5.8838 6.0426 6.0426 6.8744 6.8744 7.2298 7.2298 7.4315 7.4315 7.5125 7.5125 7.5996 7.5996 7.6701 7.6701 8.3169 8.3169 8.6410 8.6410 9.0450 9.0450 9.2168 9.2168 11.1849 11.1849 12.1085 12.1085 12.7950 12.7950 13.2001 13.2001 k =-0.1463 0.3376 0.3679 ( 3824 PWs) bands (ev): -18.5966 -18.5966 -5.4092 -5.4092 -4.3202 -4.3202 -3.6819 -3.6819 -2.9306 -2.9306 -2.8400 -2.8400 4.1078 4.1078 5.0190 5.0190 5.1286 5.1286 5.7075 5.7075 5.8761 5.8761 6.0477 6.0477 6.8560 6.8560 7.2357 7.2357 7.4357 7.4357 7.5280 7.5280 7.6159 7.6159 7.6892 7.6892 8.3337 8.3337 8.6112 8.6112 9.0718 9.0718 9.2375 9.2375 11.1602 11.1602 12.1504 12.1504 12.7356 12.7356 13.1036 13.1036 k =-0.1399 0.3229 0.3519 ( 3826 PWs) bands (ev): -18.5987 -18.5987 -5.3988 -5.3988 -4.3289 -4.3289 -3.6969 -3.6969 -2.9400 -2.9400 -2.8156 -2.8156 4.0971 4.0971 5.0383 5.0383 5.1740 5.1740 5.7066 5.7066 5.8682 5.8682 6.0525 6.0525 6.8380 6.8380 7.2416 7.2416 7.4395 7.4395 7.5442 7.5442 7.6320 7.6320 7.7084 7.7084 8.3533 8.3533 8.5827 8.5827 9.0988 9.0988 9.2592 9.2592 11.1255 11.1255 12.1905 12.1905 12.6638 12.6638 13.0216 13.0216 k =-0.1336 0.3082 0.3359 ( 3830 PWs) bands (ev): -18.6007 -18.6007 -5.3885 -5.3885 -4.3367 -4.3367 -3.7124 -3.7124 -2.9490 -2.9490 -2.7913 -2.7913 4.0812 4.0812 5.0621 5.0621 5.2228 5.2228 5.7061 5.7061 5.8603 5.8603 6.0569 6.0569 6.8206 6.8206 7.2472 7.2472 7.4430 7.4430 7.5609 7.5609 7.6478 7.6478 7.7276 7.7276 8.3752 8.3752 8.5559 8.5559 9.1258 9.1258 9.2817 9.2817 11.0818 11.0818 12.2289 12.2289 12.5777 12.5777 12.9564 12.9564 k =-0.1272 0.2935 0.3199 ( 3822 PWs) bands (ev): -18.6028 -18.6028 -5.3785 -5.3785 -4.3438 -4.3438 -3.7283 -3.7283 -2.9574 -2.9574 -2.7673 -2.7673 4.0608 4.0608 5.0909 5.0909 5.2734 5.2734 5.7058 5.7058 5.8525 5.8525 6.0611 6.0611 6.8038 6.8038 7.2527 7.2527 7.4461 7.4461 7.5781 7.5781 7.6635 7.6635 7.7468 7.7468 8.3986 8.3986 8.5320 8.5320 9.1528 9.1528 9.3049 9.3049 11.0302 11.0302 12.2654 12.2654 12.4790 12.4790 12.9067 12.9067 k =-0.1208 0.2789 0.3039 ( 3830 PWs) bands (ev): -18.6049 -18.6049 -5.3688 -5.3688 -4.3501 -4.3501 -3.7445 -3.7445 -2.9652 -2.9652 -2.7438 -2.7438 4.0366 4.0366 5.1241 5.1241 5.3246 5.3246 5.7058 5.7058 5.8449 5.8449 6.0650 6.0650 6.7876 6.7876 7.2579 7.2579 7.4489 7.4489 7.5957 7.5957 7.6788 7.6788 7.7657 7.7657 8.4201 8.4201 8.5142 8.5142 9.1795 9.1795 9.3286 9.3286 10.9721 10.9721 12.2997 12.2997 12.3713 12.3713 12.8689 12.8689 k =-0.1145 0.2642 0.2879 ( 3831 PWs) bands (ev): -18.6070 -18.6070 -5.3595 -5.3595 -4.3554 -4.3554 -3.7608 -3.7608 -2.9723 -2.9723 -2.7211 -2.7211 4.0096 4.0096 5.1610 5.1610 5.3760 5.3760 5.7061 5.7061 5.8377 5.8377 6.0688 6.0688 6.7720 6.7720 7.2627 7.2627 7.4513 7.4513 7.6135 7.6135 7.6939 7.6939 7.7843 7.7843 8.4304 8.4304 8.5122 8.5122 9.2059 9.2059 9.3526 9.3526 10.9088 10.9088 12.2553 12.2553 12.3347 12.3347 12.8394 12.8394 k =-0.1081 0.2495 0.2719 ( 3829 PWs) bands (ev): -18.6091 -18.6091 -5.3507 -5.3507 -4.3598 -4.3598 -3.7771 -3.7771 -2.9787 -2.9787 -2.6991 -2.6991 3.9806 3.9806 5.2006 5.2006 5.4268 5.4268 5.7068 5.7068 5.8311 5.8311 6.0723 6.0723 6.7571 6.7571 7.2672 7.2672 7.4534 7.4534 7.6317 7.6317 7.7089 7.7089 7.8028 7.8028 8.4224 8.4224 8.5333 8.5333 9.2318 9.2318 9.3767 9.3767 10.8419 10.8419 12.1376 12.1376 12.3661 12.3661 12.8157 12.8157 k =-0.1018 0.2348 0.2559 ( 3819 PWs) bands (ev): -18.6111 -18.6111 -5.3424 -5.3424 -4.3634 -4.3634 -3.7934 -3.7934 -2.9843 -2.9843 -2.6781 -2.6781 3.9504 3.9504 5.2421 5.2421 5.4764 5.4764 5.7079 5.7079 5.8255 5.8255 6.0758 6.0758 6.7430 6.7430 7.2713 7.2713 7.4552 7.4552 7.6500 7.6500 7.7237 7.7237 7.8210 7.8210 8.4051 8.4051 8.5684 8.5684 9.2571 9.2571 9.4006 9.4006 10.7727 10.7727 12.0173 12.0173 12.3966 12.3966 12.7959 12.7959 k =-0.0954 0.2202 0.2399 ( 3827 PWs) bands (ev): -18.6131 -18.6131 -5.3347 -5.3347 -4.3660 -4.3660 -3.8094 -3.8094 -2.9893 -2.9893 -2.6581 -2.6581 3.9196 3.9196 5.2846 5.2846 5.5237 5.5237 5.7097 5.7097 5.8211 5.8211 6.0792 6.0792 6.7294 6.7294 7.2750 7.2750 7.4564 7.4564 7.6682 7.6682 7.7383 7.7383 7.8388 7.8388 8.3851 8.3851 8.6110 8.6110 9.2816 9.2816 9.4241 9.4241 10.7025 10.7025 11.8956 11.8956 12.4261 12.4261 12.7788 12.7788 k =-0.0890 0.2055 0.2239 ( 3835 PWs) bands (ev): -18.6150 -18.6150 -5.3276 -5.3276 -4.3677 -4.3677 -3.8252 -3.8252 -2.9937 -2.9937 -2.6391 -2.6391 3.8888 3.8888 5.3271 5.3271 5.5673 5.5673 5.7124 5.7124 5.8188 5.8188 6.0826 6.0826 6.7167 6.7167 7.2782 7.2782 7.4573 7.4573 7.6863 7.6863 7.7528 7.7528 7.8564 7.8564 8.3647 8.3647 8.6587 8.6587 9.3051 9.3051 9.4469 9.4469 10.6322 10.6322 11.7733 11.7733 12.4545 12.4545 12.7637 12.7637 k =-0.0827 0.1908 0.2079 ( 3839 PWs) bands (ev): -18.6169 -18.6169 -5.3211 -5.3211 -4.3687 -4.3687 -3.8406 -3.8406 -2.9974 -2.9974 -2.6212 -2.6212 3.8584 3.8584 5.3692 5.3692 5.6056 5.6056 5.7165 5.7165 5.8196 5.8196 6.0862 6.0862 6.7047 6.7047 7.2811 7.2811 7.4577 7.4577 7.7040 7.7040 7.7674 7.7674 7.8737 7.8737 8.3447 8.3447 8.7110 8.7110 9.3277 9.3277 9.4689 9.4689 10.5630 10.5630 11.6510 11.6510 12.4818 12.4818 12.7501 12.7501 k =-0.0763 0.1761 0.1919 ( 3841 PWs) bands (ev): -18.6186 -18.6186 -5.3153 -5.3153 -4.3688 -4.3688 -3.8555 -3.8555 -3.0005 -3.0005 -2.6045 -2.6045 3.8290 3.8290 5.4099 5.4099 5.6362 5.6362 5.7220 5.7220 5.8253 5.8253 6.0900 6.0900 6.6935 6.6935 7.2836 7.2836 7.4577 7.4577 7.7209 7.7209 7.7821 7.7821 7.8908 7.8908 8.3254 8.3254 8.7674 8.7674 9.3492 9.3492 9.4897 9.4897 10.4954 10.4954 11.5292 11.5292 12.5080 12.5080 12.7377 12.7377 k =-0.0700 0.1614 0.1760 ( 3853 PWs) bands (ev): -18.6203 -18.6203 -5.3101 -5.3101 -4.3683 -4.3683 -3.8698 -3.8698 -3.0031 -3.0031 -2.5889 -2.5889 3.8008 3.8008 5.4486 5.4486 5.6579 5.6579 5.7281 5.7281 5.8374 5.8374 6.0942 6.0942 6.6832 6.6832 7.2858 7.2858 7.4572 7.4572 7.7368 7.7368 7.7970 7.7970 7.9076 7.9076 8.3068 8.3068 8.8276 8.8276 9.3695 9.3695 9.5092 9.5092 10.4303 10.4303 11.4085 11.4085 12.5328 12.5328 12.7262 12.7262 k =-0.0636 0.1468 0.1600 ( 3855 PWs) bands (ev): -18.6219 -18.6219 -5.3055 -5.3055 -4.3673 -4.3673 -3.8833 -3.8833 -3.0053 -3.0053 -2.5747 -2.5747 3.7741 3.7741 5.4848 5.4848 5.6719 5.6719 5.7333 5.7333 5.8560 5.8560 6.0989 6.0989 6.6737 6.6737 7.2877 7.2877 7.4563 7.4563 7.7514 7.7514 7.8122 7.8122 7.9242 7.9242 8.2892 8.2892 8.8914 8.8914 9.3886 9.3886 9.5272 9.5272 10.3680 10.3680 11.2895 11.2895 12.5555 12.5555 12.7156 12.7156 k =-0.0572 0.1321 0.1440 ( 3849 PWs) bands (ev): -18.6233 -18.6233 -5.3014 -5.3014 -4.3657 -4.3657 -3.8961 -3.8961 -3.0070 -3.0070 -2.5617 -2.5617 3.7492 3.7492 5.5177 5.5177 5.6814 5.6814 5.7364 5.7364 5.8788 5.8788 6.1044 6.1044 6.6651 6.6651 7.2894 7.2894 7.4551 7.4551 7.7645 7.7645 7.8275 7.8275 7.9406 7.9406 8.2726 8.2726 8.9583 8.9583 9.4064 9.4064 9.5437 9.5437 10.3088 10.3088 11.1729 11.1729 12.5751 12.5751 12.7057 12.7057 k =-0.0509 0.1174 0.1280 ( 3847 PWs) bands (ev): -18.6246 -18.6246 -5.2980 -5.2980 -4.3639 -4.3639 -3.9079 -3.9079 -3.0084 -3.0084 -2.5500 -2.5500 3.7264 3.7264 5.5468 5.5468 5.6889 5.6889 5.7378 5.7378 5.9027 5.9027 6.1108 6.1108 6.6573 6.6573 7.2909 7.2909 7.4536 7.4536 7.7758 7.7758 7.8427 7.8427 7.9567 7.9567 8.2569 8.2569 9.0278 9.0278 9.4231 9.4231 9.5585 9.5585 10.2528 10.2528 11.0596 11.0596 12.5898 12.5898 12.6966 12.6966 k =-0.0445 0.1027 0.1120 ( 3843 PWs) bands (ev): -18.6258 -18.6258 -5.2950 -5.2950 -4.3618 -4.3618 -3.9187 -3.9187 -3.0094 -3.0094 -2.5396 -2.5396 3.7058 3.7058 5.5714 5.5714 5.6960 5.6960 5.7381 5.7381 5.9253 5.9253 6.1181 6.1181 6.6505 6.6505 7.2922 7.2922 7.4519 7.4519 7.7856 7.7856 7.8574 7.8574 7.9723 7.9723 8.2423 8.2423 9.0988 9.0988 9.4390 9.4390 9.5714 9.5714 10.2000 10.2000 10.9509 10.9509 12.5966 12.5966 12.6886 12.6886 k =-0.0382 0.0881 0.0960 ( 3847 PWs) bands (ev): -18.6268 -18.6268 -5.2926 -5.2926 -4.3596 -4.3596 -3.9284 -3.9284 -3.0102 -3.0102 -2.5305 -2.5305 3.6877 3.6877 5.5910 5.5910 5.7036 5.7036 5.7379 5.7379 5.9450 5.9450 6.1262 6.1262 6.6444 6.6444 7.2934 7.2934 7.4501 7.4501 7.7938 7.7938 7.8712 7.8712 7.9871 7.9871 8.2290 8.2290 9.1700 9.1700 9.4547 9.4547 9.5827 9.5827 10.1501 10.1501 10.8483 10.8483 12.5922 12.5922 12.6820 12.6820 k =-0.0318 0.0734 0.0800 ( 3843 PWs) bands (ev): -18.6277 -18.6277 -5.2906 -5.2906 -4.3575 -4.3575 -3.9367 -3.9367 -3.0108 -3.0108 -2.5229 -2.5229 3.6721 3.6721 5.6057 5.6057 5.7118 5.7118 5.7375 5.7375 5.9612 5.9612 6.1348 6.1348 6.6394 6.6394 7.2944 7.2944 7.4482 7.4482 7.8006 7.8006 7.8836 7.8836 8.0010 8.0010 8.2169 8.2169 9.2389 9.2389 9.4716 9.4716 9.5921 9.5921 10.1024 10.1024 10.7539 10.7539 12.5760 12.5760 12.6770 12.6770 k =-0.0254 0.0587 0.0640 ( 3839 PWs) bands (ev): -18.6284 -18.6284 -5.2890 -5.2890 -4.3556 -4.3556 -3.9438 -3.9438 -3.0112 -3.0112 -2.5166 -2.5166 3.6591 3.6591 5.6160 5.6160 5.7199 5.7199 5.7374 5.7374 5.9737 5.9737 6.1433 6.1433 6.6352 6.6352 7.2953 7.2953 7.4466 7.4466 7.8060 7.8060 7.8943 7.8943 8.0135 8.0135 8.2065 8.2065 9.3013 9.3013 9.4921 9.4921 9.5998 9.5998 10.0565 10.0565 10.6701 10.6701 12.5525 12.5525 12.6730 12.6730 k =-0.0191 0.0440 0.0480 ( 3841 PWs) bands (ev): -18.6290 -18.6290 -5.2878 -5.2878 -4.3540 -4.3540 -3.9494 -3.9494 -3.0114 -3.0114 -2.5117 -2.5117 3.6490 3.6490 5.6228 5.6228 5.7268 5.7268 5.7379 5.7379 5.9829 5.9829 6.1509 6.1509 6.6321 6.6321 7.2960 7.2960 7.4450 7.4450 7.8102 7.8102 7.9030 7.9030 8.0240 8.0240 8.1977 8.1977 9.3510 9.3510 9.5197 9.5197 9.6059 9.6059 10.0123 10.0123 10.6002 10.6002 12.5282 12.5282 12.6698 12.6698 k =-0.0127 0.0294 0.0320 ( 3839 PWs) bands (ev): -18.6294 -18.6294 -5.2870 -5.2870 -4.3527 -4.3527 -3.9534 -3.9534 -3.0116 -3.0116 -2.5081 -2.5081 3.6416 3.6416 5.6270 5.6270 5.7308 5.7308 5.7399 5.7399 5.9890 5.9890 6.1569 6.1569 6.6297 6.6297 7.2965 7.2965 7.4439 7.4439 7.8132 7.8132 7.9094 7.9094 8.0322 8.0322 8.1911 8.1911 9.3835 9.3835 9.5541 9.5541 9.6106 9.6106 9.9714 9.9714 10.5474 10.5474 12.5081 12.5081 12.6674 12.6674 k =-0.0064 0.0147 0.0160 ( 3833 PWs) bands (ev): -18.6297 -18.6297 -5.2865 -5.2865 -4.3520 -4.3520 -3.9559 -3.9559 -3.0117 -3.0117 -2.5060 -2.5060 3.6372 3.6372 5.6292 5.6292 5.7322 5.7322 5.7423 5.7423 5.9926 5.9926 6.1608 6.1608 6.6284 6.6284 7.2968 7.2968 7.4432 7.4432 7.8150 7.8150 7.9134 7.9134 8.0373 8.0373 8.1869 8.1869 9.4002 9.4002 9.5848 9.5848 9.6146 9.6146 9.9396 9.9396 10.5144 10.5144 12.4951 12.4951 12.6660 12.6660 k = 0.0000 0.0000 0.0000 ( 3831 PWs) bands (ev): -18.6298 -18.6298 -5.2863 -5.2863 -4.3517 -4.3517 -3.9567 -3.9567 -3.0117 -3.0117 -2.5053 -2.5053 3.6358 3.6358 5.6299 5.6299 5.7325 5.7325 5.7434 5.7434 5.9937 5.9937 6.1621 6.1621 6.6279 6.6279 7.2970 7.2970 7.4429 7.4429 7.8157 7.8157 7.9147 7.9147 8.0391 8.0391 8.1855 8.1855 9.4051 9.4051 9.5965 9.5965 9.6174 9.6174 9.9268 9.9268 10.5033 10.5033 12.4906 12.4906 12.6654 12.6654 k = 0.0000 0.0000 0.0000 ( 3831 PWs) bands (ev): -18.6298 -18.6298 -5.2863 -5.2863 -4.3517 -4.3517 -3.9567 -3.9567 -3.0117 -3.0117 -2.5053 -2.5053 3.6358 3.6358 5.6299 5.6299 5.7325 5.7325 5.7434 5.7434 5.9937 5.9937 6.1621 6.1621 6.6279 6.6279 7.2970 7.2970 7.4429 7.4429 7.8157 7.8157 7.9147 7.9147 8.0391 8.0391 8.1855 8.1855 9.4051 9.4051 9.5965 9.5965 9.6174 9.6174 9.9268 9.9268 10.5033 10.5033 12.4906 12.4906 12.6654 12.6654 k = 0.0208 0.0090 0.0000 ( 3831 PWs) bands (ev): -18.6298 -18.6298 -5.2868 -5.2868 -4.3515 -4.3515 -3.9559 -3.9559 -3.0117 -3.0117 -2.5060 -2.5060 3.6382 3.6382 5.6289 5.6289 5.7309 5.7309 5.7427 5.7427 5.9944 5.9944 6.1628 6.1628 6.6279 6.6279 7.2974 7.2974 7.4426 7.4426 7.8157 7.8157 7.9150 7.9150 8.0394 8.0394 8.1854 8.1854 9.4016 9.4016 9.5960 9.5960 9.6068 9.6068 9.9274 9.9274 10.5165 10.5165 12.4929 12.4929 12.6206 12.6206 k = 0.0417 0.0181 0.0000 ( 3835 PWs) bands (ev): -18.6298 -18.6298 -5.2881 -5.2881 -4.3509 -4.3509 -3.9535 -3.9535 -3.0117 -3.0117 -2.5081 -2.5081 3.6453 3.6453 5.6258 5.6258 5.7263 5.7263 5.7407 5.7407 5.9963 5.9963 6.1650 6.1650 6.6280 6.6280 7.2987 7.2987 7.4417 7.4417 7.8159 7.8159 7.9161 7.9161 8.0405 8.0405 8.1853 8.1853 9.3894 9.3894 9.5788 9.5788 9.5944 9.5944 9.9291 9.9291 10.5538 10.5538 12.4996 12.4996 12.5417 12.5417 k = 0.0625 0.0271 0.0000 ( 3831 PWs) bands (ev): -18.6297 -18.6297 -5.2904 -5.2904 -4.3499 -4.3499 -3.9496 -3.9496 -3.0117 -3.0117 -2.5116 -2.5116 3.6573 3.6573 5.6204 5.6204 5.7190 5.7190 5.7377 5.7377 5.9994 5.9994 6.1685 6.1685 6.6280 6.6280 7.3010 7.3010 7.4400 7.4400 7.8161 7.8161 7.9179 7.9179 8.0424 8.0424 8.1851 8.1851 9.3640 9.3640 9.5433 9.5433 9.5917 9.5917 9.9319 9.9319 10.6101 10.6101 12.4598 12.4598 12.5108 12.5108 k = 0.0833 0.0361 0.0000 ( 3831 PWs) bands (ev): -18.6297 -18.6297 -5.2935 -5.2935 -4.3485 -4.3485 -3.9442 -3.9442 -3.0117 -3.0117 -2.5165 -2.5165 3.6739 3.6739 5.6126 5.6126 5.7093 5.7093 5.7335 5.7335 6.0035 6.0035 6.1733 6.1733 6.6281 6.6281 7.3041 7.3041 7.4376 7.4376 7.8164 7.8164 7.9203 7.9203 8.0450 8.0450 8.1849 8.1849 9.3195 9.3195 9.5118 9.5118 9.5880 9.5880 9.9357 9.9357 10.6795 10.6795 12.3809 12.3809 12.5266 12.5266 k = 0.1042 0.0451 0.0000 ( 3843 PWs) bands (ev): -18.6297 -18.6297 -5.2974 -5.2974 -4.3469 -4.3469 -3.9374 -3.9374 -3.0118 -3.0118 -2.5226 -2.5226 3.6951 3.6951 5.6020 5.6020 5.6978 5.6978 5.7284 5.7284 6.0085 6.0085 6.1792 6.1792 6.6281 6.6281 7.3082 7.3082 7.4347 7.4347 7.8167 7.8167 7.9232 7.9232 8.0481 8.0481 8.1846 8.1846 9.2551 9.2551 9.4897 9.4897 9.5834 9.5834 9.9405 9.9405 10.7570 10.7570 12.3071 12.3071 12.5469 12.5469 k = 0.1250 0.0542 0.0000 ( 3843 PWs) bands (ev): -18.6297 -18.6297 -5.3019 -5.3019 -4.3451 -4.3451 -3.9291 -3.9291 -3.0118 -3.0118 -2.5298 -2.5298 3.7209 3.7209 5.5879 5.5879 5.6854 5.6854 5.7225 5.7225 6.0143 6.0143 6.1859 6.1859 6.6283 6.6283 7.3132 7.3132 7.4313 7.4313 7.8172 7.8172 7.9269 7.9269 8.0521 8.0521 8.1842 8.1842 9.1763 9.1763 9.4750 9.4750 9.5778 9.5778 9.9461 9.9461 10.8389 10.8389 12.2399 12.2399 12.5717 12.5717 k = 0.1458 0.0632 0.0000 ( 3827 PWs) bands (ev): -18.6297 -18.6297 -5.3070 -5.3070 -4.3431 -4.3431 -3.9197 -3.9197 -3.0118 -3.0118 -2.5382 -2.5382 3.7510 3.7510 5.5698 5.5698 5.6728 5.6728 5.7160 5.7160 6.0206 6.0206 6.1935 6.1935 6.6285 6.6285 7.3193 7.3193 7.4275 7.4275 7.8179 7.8179 7.9312 7.9312 8.0567 8.0567 8.1838 8.1838 9.0888 9.0888 9.4643 9.4643 9.5714 9.5714 9.9525 9.9525 10.9221 10.9221 12.1807 12.1807 12.6011 12.6011 k = 0.1667 0.0722 0.0000 ( 3831 PWs) bands (ev): -18.6297 -18.6297 -5.3126 -5.3126 -4.3410 -4.3410 -3.9090 -3.9090 -3.0118 -3.0118 -2.5476 -2.5476 3.7853 3.7853 5.5474 5.5474 5.6608 5.6608 5.7091 5.7091 6.0274 6.0274 6.2015 6.2015 6.6287 6.6287 7.3265 7.3265 7.4231 7.4231 7.8184 7.8184 7.9359 7.9359 8.0618 8.0618 8.1832 8.1832 8.9965 8.9965 9.4557 9.4557 9.5643 9.5643 9.9595 9.9595 11.0039 11.0039 12.1310 12.1310 12.6351 12.6351 k = 0.1875 0.0812 0.0000 ( 3831 PWs) bands (ev): -18.6297 -18.6297 -5.3186 -5.3186 -4.3388 -4.3388 -3.8974 -3.8974 -3.0118 -3.0118 -2.5578 -2.5578 3.8236 3.8236 5.5204 5.5204 5.6495 5.6495 5.7018 5.7018 6.0343 6.0343 6.2100 6.2100 6.6288 6.6288 7.3348 7.3348 7.4185 7.4185 7.8191 7.8191 7.9410 7.9410 8.0675 8.0675 8.1825 8.1825 8.9019 8.9019 9.4482 9.4482 9.5564 9.5564 9.9669 9.9669 11.0815 11.0815 12.0924 12.0924 12.6737 12.6737 k = 0.2083 0.0903 0.0000 ( 3827 PWs) bands (ev): -18.6297 -18.6297 -5.3247 -5.3247 -4.3366 -4.3366 -3.8849 -3.8849 -3.0118 -3.0118 -2.5688 -2.5688 3.8658 3.8658 5.4890 5.4890 5.6393 5.6393 5.6945 5.6945 6.0414 6.0414 6.2186 6.2186 6.6290 6.6290 7.3444 7.3444 7.4138 7.4138 7.8197 7.8197 7.9464 7.9464 8.0736 8.0736 8.1815 8.1815 8.8066 8.8066 9.4411 9.4411 9.5481 9.5481 9.9747 9.9747 11.1520 11.1520 12.0670 12.0670 12.7169 12.7169 k = 0.2292 0.0993 0.0000 ( 3831 PWs) bands (ev): -18.6297 -18.6297 -5.3310 -5.3310 -4.3345 -4.3345 -3.8718 -3.8718 -3.0118 -3.0118 -2.5803 -2.5803 3.9117 3.9117 5.4536 5.4536 5.6300 5.6300 5.6870 5.6870 6.0485 6.0485 6.2273 6.2273 6.6292 6.6292 7.3554 7.3554 7.4088 7.4088 7.8204 7.8204 7.9521 7.9521 8.0801 8.0801 8.1801 8.1801 8.7118 8.7118 9.4343 9.4343 9.5392 9.5392 9.9826 9.9826 11.2127 11.2127 12.0569 12.0569 12.7647 12.7647 k = 0.2500 0.1083 0.0000 ( 3831 PWs) bands (ev): -18.6297 -18.6297 -5.3373 -5.3373 -4.3325 -4.3325 -3.8583 -3.8583 -3.0118 -3.0118 -2.5922 -2.5922 3.9609 3.9609 5.4144 5.4144 5.6214 5.6214 5.6797 5.6797 6.0554 6.0554 6.2358 6.2358 6.6294 6.6294 7.3679 7.3679 7.4038 7.4038 7.8211 7.8211 7.9578 7.9578 8.0868 8.0868 8.1784 8.1784 8.6188 8.6188 9.4277 9.4277 9.5301 9.5301 9.9907 9.9907 11.2609 11.2609 12.0638 12.0638 12.8172 12.8172 k = 0.2708 0.1174 0.0000 ( 3831 PWs) bands (ev): -18.6297 -18.6297 -5.3436 -5.3436 -4.3306 -4.3306 -3.8445 -3.8445 -3.0119 -3.0119 -2.6042 -2.6042 4.0133 4.0133 5.3718 5.3718 5.6136 5.6136 5.6727 5.6727 6.0621 6.0621 6.2441 6.2441 6.6296 6.6296 7.3820 7.3820 7.3988 7.3988 7.8217 7.8217 7.9636 7.9636 8.0937 8.0937 8.1760 8.1760 8.5285 8.5285 9.4213 9.4213 9.5208 9.5208 9.9986 9.9986 11.2956 11.2956 12.0882 12.0882 12.8743 12.8743 k = 0.2917 0.1264 0.0000 ( 3815 PWs) bands (ev): -18.6296 -18.6296 -5.3496 -5.3496 -4.3288 -4.3288 -3.8307 -3.8307 -3.0119 -3.0119 -2.6163 -2.6163 4.0685 4.0685 5.3261 5.3261 5.6065 5.6065 5.6660 5.6660 6.0684 6.0684 6.2520 6.2520 6.6298 6.6298 7.3941 7.3941 7.3978 7.3978 7.8222 7.8222 7.9692 7.9692 8.1006 8.1006 8.1722 8.1722 8.4424 8.4424 9.4150 9.4150 9.5115 9.5115 10.0063 10.0063 11.3175 11.3175 12.1285 12.1285 12.9360 12.9360 k = 0.3125 0.1354 0.0000 ( 3799 PWs) bands (ev): -18.6296 -18.6296 -5.3553 -5.3553 -4.3272 -4.3272 -3.8172 -3.8172 -3.0119 -3.0119 -2.6281 -2.6281 4.1263 4.1263 5.2774 5.2774 5.6000 5.6000 5.6597 5.6597 6.0745 6.0745 6.2595 6.2595 6.6301 6.6301 7.3894 7.3894 7.4155 7.4155 7.8228 7.8228 7.9744 7.9744 8.1075 8.1075 8.1654 8.1654 8.3627 8.3627 9.4090 9.4090 9.5024 9.5024 10.0136 10.0136 11.3287 11.3287 12.1815 12.1815 13.0023 13.0023 k = 0.3333 0.1444 0.0000 ( 3807 PWs) bands (ev): -18.6296 -18.6296 -5.3607 -5.3607 -4.3257 -4.3257 -3.8042 -3.8042 -3.0119 -3.0119 -2.6395 -2.6395 4.1862 4.1862 5.2259 5.2259 5.5941 5.5941 5.6538 5.6538 6.0800 6.0800 6.2664 6.2664 6.6303 6.6303 7.3850 7.3850 7.4352 7.4352 7.8233 7.8233 7.9788 7.9788 8.1142 8.1142 8.1514 8.1514 8.2941 8.2941 9.4032 9.4032 9.4936 9.4936 10.0205 10.0205 11.3321 11.3321 12.2432 12.2432 13.0731 13.0731 k = 0.3542 0.1535 0.0000 ( 3807 PWs) bands (ev): -18.6296 -18.6296 -5.3656 -5.3656 -4.3244 -4.3244 -3.7919 -3.7919 -3.0119 -3.0119 -2.6503 -2.6503 4.2481 4.2481 5.1720 5.1720 5.5889 5.5889 5.6485 5.6485 6.0850 6.0850 6.2727 6.2727 6.6305 6.6305 7.3810 7.3810 7.4571 7.4571 7.8237 7.8237 7.9815 7.9815 8.1204 8.1204 8.1224 8.1224 8.2458 8.2458 9.3978 9.3978 9.4854 9.4854 10.0268 10.0268 11.3304 11.3304 12.3098 12.3098 13.1483 13.1483 k = 0.3750 0.1625 0.0000 ( 3811 PWs) bands (ev): -18.6296 -18.6296 -5.3700 -5.3700 -4.3233 -4.3233 -3.7806 -3.7806 -3.0119 -3.0119 -2.6602 -2.6602 4.3113 4.3113 5.1159 5.1159 5.5843 5.5843 5.6438 5.6438 6.0894 6.0894 6.2782 6.2782 6.6306 6.6306 7.3774 7.3774 7.4813 7.4813 7.8241 7.8241 7.9799 7.9799 8.0779 8.0779 8.1262 8.1262 8.2211 8.2211 9.3929 9.3929 9.4778 9.4778 10.0325 10.0325 11.3260 11.3260 12.3774 12.3774 13.2280 13.2280 k = 0.3958 0.1715 0.0000 ( 3819 PWs) bands (ev): -18.6296 -18.6296 -5.3738 -5.3738 -4.3223 -4.3223 -3.7706 -3.7706 -3.0119 -3.0119 -2.6690 -2.6690 4.3755 4.3755 5.0581 5.0581 5.5805 5.5805 5.6398 5.6398 6.0932 6.0932 6.2830 6.2830 6.6308 6.6308 7.3742 7.3742 7.5079 7.5079 7.8244 7.8244 7.9648 7.9648 8.0375 8.0375 8.1313 8.1313 8.2099 8.2099 9.3886 9.3886 9.4711 9.4711 10.0374 10.0374 11.3203 11.3203 12.4429 12.4429 13.3120 13.3120 k = 0.4167 0.1805 0.0000 ( 3831 PWs) bands (ev): -18.6296 -18.6296 -5.3770 -5.3770 -4.3215 -4.3215 -3.7621 -3.7621 -3.0119 -3.0119 -2.6765 -2.6765 4.4399 4.4399 4.9990 4.9990 5.5772 5.5772 5.6363 5.6363 6.0963 6.0963 6.2870 6.2870 6.6309 6.6309 7.3714 7.3714 7.5369 7.5369 7.8247 7.8247 7.9249 7.9249 8.0208 8.0208 8.1357 8.1357 8.2045 8.2045 9.3849 9.3849 9.4653 9.4653 10.0415 10.0415 11.3145 11.3145 12.5029 12.5029 13.4003 13.4003 k = 0.4375 0.1896 0.0000 ( 3839 PWs) bands (ev): -18.6296 -18.6296 -5.3795 -5.3795 -4.3209 -4.3209 -3.7552 -3.7552 -3.0120 -3.0120 -2.6826 -2.6826 4.5035 4.5035 4.9397 4.9397 5.5746 5.5746 5.6336 5.6336 6.0988 6.0988 6.2901 6.2901 6.6310 6.6310 7.3693 7.3693 7.5680 7.5680 7.8249 7.8249 7.8746 7.8746 8.0171 8.0171 8.1392 8.1392 8.2015 8.2015 9.3819 9.3819 9.4607 9.4607 10.0448 10.0448 11.3094 11.3094 12.5543 12.5543 13.4926 13.4926 k = 0.4583 0.1986 0.0000 ( 3830 PWs) bands (ev): -18.6296 -18.6296 -5.3813 -5.3813 -4.3205 -4.3205 -3.7502 -3.7502 -3.0120 -3.0120 -2.6870 -2.6870 4.5641 4.5641 4.8822 4.8822 5.5728 5.5728 5.6317 5.6317 6.1006 6.1006 6.2924 6.2924 6.6311 6.6311 7.3680 7.3680 7.5998 7.5998 7.8251 7.8251 7.8262 7.8262 8.0168 8.0168 8.1418 8.1418 8.1998 8.1998 9.3798 9.3798 9.4573 9.4573 10.0471 10.0471 11.3055 11.3055 12.5940 12.5940 13.5890 13.5890 k = 0.4792 0.2076 0.0000 ( 3834 PWs) bands (ev): -18.6296 -18.6296 -5.3824 -5.3824 -4.3202 -4.3202 -3.7471 -3.7471 -3.0120 -3.0120 -2.6897 -2.6897 4.6156 4.6156 4.8326 4.8326 5.5717 5.5717 5.6306 5.6306 6.1017 6.1017 6.2937 6.2937 6.6311 6.6311 7.3671 7.3671 7.6282 7.6282 7.7871 7.7871 7.8251 7.8251 8.0170 8.0170 8.1434 8.1434 8.1989 8.1989 9.3785 9.3785 9.4552 9.4552 10.0486 10.0486 11.3030 11.3030 12.6192 12.6192 13.6476 13.6476 k = 0.5000 0.2167 0.0000 ( 3850 PWs) bands (ev): -18.6296 -18.6296 -5.3828 -5.3828 -4.3202 -4.3202 -3.7461 -3.7461 -3.0120 -3.0120 -2.6906 -2.6906 4.6394 4.6394 4.8095 4.8095 5.5714 5.5714 5.6302 5.6302 6.1020 6.1020 6.2941 6.2941 6.6310 6.6310 7.3668 7.3668 7.6416 7.6416 7.7701 7.7701 7.8251 7.8251 8.0169 8.0169 8.1438 8.1438 8.1986 8.1986 9.3780 9.3780 9.4545 9.4545 10.0490 10.0490 11.3022 11.3022 12.6278 12.6278 13.6435 13.6435 k = 0.5000 0.2167 0.0000 ( 3850 PWs) bands (ev): -18.6296 -18.6296 -5.3828 -5.3828 -4.3202 -4.3202 -3.7461 -3.7461 -3.0120 -3.0120 -2.6906 -2.6906 4.6394 4.6394 4.8095 4.8095 5.5714 5.5714 5.6302 5.6302 6.1020 6.1020 6.2941 6.2941 6.6310 6.6310 7.3668 7.3668 7.6416 7.6416 7.7701 7.7701 7.8251 7.8251 8.0169 8.0169 8.1438 8.1438 8.1986 8.1986 9.3780 9.3780 9.4545 9.4545 10.0490 10.0490 11.3022 11.3022 12.6278 12.6278 13.6435 13.6435 k = 0.4937 0.2312 0.0158 ( 3838 PWs) bands (ev): -18.6295 -18.6295 -5.3827 -5.3827 -4.3205 -4.3205 -3.7464 -3.7464 -3.0112 -3.0112 -2.6909 -2.6909 4.6388 4.6388 4.8097 4.8097 5.5717 5.5717 5.6305 5.6305 6.1003 6.1003 6.2922 6.2922 6.6315 6.6315 7.3671 7.3671 7.6412 7.6412 7.7696 7.7696 7.8246 7.8246 8.0167 8.0167 8.1376 8.1376 8.2045 8.2045 9.3772 9.3772 9.4537 9.4537 10.0529 10.0529 11.3067 11.3067 12.6241 12.6241 13.6314 13.6314 k = 0.4874 0.2457 0.0317 ( 3838 PWs) bands (ev): -18.6293 -18.6293 -5.3822 -5.3822 -4.3214 -4.3214 -3.7476 -3.7476 -3.0090 -3.0090 -2.6917 -2.6917 4.6370 4.6370 4.8105 4.8105 5.5725 5.5725 5.6312 5.6312 6.0950 6.0950 6.2865 6.2865 6.6326 6.6326 7.3679 7.3679 7.6400 7.6400 7.7681 7.7681 7.8231 7.8231 8.0158 8.0158 8.1231 8.1231 8.2176 8.2176 9.3747 9.3747 9.4513 9.4513 10.0643 10.0643 11.3201 11.3201 12.6129 12.6129 13.5896 13.5896 k = 0.4811 0.2602 0.0475 ( 3844 PWs) bands (ev): -18.6288 -18.6288 -5.3814 -5.3814 -4.3230 -4.3230 -3.7493 -3.7493 -3.0053 -3.0053 -2.6930 -2.6930 4.6341 4.6341 4.8117 4.8117 5.5740 5.5740 5.6325 5.6325 6.0861 6.0861 6.2773 6.2773 6.6344 6.6344 7.3690 7.3690 7.6381 7.6381 7.7652 7.7652 7.8206 7.8206 8.0146 8.0146 8.1054 8.1054 8.2333 8.2333 9.3701 9.3701 9.4478 9.4478 10.0830 10.0830 11.3421 11.3421 12.5943 12.5943 13.5156 13.5156 k = 0.4748 0.2747 0.0633 ( 3842 PWs) bands (ev): -18.6283 -18.6283 -5.3804 -5.3804 -4.3251 -4.3251 -3.7518 -3.7518 -3.0002 -3.0002 -2.6949 -2.6949 4.6300 4.6300 4.8133 4.8133 5.5761 5.5761 5.6343 5.6343 6.0731 6.0731 6.2654 6.2654 6.6370 6.6370 7.3702 7.3702 7.6356 7.6356 7.7605 7.7605 7.8171 7.8171 8.0135 8.0135 8.0869 8.0869 8.2501 8.2501 9.3629 9.3629 9.4440 9.4440 10.1083 10.1083 11.3724 11.3724 12.5682 12.5682 13.4176 13.4176 k = 0.4685 0.2893 0.0791 ( 3846 PWs) bands (ev): -18.6276 -18.6276 -5.3791 -5.3791 -4.3277 -4.3277 -3.7547 -3.7547 -2.9939 -2.9939 -2.6973 -2.6973 4.6247 4.6247 4.8150 4.8150 5.5787 5.5787 5.6366 5.6366 6.0557 6.0557 6.2516 6.2516 6.6404 6.6404 7.3713 7.3713 7.6325 7.6325 7.7536 7.7536 7.8129 7.8129 8.0124 8.0124 8.0693 8.0693 8.2673 8.2673 9.3528 9.3528 9.4405 9.4405 10.1396 10.1396 11.4103 11.4103 12.5350 12.5350 13.3048 13.3048 k = 0.4622 0.3038 0.0950 ( 3838 PWs) bands (ev): -18.6267 -18.6267 -5.3777 -5.3777 -4.3308 -4.3308 -3.7581 -3.7581 -2.9864 -2.9864 -2.7002 -2.7002 4.6185 4.6185 4.8165 4.8165 5.5820 5.5820 5.6394 5.6394 6.0338 6.0338 6.2365 6.2365 6.6446 6.6446 7.3718 7.3718 7.6289 7.6289 7.7442 7.7442 7.8082 7.8082 8.0094 8.0094 8.0558 8.0558 8.2849 8.2849 9.3395 9.3395 9.4378 9.4378 10.1760 10.1760 11.4552 11.4552 12.4951 12.4951 13.1836 13.1836 k = 0.4560 0.3183 0.1108 ( 3834 PWs) bands (ev): -18.6257 -18.6257 -5.3762 -5.3762 -4.3342 -4.3342 -3.7619 -3.7619 -2.9779 -2.9779 -2.7035 -2.7035 4.6112 4.6112 4.8176 4.8176 5.5858 5.5858 5.6427 5.6427 6.0073 6.0073 6.2209 6.2209 6.6497 6.6497 7.3715 7.3715 7.6250 7.6250 7.7325 7.7325 7.8026 7.8026 8.0009 8.0009 8.0508 8.0508 8.3026 8.3026 9.3235 9.3235 9.4361 9.4361 10.2168 10.2168 11.5064 11.5064 12.4494 12.4494 13.0579 13.0579 k = 0.4497 0.3328 0.1266 ( 3824 PWs) bands (ev): -18.6245 -18.6245 -5.3746 -5.3746 -4.3378 -4.3378 -3.7658 -3.7658 -2.9685 -2.9685 -2.7074 -2.7074 4.6029 4.6029 4.8179 4.8179 5.5902 5.5902 5.6466 5.6466 5.9766 5.9766 6.2053 6.2053 6.6555 6.6555 7.3699 7.3699 7.6208 7.6208 7.7188 7.7188 7.7964 7.7964 7.9864 7.9864 8.0553 8.0553 8.3205 8.3205 9.3051 9.3051 9.4353 9.4353 10.2611 10.2611 11.5630 11.5630 12.3986 12.3986 12.9306 12.9306 k = 0.4434 0.3474 0.1424 ( 3828 PWs) bands (ev): -18.6233 -18.6233 -5.3732 -5.3732 -4.3415 -4.3415 -3.7699 -3.7699 -2.9583 -2.9583 -2.7117 -2.7117 4.5938 4.5938 4.8169 4.8169 5.5952 5.5952 5.6509 5.6509 5.9424 5.9424 6.1900 6.1900 6.6622 6.6622 7.3667 7.3667 7.6165 7.6165 7.7037 7.7037 7.7893 7.7893 7.9690 7.9690 8.0663 8.0663 8.3384 8.3384 9.2849 9.2849 9.4353 9.4353 10.3080 10.3080 11.6244 11.6244 12.3439 12.3439 12.8039 12.8039 k = 0.4371 0.3619 0.1583 ( 3828 PWs) bands (ev): -18.6219 -18.6219 -5.3718 -5.3718 -4.3451 -4.3451 -3.7740 -3.7740 -2.9476 -2.9476 -2.7165 -2.7165 4.5838 4.5838 4.8141 4.8141 5.6007 5.6007 5.6557 5.6557 5.9058 5.9058 6.1749 6.1749 6.6697 6.6697 7.3618 7.3618 7.6121 7.6121 7.6879 7.6879 7.7815 7.7815 7.9506 7.9506 8.0817 8.0817 8.3562 8.3562 9.2635 9.2635 9.4358 9.4358 10.3566 10.3566 11.6896 11.6896 12.2864 12.2864 12.6794 12.6794 k = 0.4308 0.3764 0.1741 ( 3824 PWs) bands (ev): -18.6203 -18.6203 -5.3708 -5.3708 -4.3485 -4.3485 -3.7781 -3.7781 -2.9366 -2.9366 -2.7216 -2.7216 4.5732 4.5732 4.8088 4.8088 5.6069 5.6069 5.6610 5.6610 5.8680 5.8680 6.1600 6.1600 6.6780 6.6780 7.3552 7.3552 7.6076 7.6076 7.6718 7.6718 7.7728 7.7728 7.9320 7.9320 8.1005 8.1005 8.3739 8.3739 9.2415 9.2415 9.4366 9.4366 10.4060 10.4060 11.7580 11.7580 12.2271 12.2271 12.5587 12.5587 k = 0.4245 0.3909 0.1899 ( 3824 PWs) bands (ev): -18.6187 -18.6187 -5.3701 -5.3701 -4.3515 -4.3515 -3.7819 -3.7819 -2.9254 -2.9254 -2.7270 -2.7270 4.5619 4.5619 4.8006 4.8006 5.6136 5.6136 5.6664 5.6664 5.8303 5.8303 6.1453 6.1453 6.6872 6.6872 7.3468 7.3468 7.6030 7.6030 7.6562 7.6562 7.7634 7.7634 7.9133 7.9133 8.1222 8.1222 8.3914 8.3914 9.2192 9.2192 9.4377 9.4377 10.4548 10.4548 11.8283 11.8283 12.1675 12.1675 12.4435 12.4435 k = 0.4182 0.4054 0.2057 ( 3820 PWs) bands (ev): -18.6170 -18.6170 -5.3699 -5.3699 -4.3539 -4.3539 -3.7856 -3.7856 -2.9142 -2.9142 -2.7325 -2.7325 4.5501 4.5501 4.7888 4.7888 5.6209 5.6209 5.6720 5.6720 5.7942 5.7942 6.1306 6.1306 6.6972 6.6972 7.3371 7.3371 7.5980 7.5980 7.6414 7.6414 7.7532 7.7532 7.8946 7.8946 8.1462 8.1462 8.4086 8.4086 9.1972 9.1972 9.4388 9.4388 10.5019 10.5019 11.8981 11.8981 12.1106 12.1106 12.3355 12.3355 k = 0.4119 0.4200 0.2216 ( 3818 PWs) bands (ev): -18.6152 -18.6152 -5.3702 -5.3702 -4.3556 -4.3556 -3.7890 -3.7890 -2.9035 -2.9035 -2.7381 -2.7381 4.5379 4.5379 4.7727 4.7727 5.6285 5.6285 5.6772 5.6772 5.7615 5.7615 6.1159 6.1159 6.7079 6.7079 7.3260 7.3260 7.5922 7.5922 7.6278 7.6278 7.7423 7.7423 7.8759 7.8759 8.1721 8.1721 8.4256 8.4256 9.1757 9.1757 9.4400 9.4400 10.5456 10.5456 11.9544 11.9544 12.0687 12.0687 12.2374 12.2374 k = 0.4056 0.4345 0.2374 ( 3808 PWs) bands (ev): -18.6133 -18.6133 -5.3712 -5.3712 -4.3564 -4.3564 -3.7921 -3.7921 -2.8934 -2.8934 -2.7435 -2.7435 4.5255 4.5255 4.7519 4.7519 5.6364 5.6364 5.6803 5.6803 5.7350 5.7350 6.1011 6.1011 6.7195 6.7195 7.3142 7.3142 7.5850 7.5850 7.6162 7.6162 7.7308 7.7308 7.8571 7.8571 8.1994 8.1994 8.4422 8.4422 9.1550 9.1550 9.4410 9.4410 10.5840 10.5840 11.9490 11.9490 12.0818 12.0818 12.1602 12.1602 k = 0.3993 0.4490 0.2532 ( 3806 PWs) bands (ev): -18.6113 -18.6113 -5.3729 -5.3729 -4.3561 -4.3561 -3.7949 -3.7949 -2.8844 -2.8844 -2.7484 -2.7484 4.5129 4.5129 4.7261 4.7261 5.6439 5.6439 5.6773 5.6773 5.7199 5.7199 6.0863 6.0863 6.7319 6.7319 7.3017 7.3017 7.5758 7.5758 7.6068 7.6068 7.7188 7.7188 7.8381 7.8381 8.2277 8.2277 8.4583 8.4583 9.1354 9.1354 9.4417 9.4417 10.6152 10.6152 11.9009 11.9009 12.0544 12.0544 12.1831 12.1831 k = 0.3930 0.4635 0.2691 ( 3808 PWs) bands (ev): -18.6093 -18.6093 -5.3754 -5.3754 -4.3546 -4.3546 -3.7973 -3.7973 -2.8770 -2.8770 -2.7523 -2.7523 4.5003 4.5003 4.6954 4.6954 5.6480 5.6480 5.6699 5.6699 5.7182 5.7182 6.0713 6.0713 6.7449 6.7449 7.2891 7.2891 7.5646 7.5646 7.5994 7.5994 7.7061 7.7061 7.8190 7.8190 8.2567 8.2567 8.4738 8.4738 9.1170 9.1170 9.4421 9.4421 10.6371 10.6371 11.8464 11.8464 11.9966 11.9966 12.2623 12.2623 k = 0.3867 0.4780 0.2849 ( 3812 PWs) bands (ev): -18.6073 -18.6073 -5.3787 -5.3787 -4.3518 -4.3518 -3.7992 -3.7992 -2.8719 -2.8719 -2.7549 -2.7549 4.4878 4.4878 4.6600 4.6600 5.6418 5.6418 5.6717 5.6717 5.7233 5.7233 6.0563 6.0563 6.7587 6.7587 7.2766 7.2766 7.5521 7.5521 7.5932 7.5932 7.6930 7.6930 7.7996 7.7996 8.2858 8.2858 8.4889 8.4889 9.0998 9.0998 9.4421 9.4421 10.6482 10.6482 11.7918 11.7918 11.9513 11.9513 12.3508 12.3508 k = 0.3804 0.4926 0.3007 ( 3812 PWs) bands (ev): -18.6052 -18.6052 -5.3828 -5.3828 -4.3477 -4.3477 -3.8008 -3.8008 -2.8695 -2.8695 -2.7555 -2.7555 4.4756 4.4756 4.6204 4.6204 5.6319 5.6319 5.6800 5.6800 5.7308 5.7308 6.0412 6.0412 6.7732 6.7732 7.2643 7.2643 7.5389 7.5389 7.5875 7.5875 7.6796 7.6796 7.7801 7.7801 8.3147 8.3147 8.5035 8.5035 9.0842 9.0842 9.4416 9.4416 10.6475 10.6475 11.7386 11.7386 11.9227 11.9227 12.4447 12.4447 k = 0.3741 0.5071 0.3165 ( 3816 PWs) bands (ev): -18.6032 -18.6032 -5.3877 -5.3877 -4.3421 -4.3421 -3.8019 -3.8019 -2.8701 -2.8701 -2.7541 -2.7541 4.4636 4.4636 4.5774 4.5774 5.6241 5.6241 5.6901 5.6901 5.7394 5.7394 6.0261 6.0261 6.7884 6.7884 7.2527 7.2527 7.5253 7.5253 7.5818 7.5818 7.6657 7.6657 7.7604 7.7604 8.3428 8.3428 8.5175 8.5175 9.0700 9.0700 9.4403 9.4403 10.6355 10.6355 11.6875 11.6875 11.9110 11.9110 12.5432 12.5432 k = 0.3679 0.5216 0.3324 ( 3826 PWs) bands (ev): -18.6011 -18.6011 -5.3935 -5.3935 -4.3351 -4.3351 -3.8026 -3.8026 -2.8736 -2.8736 -2.7508 -2.7508 4.4518 4.4518 4.5321 4.5321 5.6192 5.6192 5.7008 5.7008 5.7486 5.7486 6.0111 6.0111 6.8042 6.8042 7.2418 7.2418 7.5114 7.5114 7.5759 7.5759 7.6516 7.6516 7.7404 7.7404 8.3698 8.3698 8.5309 8.5309 9.0573 9.0573 9.4383 9.4383 10.6136 10.6136 11.6390 11.6390 11.9149 11.9149 12.6460 12.6460 k = 0.3616 0.5361 0.3482 ( 3828 PWs) bands (ev): -18.5990 -18.5990 -5.3999 -5.3999 -4.3268 -4.3268 -3.8028 -3.8028 -2.8798 -2.8798 -2.7460 -2.7460 4.4392 4.4392 4.4863 4.4863 5.6169 5.6169 5.7121 5.7121 5.7582 5.7582 5.9961 5.9961 6.8206 6.8206 7.2317 7.2317 7.4973 7.4973 7.5697 7.5697 7.6373 7.6373 7.7203 7.7203 8.3951 8.3951 8.5437 8.5437 9.0461 9.0461 9.4354 9.4354 10.5845 10.5845 11.5935 11.5935 11.9322 11.9322 12.7524 12.7524 k = 0.3553 0.5507 0.3640 ( 3816 PWs) bands (ev): -18.5970 -18.5970 -5.4070 -5.4070 -4.3172 -4.3172 -3.8024 -3.8024 -2.8880 -2.8880 -2.7402 -2.7402 4.4188 4.4188 4.4482 4.4482 5.6167 5.6167 5.7237 5.7237 5.7682 5.7682 5.9813 5.9813 6.8377 6.8377 7.2225 7.2225 7.4833 7.4833 7.5630 7.5630 7.6229 7.6229 7.7001 7.7001 8.4184 8.4184 8.5559 8.5559 9.0364 9.0364 9.4314 9.4314 10.5509 10.5509 11.5514 11.5514 11.9605 11.9605 12.8603 12.8603 k = 0.3490 0.5652 0.3798 ( 3820 PWs) bands (ev): -18.5950 -18.5950 -5.4147 -5.4147 -4.3064 -4.3064 -3.8015 -3.8015 -2.8978 -2.8978 -2.7340 -2.7340 4.3781 4.3781 4.4310 4.4310 5.6181 5.6181 5.7355 5.7355 5.7783 5.7783 5.9666 5.9666 6.8552 6.8552 7.2142 7.2142 7.4690 7.4690 7.5558 7.5558 7.6083 7.6083 7.6799 7.6799 8.4391 8.4391 8.5675 8.5675 9.0281 9.0281 9.4264 9.4264 10.5157 10.5157 11.5128 11.5128 11.9972 11.9972 12.9414 12.9414 k = 0.3427 0.5797 0.3957 ( 3816 PWs) bands (ev): -18.5930 -18.5930 -5.4228 -5.4228 -4.2947 -4.2947 -3.7999 -3.7999 -2.9088 -2.9088 -2.7278 -2.7278 4.3310 4.3310 4.4219 4.4219 5.6204 5.6204 5.7474 5.7474 5.7886 5.7886 5.9522 5.9522 6.8733 6.8733 7.2069 7.2069 7.4548 7.4548 7.5481 7.5481 7.5939 7.5939 7.6596 7.6596 8.4570 8.4570 8.5783 8.5783 9.0212 9.0212 9.4201 9.4201 10.4815 10.4815 11.4781 11.4781 12.0403 12.0403 12.9499 12.9499 k = 0.3364 0.5942 0.4115 ( 3810 PWs) bands (ev): -18.5912 -18.5912 -5.4312 -5.4312 -4.2822 -4.2822 -3.7976 -3.7976 -2.9208 -2.9208 -2.7219 -2.7219 4.2838 4.2838 4.4152 4.4152 5.6231 5.6231 5.7596 5.7596 5.7989 5.7989 5.9381 5.9381 6.8918 6.8918 7.2007 7.2007 7.4406 7.4406 7.5398 7.5398 7.5797 7.5797 7.6394 7.6394 8.4716 8.4716 8.5883 8.5883 9.0155 9.0155 9.4125 9.4125 10.4505 10.4505 11.4473 11.4473 12.0880 12.0880 12.9509 12.9509 k = 0.3301 0.6087 0.4273 ( 3822 PWs) bands (ev): -18.5893 -18.5893 -5.4398 -5.4398 -4.2692 -4.2692 -3.7945 -3.7945 -2.9335 -2.9335 -2.7165 -2.7165 4.2377 4.2377 4.4102 4.4102 5.6255 5.6255 5.7716 5.7716 5.8090 5.8090 5.9245 5.9245 6.9105 6.9105 7.1954 7.1954 7.4264 7.4264 7.5306 7.5306 7.5658 7.5658 7.6195 7.6195 8.4826 8.4826 8.5977 8.5977 9.0110 9.0110 9.4034 9.4034 10.4242 10.4242 11.4206 11.4206 12.1391 12.1391 12.9552 12.9552 k = 0.3238 0.6233 0.4431 ( 3816 PWs) bands (ev): -18.5876 -18.5876 -5.4484 -5.4484 -4.2559 -4.2559 -3.7905 -3.7905 -2.9467 -2.9467 -2.7118 -2.7118 4.1937 4.1937 4.4069 4.4069 5.6273 5.6273 5.7837 5.7837 5.8189 5.8189 5.9114 5.9114 6.9297 6.9297 7.1911 7.1911 7.4124 7.4124 7.5207 7.5207 7.5525 7.5525 7.6001 7.6001 8.4900 8.4900 8.6064 8.6064 9.0077 9.0077 9.3928 9.3928 10.4041 10.4041 11.3982 11.3982 12.1927 12.1927 12.9637 12.9637 k = 0.3175 0.6378 0.4590 ( 3820 PWs) bands (ev): -18.5860 -18.5860 -5.4570 -5.4570 -4.2427 -4.2427 -3.7854 -3.7854 -2.9603 -2.9603 -2.7079 -2.7079 4.1520 4.1520 4.4053 4.4053 5.6279 5.6279 5.7956 5.7956 5.8283 5.8283 5.8992 5.8992 6.9489 6.9489 7.1879 7.1879 7.3987 7.3987 7.5098 7.5098 7.5399 7.5399 7.5813 7.5813 8.4934 8.4934 8.6147 8.6147 9.0054 9.0054 9.3806 9.3806 10.3910 10.3910 11.3800 11.3800 12.2479 12.2479 12.9766 12.9766 k = 0.3112 0.6523 0.4748 ( 3808 PWs) bands (ev): -18.5845 -18.5845 -5.4653 -5.4653 -4.2299 -4.2299 -3.7792 -3.7792 -2.9740 -2.9740 -2.7050 -2.7050 4.1132 4.1132 4.4053 4.4053 5.6270 5.6270 5.8072 5.8072 5.8368 5.8368 5.8884 5.8884 6.9684 6.9684 7.1855 7.1855 7.3854 7.3854 7.4977 7.4977 7.5282 7.5282 7.5636 7.5636 8.4928 8.4928 8.6228 8.6228 9.0041 9.0041 9.3667 9.3667 10.3853 10.3853 11.3662 11.3662 12.3043 12.3043 12.9937 12.9937 k = 0.3049 0.6668 0.4906 ( 3802 PWs) bands (ev): -18.5831 -18.5831 -5.4733 -5.4733 -4.2178 -4.2178 -3.7717 -3.7717 -2.9878 -2.9878 -2.7031 -2.7031 4.0775 4.0775 4.4071 4.4071 5.6240 5.6240 5.8180 5.8180 5.8435 5.8435 5.8802 5.8802 6.9878 6.9878 7.1840 7.1840 7.3727 7.3727 7.4845 7.4845 7.5172 7.5172 7.5474 7.5474 8.4885 8.4885 8.6310 8.6310 9.0036 9.0036 9.3512 9.3512 10.3873 10.3873 11.3568 11.3568 12.3614 12.3614 13.0146 13.0146 k = 0.2986 0.6814 0.5065 ( 3802 PWs) bands (ev): -18.5818 -18.5818 -5.4808 -5.4808 -4.2067 -4.2067 -3.7629 -3.7629 -3.0014 -3.0014 -2.7024 -2.7024 4.0452 4.0452 4.4107 4.4107 5.6188 5.6188 5.8264 5.8264 5.8474 5.8474 5.8773 5.8773 7.0070 7.0070 7.1831 7.1831 7.3607 7.3607 7.4703 7.4703 7.5067 7.5067 7.5331 7.5331 8.4805 8.4805 8.6394 8.6394 9.0039 9.0039 9.3339 9.3339 10.3969 10.3969 11.3518 11.3518 12.4188 12.4188 13.0391 13.0391 k = 0.2923 0.6959 0.5223 ( 3806 PWs) bands (ev): -18.5807 -18.5807 -5.4878 -5.4878 -4.1969 -4.1969 -3.7528 -3.7528 -3.0148 -3.0148 -2.7027 -2.7027 4.0165 4.0165 4.4162 4.4162 5.6109 5.6109 5.8280 5.8280 5.8520 5.8520 5.8802 5.8802 7.0259 7.0259 7.1825 7.1825 7.3497 7.3497 7.4553 7.4553 7.4964 7.4964 7.5210 7.5210 8.4695 8.4695 8.6482 8.6482 9.0050 9.0050 9.3149 9.3149 10.4137 10.4137 11.3512 11.3512 12.4763 12.4763 13.0663 13.0663 k = 0.2861 0.7104 0.5381 ( 3822 PWs) bands (ev): -18.5797 -18.5797 -5.4941 -5.4941 -4.1886 -4.1886 -3.7412 -3.7412 -3.0277 -3.0277 -2.7043 -2.7043 3.9916 3.9916 4.4236 4.4236 5.6002 5.6002 5.8226 5.8226 5.8606 5.8606 5.8863 5.8863 7.0442 7.0442 7.1820 7.1820 7.3402 7.3402 7.4400 7.4400 7.4861 7.4861 7.5114 7.5114 8.4560 8.4560 8.6575 8.6575 9.0067 9.0067 9.2943 9.2943 10.4372 10.4372 11.3549 11.3549 12.5335 12.5335 13.0945 13.0945 k = 0.2798 0.7249 0.5539 ( 3822 PWs) bands (ev): -18.5789 -18.5789 -5.4997 -5.4997 -4.1820 -4.1820 -3.7285 -3.7285 -3.0400 -3.0400 -2.7070 -2.7070 3.9705 3.9705 4.4329 4.4329 5.5865 5.5865 5.8144 5.8144 5.8707 5.8707 5.8933 5.8933 7.0619 7.0619 7.1812 7.1812 7.3327 7.3327 7.4249 7.4249 7.4762 7.4762 7.5041 7.5041 8.4406 8.4406 8.6673 8.6673 9.0092 9.0092 9.2719 9.2719 10.4668 10.4668 11.3630 11.3630 12.5902 12.5902 13.1184 13.1184 k = 0.2735 0.7394 0.5698 ( 3826 PWs) bands (ev): -18.5782 -18.5782 -5.5044 -5.5044 -4.1772 -4.1772 -3.7146 -3.7146 -3.0515 -3.0515 -2.7108 -2.7108 3.9534 3.9534 4.4443 4.4443 5.5697 5.5697 5.8054 5.8054 5.8811 5.8811 5.9005 5.9005 7.0785 7.0785 7.1794 7.1794 7.3276 7.3276 7.4104 7.4104 7.4668 7.4668 7.4986 7.4986 8.4239 8.4239 8.6777 8.6777 9.0122 9.0122 9.2480 9.2480 10.5019 10.5019 11.3752 11.3752 12.6459 12.6459 13.1320 13.1320 k = 0.2735 0.7394 0.5698 ( 3826 PWs) bands (ev): -18.5782 -18.5782 -5.5044 -5.5044 -4.1772 -4.1772 -3.7146 -3.7146 -3.0515 -3.0515 -2.7108 -2.7108 3.9534 3.9534 4.4443 4.4443 5.5697 5.5697 5.8054 5.8054 5.8811 5.8811 5.9005 5.9005 7.0785 7.0785 7.1794 7.1794 7.3276 7.3276 7.4104 7.4104 7.4668 7.4668 7.4986 7.4986 8.4239 8.4239 8.6777 8.6777 9.0122 9.0122 9.2480 9.2480 10.5019 10.5019 11.3752 11.3752 12.6459 12.6459 13.1320 13.1320 k = 0.2524 0.7353 0.5743 ( 3830 PWs) bands (ev): -18.5780 -18.5780 -5.5056 -5.5056 -4.1762 -4.1762 -3.7101 -3.7101 -3.0547 -3.0547 -2.7123 -2.7123 3.9501 3.9501 4.4465 4.4465 5.5656 5.5656 5.8024 5.8024 5.8841 5.8841 5.9021 5.9021 7.0832 7.0832 7.1786 7.1786 7.3269 7.3269 7.4064 7.4064 7.4643 7.4643 7.4972 7.4972 8.4209 8.4209 8.6810 8.6810 9.0091 9.0091 9.2403 9.2403 10.5164 10.5164 11.3816 11.3816 12.6615 12.6615 13.1146 13.1146 k = 0.2314 0.7311 0.5788 ( 3830 PWs) bands (ev): -18.5778 -18.5778 -5.5068 -5.5068 -4.1754 -4.1754 -3.7051 -3.7051 -3.0581 -3.0581 -2.7141 -2.7141 3.9489 3.9489 4.4462 4.4462 5.5639 5.5639 5.7989 5.7989 5.8868 5.8868 5.9030 5.9030 7.0880 7.0880 7.1776 7.1776 7.3266 7.3266 7.4024 7.4024 7.4618 7.4618 7.4954 7.4954 8.4216 8.4216 8.6845 8.6845 8.9985 8.9985 9.2318 9.2318 10.5375 10.5375 11.3929 11.3929 12.6762 12.6762 13.0843 13.0843 k = 0.2104 0.7269 0.5834 ( 3830 PWs) bands (ev): -18.5777 -18.5777 -5.5079 -5.5079 -4.1749 -4.1749 -3.6995 -3.6995 -3.0617 -3.0617 -2.7161 -2.7161 3.9496 3.9496 4.4432 4.4432 5.5647 5.5647 5.7950 5.7950 5.8881 5.8881 5.9039 5.9039 7.0928 7.0928 7.1763 7.1763 7.3269 7.3269 7.3983 7.3983 7.4594 7.4594 7.4934 7.4934 8.4260 8.4260 8.6882 8.6882 8.9810 8.9810 9.2226 9.2226 10.5633 10.5633 11.4095 11.4095 12.6894 12.6894 13.0539 13.0539 k = 0.1893 0.7228 0.5879 ( 3829 PWs) bands (ev): -18.5776 -18.5776 -5.5089 -5.5089 -4.1745 -4.1745 -3.6937 -3.6937 -3.0654 -3.0654 -2.7183 -2.7183 3.9520 3.9520 4.4379 4.4379 5.5679 5.5679 5.7911 5.7911 5.8871 5.8871 5.9057 5.9057 7.0978 7.0978 7.1746 7.1746 7.3277 7.3277 7.3943 7.3943 7.4571 7.4571 7.4912 7.4912 8.4340 8.4340 8.6920 8.6920 8.9577 8.9577 9.2131 9.2131 10.5921 10.5921 11.4315 11.4315 12.7003 12.7003 13.0254 13.0254 k = 0.1683 0.7186 0.5925 ( 3835 PWs) bands (ev): -18.5775 -18.5775 -5.5099 -5.5099 -4.1743 -4.1743 -3.6878 -3.6878 -3.0691 -3.0691 -2.7204 -2.7204 3.9560 3.9560 4.4305 4.4305 5.5734 5.5734 5.7871 5.7871 5.8837 5.8837 5.9084 5.9084 7.1028 7.1028 7.1726 7.1726 7.3291 7.3291 7.3902 7.3902 7.4550 7.4550 7.4888 7.4888 8.4455 8.4455 8.6957 8.6957 8.9298 8.9298 9.2036 9.2036 10.6217 10.6217 11.4590 11.4590 12.7081 12.7081 12.9993 12.9993 k = 0.1473 0.7144 0.5970 ( 3837 PWs) bands (ev): -18.5774 -18.5774 -5.5108 -5.5108 -4.1741 -4.1741 -3.6819 -3.6819 -3.0728 -3.0728 -2.7226 -2.7226 3.9611 3.9611 4.4215 4.4215 5.5808 5.5808 5.7834 5.7834 5.8785 5.8785 5.9114 5.9114 7.1079 7.1079 7.1703 7.1703 7.3311 7.3311 7.3861 7.3861 7.4531 7.4531 7.4864 7.4864 8.4603 8.4603 8.6993 8.6993 8.8983 8.8983 9.1944 9.1944 10.6504 10.6504 11.4914 11.4914 12.7120 12.7120 12.9759 12.9759 k = 0.1262 0.7103 0.6015 ( 3833 PWs) bands (ev): -18.5773 -18.5773 -5.5116 -5.5116 -4.1741 -4.1741 -3.6764 -3.6764 -3.0763 -3.0763 -2.7246 -2.7246 3.9671 3.9671 4.4115 4.4115 5.5895 5.5895 5.7798 5.7798 5.8723 5.8723 5.9145 5.9145 7.1131 7.1131 7.1675 7.1675 7.3335 7.3335 7.3820 7.3820 7.4515 7.4515 7.4841 7.4841 8.4783 8.4783 8.7027 8.7027 8.8644 8.8644 9.1858 9.1858 10.6767 10.6767 11.5278 11.5278 12.7114 12.7114 12.9553 12.9553 k = 0.1052 0.7061 0.6061 ( 3831 PWs) bands (ev): -18.5772 -18.5772 -5.5123 -5.5123 -4.1741 -4.1741 -3.6713 -3.6713 -3.0795 -3.0795 -2.7264 -2.7264 3.9735 3.9735 4.4012 4.4012 5.5991 5.5991 5.7765 5.7765 5.8654 5.8654 5.9174 5.9174 7.1183 7.1183 7.1644 7.1644 7.3365 7.3365 7.3777 7.3777 7.4500 7.4500 7.4819 7.4819 8.4994 8.4994 8.7055 8.7055 8.8290 8.8290 9.1780 9.1780 10.6997 10.6997 11.5666 11.5666 12.7064 12.7064 12.9377 12.9377 k = 0.0841 0.7019 0.6106 ( 3821 PWs) bands (ev): -18.5771 -18.5771 -5.5129 -5.5129 -4.1741 -4.1741 -3.6668 -3.6668 -3.0823 -3.0823 -2.7279 -2.7279 3.9799 3.9799 4.3913 4.3913 5.6087 5.6087 5.7735 5.7735 5.8586 5.8586 5.9198 5.9198 7.1234 7.1234 7.1610 7.1610 7.3398 7.3398 7.3735 7.3735 7.4489 7.4489 7.4800 7.4800 8.5233 8.5233 8.7074 8.7074 8.7933 8.7933 9.1713 9.1713 10.7187 10.7187 11.6052 11.6052 12.6977 12.6977 12.9230 12.9230 k = 0.0631 0.6978 0.6152 ( 3821 PWs) bands (ev): -18.5771 -18.5771 -5.5133 -5.5133 -4.1741 -4.1741 -3.6632 -3.6632 -3.0846 -3.0846 -2.7292 -2.7292 3.9856 3.9856 4.3825 4.3825 5.6177 5.6177 5.7709 5.7709 5.8523 5.8523 5.9218 5.9218 7.1285 7.1285 7.1572 7.1572 7.3435 7.3435 7.3691 7.3691 7.4479 7.4479 7.4784 7.4784 8.5497 8.5497 8.7071 8.7071 8.7590 8.7590 9.1658 9.1658 10.7335 10.7335 11.6407 11.6407 12.6868 12.6868 12.9116 12.9116 k = 0.0421 0.6936 0.6197 ( 3821 PWs) bands (ev): -18.5771 -18.5771 -5.5136 -5.5136 -4.1742 -4.1742 -3.6604 -3.6604 -3.0864 -3.0864 -2.7301 -2.7301 3.9902 3.9902 4.3756 4.3756 5.6250 5.6250 5.7687 5.7687 5.8472 5.8472 5.9232 5.9232 7.1335 7.1335 7.1532 7.1532 7.3474 7.3474 7.3647 7.3647 7.4473 7.4473 7.4772 7.4772 8.5785 8.5785 8.6988 8.6988 8.7326 8.7326 9.1618 9.1618 10.7440 10.7440 11.6697 11.6697 12.6760 12.6760 12.9033 12.9033 k = 0.0210 0.6894 0.6242 ( 3828 PWs) bands (ev): -18.5770 -18.5770 -5.5138 -5.5138 -4.1742 -4.1742 -3.6588 -3.6588 -3.0875 -3.0875 -2.7306 -2.7306 3.9931 3.9931 4.3712 4.3712 5.6299 5.6299 5.7673 5.7673 5.8438 5.8438 5.9241 5.9241 7.1380 7.1380 7.1492 7.1492 7.3514 7.3514 7.3604 7.3604 7.4469 7.4469 7.4764 7.4764 8.6092 8.6092 8.6733 8.6733 8.7237 8.7237 9.1592 9.1592 10.7503 10.7503 11.6888 11.6888 12.6681 12.6681 12.8983 12.8983 k = 0.0000 0.6853 0.6288 ( 3824 PWs) bands (ev): -18.5770 -18.5770 -5.5139 -5.5139 -4.1742 -4.1742 -3.6582 -3.6582 -3.0878 -3.0878 -2.7308 -2.7308 3.9942 3.9942 4.3697 4.3697 5.6316 5.6316 5.7668 5.7668 5.8427 5.8427 5.9244 5.9244 7.1408 7.1408 7.1466 7.1466 7.3548 7.3548 7.3569 7.3569 7.4467 7.4467 7.4762 7.4762 8.6393 8.6393 8.6434 8.6434 8.7223 8.7223 9.1584 9.1584 10.7523 10.7523 11.6954 11.6954 12.6652 12.6652 12.8966 12.8966 k = 0.0000 0.6853 0.6288 ( 3824 PWs) bands (ev): -18.5770 -18.5770 -5.5139 -5.5139 -4.1742 -4.1742 -3.6582 -3.6582 -3.0878 -3.0878 -2.7308 -2.7308 3.9942 3.9942 4.3697 4.3697 5.6316 5.6316 5.7668 5.7668 5.8427 5.8427 5.9244 5.9244 7.1408 7.1408 7.1466 7.1466 7.3548 7.3548 7.3569 7.3569 7.4467 7.4467 7.4762 7.4762 8.6393 8.6393 8.6434 8.6434 8.7223 8.7223 9.1584 9.1584 10.7523 10.7523 11.6954 11.6954 12.6652 12.6652 12.8966 12.8966 k = 0.0064 0.6705 0.6449 ( 3822 PWs) bands (ev): -18.5770 -18.5770 -5.5136 -5.5136 -4.1739 -4.1739 -3.6578 -3.6578 -3.0884 -3.0884 -2.7315 -2.7315 3.9950 3.9950 4.3687 4.3687 5.6308 5.6308 5.7669 5.7669 5.8422 5.8422 5.9243 5.9243 7.1396 7.1396 7.1465 7.1465 7.3521 7.3521 7.3594 7.3594 7.4471 7.4471 7.4766 7.4766 8.6241 8.6241 8.6478 8.6478 8.7297 8.7297 9.1525 9.1525 10.7570 10.7570 11.7050 11.7050 12.6571 12.6571 12.8977 12.8977 k = 0.0128 0.6557 0.6610 ( 3828 PWs) bands (ev): -18.5767 -18.5767 -5.5129 -5.5129 -4.1732 -4.1732 -3.6565 -3.6565 -3.0899 -3.0899 -2.7336 -2.7336 3.9977 3.9977 4.3655 4.3655 5.6285 5.6285 5.7671 5.7671 5.8405 5.8405 5.9242 5.9242 7.1363 7.1363 7.1455 7.1455 7.3483 7.3483 7.3624 7.3624 7.4482 7.4482 7.4780 7.4780 8.5980 8.5980 8.6477 8.6477 8.7459 8.7459 9.1351 9.1351 10.7707 10.7707 11.7336 11.7336 12.6344 12.6344 12.9002 12.9002 k = 0.0192 0.6409 0.6772 ( 3828 PWs) bands (ev): -18.5763 -18.5763 -5.5116 -5.5116 -4.1720 -4.1720 -3.6543 -3.6543 -3.0926 -3.0926 -2.7372 -2.7372 4.0020 4.0020 4.3603 4.3603 5.6246 5.6246 5.7673 5.7673 5.8374 5.8374 5.9247 5.9247 7.1316 7.1316 7.1435 7.1435 7.3441 7.3441 7.3649 7.3649 7.4501 7.4501 7.4802 7.4802 8.5668 8.5668 8.6442 8.6442 8.7635 8.7635 9.1080 9.1080 10.7929 10.7929 11.7804 11.7804 12.6006 12.6006 12.9028 12.9028 k = 0.0256 0.6261 0.6933 ( 3830 PWs) bands (ev): -18.5758 -18.5758 -5.5098 -5.5098 -4.1702 -4.1702 -3.6512 -3.6512 -3.0962 -3.0962 -2.7421 -2.7421 4.0080 4.0080 4.3530 4.3530 5.6192 5.6192 5.7674 5.7674 5.8323 5.8323 5.9263 5.9263 7.1256 7.1256 7.1403 7.1403 7.3394 7.3394 7.3667 7.3667 7.4529 7.4529 7.4833 7.4833 8.5328 8.5328 8.6379 8.6379 8.7793 8.7793 9.0734 9.0734 10.8225 10.8225 11.8442 11.8442 12.5590 12.5590 12.9048 12.9048 k = 0.0321 0.6113 0.7094 ( 3828 PWs) bands (ev): -18.5751 -18.5751 -5.5075 -5.5075 -4.1679 -4.1679 -3.6473 -3.6473 -3.1008 -3.1008 -2.7483 -2.7483 4.0155 4.0155 4.3439 4.3439 5.6123 5.6123 5.7667 5.7667 5.8250 5.8250 5.9298 5.9298 7.1188 7.1188 7.1362 7.1362 7.3340 7.3340 7.3677 7.3677 7.4568 7.4568 7.4873 7.4873 8.4972 8.4972 8.6283 8.6283 8.7918 8.7918 9.0342 9.0342 10.8588 10.8588 11.9237 11.9237 12.5125 12.5125 12.9069 12.9069 k = 0.0385 0.5965 0.7255 ( 3828 PWs) bands (ev): -18.5743 -18.5743 -5.5048 -5.5048 -4.1651 -4.1651 -3.6426 -3.6426 -3.1064 -3.1064 -2.7559 -2.7559 4.0244 4.0244 4.3330 4.3330 5.6040 5.6040 5.7647 5.7647 5.8161 5.8161 5.9354 5.9354 7.1111 7.1111 7.1311 7.1311 7.3276 7.3276 7.3678 7.3678 7.4615 7.4615 7.4921 7.4921 8.4607 8.4607 8.6146 8.6146 8.8004 8.8004 8.9935 8.9935 10.9011 10.9011 12.0169 12.0169 12.4631 12.4631 12.9103 12.9103 k = 0.0449 0.5817 0.7416 ( 3830 PWs) bands (ev): -18.5733 -18.5733 -5.5017 -5.5017 -4.1618 -4.1618 -3.6371 -3.6371 -3.1128 -3.1128 -2.7648 -2.7648 4.0344 4.0344 4.3204 4.3204 5.5943 5.5943 5.7597 5.7597 5.8070 5.8070 5.9432 5.9432 7.1028 7.1028 7.1254 7.1254 7.3201 7.3201 7.3670 7.3670 7.4670 7.4670 7.4978 7.4978 8.4238 8.4238 8.5958 8.5958 8.8045 8.8045 8.9543 8.9543 10.9490 10.9490 12.1218 12.1218 12.4124 12.4124 12.9164 12.9164 k = 0.0513 0.5669 0.7578 ( 3828 PWs) bands (ev): -18.5722 -18.5722 -5.4982 -5.4982 -4.1579 -4.1579 -3.6308 -3.6308 -3.1201 -3.1201 -2.7749 -2.7749 4.0455 4.0455 4.3063 4.3063 5.5833 5.5833 5.7501 5.7501 5.7998 5.7998 5.9531 5.9531 7.0940 7.0940 7.1193 7.1193 7.3115 7.3115 7.3652 7.3652 7.4730 7.4730 7.5043 7.5043 8.3868 8.3868 8.5711 8.5711 8.8039 8.8039 8.9190 8.9190 11.0022 11.0022 12.2352 12.2352 12.3627 12.3627 12.9262 12.9262 k = 0.0577 0.5521 0.7739 ( 3826 PWs) bands (ev): -18.5710 -18.5710 -5.4944 -5.4944 -4.1534 -4.1534 -3.6237 -3.6237 -3.1282 -3.1282 -2.7862 -2.7862 4.0574 4.0574 4.2908 4.2908 5.5709 5.5709 5.7352 5.7352 5.7953 5.7953 5.9649 5.9649 7.0848 7.0848 7.1128 7.1128 7.3019 7.3019 7.3622 7.3622 7.4795 7.4795 7.5114 7.5114 8.3502 8.3502 8.5405 8.5405 8.7984 8.7984 8.8892 8.8892 11.0605 11.0605 12.3018 12.3018 12.3681 12.3681 12.9408 12.9408 k = 0.0641 0.5373 0.7900 ( 3822 PWs) bands (ev): -18.5697 -18.5697 -5.4903 -5.4903 -4.1482 -4.1482 -3.6160 -3.6160 -3.1370 -3.1370 -2.7987 -2.7987 4.0698 4.0698 4.2742 4.2742 5.5573 5.5573 5.7162 5.7162 5.7927 5.7927 5.9784 5.9784 7.0754 7.0754 7.1063 7.1063 7.2913 7.2913 7.3581 7.3581 7.4861 7.4861 7.5191 7.5191 8.3139 8.3139 8.5046 8.5046 8.7884 8.7884 8.8650 8.8650 11.1239 11.1239 12.2570 12.2570 12.4911 12.4911 12.9607 12.9607 k = 0.0705 0.5226 0.8061 ( 3824 PWs) bands (ev): -18.5682 -18.5682 -5.4859 -5.4859 -4.1425 -4.1425 -3.6076 -3.6076 -3.1464 -3.1464 -2.8123 -2.8123 4.0824 4.0824 4.2567 4.2567 5.5424 5.5424 5.6945 5.6945 5.7911 5.7911 5.9935 5.9935 7.0659 7.0659 7.0998 7.0998 7.2800 7.2800 7.3527 7.3527 7.4929 7.4929 7.5272 7.5272 8.2784 8.2784 8.4649 8.4649 8.7747 8.7747 8.8451 8.8451 11.1923 11.1923 12.2098 12.2098 12.6201 12.6201 12.9861 12.9861 k = 0.0769 0.5078 0.8223 ( 3826 PWs) bands (ev): -18.5667 -18.5667 -5.4814 -5.4814 -4.1360 -4.1360 -3.5986 -3.5986 -3.1563 -3.1563 -2.8270 -2.8270 4.0948 4.0948 4.2383 4.2383 5.5263 5.5263 5.6714 5.6714 5.7897 5.7897 6.0099 6.0099 7.0564 7.0564 7.0934 7.0934 7.2681 7.2681 7.3460 7.3460 7.4996 7.4996 7.5356 7.5356 8.2436 8.2436 8.4230 8.4230 8.7584 8.7584 8.8277 8.8277 11.2656 11.2656 12.1645 12.1645 12.7455 12.7455 13.0173 13.0173 k = 0.0833 0.4930 0.8384 ( 3824 PWs) bands (ev): -18.5650 -18.5650 -5.4768 -5.4768 -4.1288 -4.1288 -3.5890 -3.5890 -3.1667 -3.1667 -2.8427 -2.8427 4.1068 4.1068 4.2194 4.2194 5.5091 5.5091 5.6475 5.6475 5.7881 5.7881 6.0276 6.0276 7.0470 7.0470 7.0871 7.0871 7.2557 7.2557 7.3380 7.3380 7.5062 7.5062 7.5441 7.5441 8.2097 8.2097 8.3806 8.3806 8.7400 8.7400 8.8114 8.8114 11.3436 11.3436 12.1218 12.1218 12.8550 12.8550 13.0541 13.0541 k = 0.0897 0.4782 0.8545 ( 3824 PWs) bands (ev): -18.5633 -18.5633 -5.4720 -5.4720 -4.1209 -4.1209 -3.5789 -3.5789 -3.1775 -3.1775 -2.8594 -2.8594 4.1178 4.1178 4.2002 4.2002 5.4910 5.4910 5.6236 5.6236 5.7861 5.7861 6.0464 6.0464 7.0378 7.0378 7.0810 7.0810 7.2431 7.2431 7.3287 7.3287 7.5125 7.5125 7.5526 7.5526 8.1768 8.1768 8.3389 8.3389 8.7198 8.7198 8.7951 8.7951 11.4260 11.4260 12.0823 12.0823 12.9236 12.9236 13.0964 13.0964 k = 0.0962 0.4634 0.8706 ( 3822 PWs) bands (ev): -18.5615 -18.5615 -5.4673 -5.4673 -4.1122 -4.1122 -3.5683 -3.5683 -3.1886 -3.1886 -2.8771 -2.8771 4.1273 4.1273 4.1809 4.1809 5.4721 5.4721 5.6002 5.6002 5.7835 5.7835 6.0663 6.0663 7.0290 7.0290 7.0750 7.0750 7.2305 7.2305 7.3182 7.3182 7.5186 7.5186 7.5610 7.5610 8.1449 8.1449 8.2986 8.2986 8.6979 8.6979 8.7786 8.7786 11.5124 11.5124 12.0462 12.0462 12.9285 12.9285 13.1428 13.1428 k = 0.1026 0.4486 0.8868 ( 3828 PWs) bands (ev): -18.5597 -18.5597 -5.4626 -5.4626 -4.1026 -4.1026 -3.5574 -3.5574 -3.1999 -3.1999 -2.8956 -2.8956 4.1344 4.1344 4.1625 4.1625 5.4526 5.4526 5.5779 5.5779 5.7803 5.7803 6.0871 6.0871 7.0204 7.0204 7.0693 7.0693 7.2180 7.2180 7.3066 7.3066 7.5243 7.5243 7.5691 7.5691 8.1140 8.1140 8.2604 8.2604 8.6745 8.6745 8.7613 8.7613 11.6021 11.6021 12.0139 12.0139 12.8867 12.8867 13.1932 13.1932 k = 0.1090 0.4338 0.9029 ( 3828 PWs) bands (ev): -18.5578 -18.5578 -5.4581 -5.4581 -4.0922 -4.0922 -3.5461 -3.5461 -3.2113 -3.2113 -2.9150 -2.9150 4.1336 4.1336 4.1502 4.1502 5.4326 5.4326 5.5573 5.5573 5.7763 5.7763 6.1087 6.1087 7.0123 7.0123 7.0637 7.0637 7.2056 7.2056 7.2941 7.2941 7.5296 7.5296 7.5769 7.5769 8.0842 8.0842 8.2245 8.2245 8.6501 8.6501 8.7431 8.7431 11.6939 11.6939 11.9861 11.9861 12.8268 12.8268 13.2476 13.2476 k = 0.1154 0.4190 0.9190 ( 3834 PWs) bands (ev): -18.5559 -18.5559 -5.4536 -5.4536 -4.0808 -4.0808 -3.5345 -3.5345 -3.2228 -3.2228 -2.9352 -2.9352 4.1186 4.1186 4.1499 4.1499 5.4125 5.4125 5.5386 5.5386 5.7716 5.7716 6.1311 6.1311 7.0047 7.0047 7.0581 7.0581 7.1936 7.1936 7.2809 7.2809 7.5344 7.5344 7.5843 7.5843 8.0554 8.0554 8.1908 8.1908 8.6249 8.6249 8.7236 8.7236 11.7855 11.7855 11.9638 11.9638 12.7633 12.7633 13.3051 13.3051 k = 0.1218 0.4042 0.9351 ( 3834 PWs) bands (ev): -18.5540 -18.5540 -5.4494 -5.4494 -4.0685 -4.0685 -3.5228 -3.5228 -3.2344 -3.2344 -2.9562 -2.9562 4.1006 4.1006 4.1505 4.1505 5.3923 5.3923 5.5224 5.5224 5.7661 5.7661 6.1542 6.1542 6.9977 6.9977 7.0526 7.0526 7.1819 7.1819 7.2673 7.2673 7.5387 7.5387 7.5913 7.5913 8.0278 8.0278 8.1593 8.1593 8.5995 8.5995 8.7029 8.7029 11.8686 11.8686 11.9542 11.9542 12.7029 12.7029 13.3649 13.3649 k = 0.1282 0.3894 0.9512 ( 3836 PWs) bands (ev): -18.5520 -18.5520 -5.4454 -5.4454 -4.0551 -4.0551 -3.5109 -3.5109 -3.2460 -3.2460 -2.9778 -2.9778 4.0826 4.0826 4.1490 4.1490 5.3722 5.3722 5.5091 5.5091 5.7599 5.7599 6.1778 6.1778 6.9914 6.9914 7.0471 7.0471 7.1705 7.1705 7.2536 7.2536 7.5426 7.5426 7.5979 7.5979 8.0012 8.0012 8.1297 8.1297 8.5743 8.5743 8.6809 8.6809 11.9022 11.9022 11.9957 11.9957 12.6497 12.6497 13.4258 13.4258 k = 0.1346 0.3746 0.9674 ( 3834 PWs) bands (ev): -18.5501 -18.5501 -5.4417 -5.4417 -4.0407 -4.0407 -3.4990 -3.4990 -3.2576 -3.2576 -3.0000 -3.0000 4.0650 4.0650 4.1448 4.1448 5.3521 5.3521 5.4989 5.4989 5.7530 5.7530 6.2021 6.2021 6.9858 6.9858 7.0415 7.0415 7.1593 7.1593 7.2404 7.2404 7.5459 7.5459 7.6039 7.6039 7.9757 7.9757 8.1017 8.1017 8.5495 8.5495 8.6577 8.6577 11.8982 11.8982 12.0723 12.0723 12.6078 12.6078 13.4863 13.4863 k = 0.1410 0.3598 0.9835 ( 3834 PWs) bands (ev): -18.5481 -18.5481 -5.4383 -5.4383 -4.0253 -4.0253 -3.4872 -3.4872 -3.2693 -3.2693 -3.0226 -3.0226 4.0481 4.0481 4.1378 4.1378 5.3322 5.3322 5.4921 5.4921 5.7454 5.7454 6.2268 6.2268 6.9808 6.9808 7.0359 7.0359 7.1481 7.1481 7.2280 7.2280 7.5489 7.5489 7.6095 7.6095 7.9511 7.9511 8.0749 8.0749 8.5256 8.5256 8.6335 8.6335 11.8922 11.8922 12.1424 12.1424 12.5825 12.5825 13.5436 13.5436 k = 0.1474 0.3450 0.9996 ( 3836 PWs) bands (ev): -18.5462 -18.5462 -5.4352 -5.4352 -4.0087 -4.0087 -3.4754 -3.4754 -3.2810 -3.2810 -3.0455 -3.0455 4.0320 4.0320 4.1282 4.1282 5.3124 5.3124 5.4889 5.4889 5.7372 5.7372 6.2519 6.2519 6.9766 6.9766 7.0302 7.0302 7.1365 7.1365 7.2169 7.2169 7.5514 7.5514 7.6145 7.6145 7.9274 7.9274 8.0489 8.0489 8.5029 8.5029 8.6085 8.6085 11.8891 11.8891 12.1930 12.1930 12.5804 12.5804 13.5933 13.5933 k = 0.1538 0.3302 1.0157 ( 3838 PWs) bands (ev): -18.5444 -18.5444 -5.4325 -5.4325 -3.9910 -3.9910 -3.4639 -3.4639 -3.2929 -3.2929 -3.0686 -3.0686 4.0169 4.0169 4.1162 4.1162 5.2928 5.2928 5.4890 5.4890 5.7284 5.7284 6.2774 6.2774 6.9730 6.9730 7.0246 7.0246 7.1245 7.1245 7.2074 7.2074 7.5535 7.5535 7.6191 7.6191 7.9046 7.9046 8.0233 8.0233 8.4814 8.4814 8.5830 8.5830 11.8898 11.8898 12.2185 12.2185 12.6045 12.6045 13.6277 13.6277 k = 0.1603 0.3154 1.0319 ( 3834 PWs) bands (ev): -18.5426 -18.5426 -5.4301 -5.4301 -3.9722 -3.9722 -3.4526 -3.4526 -3.3052 -3.3052 -3.0915 -3.0915 4.0026 4.0026 4.1023 4.1023 5.2735 5.2735 5.4923 5.4923 5.7194 5.7194 6.3032 6.3032 6.9701 6.9701 7.0192 7.0192 7.1119 7.1119 7.1997 7.1997 7.5554 7.5554 7.6232 7.6232 7.8826 7.8826 7.9977 7.9977 8.4615 8.4615 8.5575 8.5575 11.8944 11.8944 12.2232 12.2232 12.6478 12.6478 13.6364 13.6364 k = 0.1667 0.3006 1.0480 ( 3832 PWs) bands (ev): -18.5409 -18.5409 -5.4280 -5.4280 -3.9524 -3.9524 -3.4416 -3.4416 -3.3179 -3.3179 -3.1141 -3.1141 3.9893 3.9893 4.0867 4.0867 5.2545 5.2545 5.4984 5.4984 5.7100 5.7100 6.3292 6.3292 6.9678 6.9678 7.0141 7.0141 7.0988 7.0988 7.1938 7.1938 7.5571 7.5571 7.6268 7.6268 7.8614 7.8614 7.9718 7.9718 8.4433 8.4433 8.5325 8.5325 11.9031 11.9031 12.2165 12.2165 12.6985 12.6985 13.6121 13.6121 k = 0.1731 0.2859 1.0641 ( 3834 PWs) bands (ev): -18.5392 -18.5392 -5.4263 -5.4263 -3.9314 -3.9314 -3.4312 -3.4312 -3.3314 -3.3314 -3.1361 -3.1361 3.9769 3.9769 4.0701 4.0701 5.2361 5.2361 5.5069 5.5069 5.7006 5.7006 6.3554 6.3554 6.9659 6.9659 7.0095 7.0095 7.0855 7.0855 7.1893 7.1893 7.5586 7.5586 7.6299 7.6299 7.8410 7.8410 7.9453 7.9453 8.4267 8.4267 8.5083 8.5083 11.9157 11.9157 12.2055 12.2055 12.7470 12.7470 13.5587 13.5587 k = 0.1795 0.2711 1.0802 ( 3830 PWs) bands (ev): -18.5376 -18.5376 -5.4248 -5.4248 -3.9093 -3.9093 -3.4212 -3.4212 -3.3459 -3.3459 -3.1569 -3.1569 3.9655 3.9655 4.0530 4.0530 5.2183 5.2183 5.5172 5.5172 5.6911 5.6911 6.3816 6.3816 6.9642 6.9642 7.0055 7.0055 7.0723 7.0723 7.1861 7.1861 7.5602 7.5602 7.6326 7.6326 7.8213 7.8213 7.9181 7.9181 8.4118 8.4118 8.4853 8.4853 11.9323 11.9323 12.1942 12.1942 12.7879 12.7879 13.4870 13.4870 k = 0.1859 0.2563 1.0963 ( 3828 PWs) bands (ev): -18.5362 -18.5362 -5.4237 -5.4237 -3.8862 -3.8862 -3.4120 -3.4120 -3.3618 -3.3618 -3.1763 -3.1763 3.9549 3.9549 4.0358 4.0358 5.2015 5.2015 5.5288 5.5288 5.6818 5.6818 6.4077 6.4077 6.9625 6.9625 7.0023 7.0023 7.0598 7.0598 7.1839 7.1839 7.5618 7.5618 7.6349 7.6349 7.8023 7.8023 7.8903 7.8903 8.3986 8.3986 8.4640 8.4640 11.9525 11.9525 12.1846 12.1846 12.8183 12.8183 13.4061 13.4061 k = 0.1923 0.2415 1.1125 ( 3824 PWs) bands (ev): -18.5348 -18.5348 -5.4228 -5.4228 -3.8621 -3.8621 -3.4037 -3.4037 -3.3789 -3.3789 -3.1939 -3.1939 3.9451 3.9451 4.0192 4.0192 5.1856 5.1856 5.5411 5.5411 5.6729 5.6729 6.4334 6.4334 6.9605 6.9605 6.9995 6.9995 7.0487 7.0487 7.1823 7.1823 7.5637 7.5637 7.6368 7.6368 7.7841 7.7841 7.8622 7.8622 8.3872 8.3872 8.4446 8.4446 11.9762 11.9762 12.1775 12.1775 12.8377 12.8377 13.3219 13.3219 k = 0.1987 0.2267 1.1286 ( 3824 PWs) bands (ev): -18.5336 -18.5336 -5.4221 -5.4221 -3.8372 -3.8372 -3.4026 -3.4026 -3.3914 -3.3914 -3.2094 -3.2094 3.9360 3.9360 4.0036 4.0036 5.1709 5.1709 5.5537 5.5537 5.6644 5.6644 6.4584 6.4584 6.9581 6.9581 6.9964 6.9964 7.0401 7.0401 7.1810 7.1810 7.5658 7.5658 7.6382 7.6382 7.7666 7.7666 7.8342 7.8342 8.3773 8.3773 8.4273 8.4273 12.0031 12.0031 12.1732 12.1732 12.8470 12.8470 13.2375 13.2375 k = 0.2051 0.2119 1.1447 ( 3818 PWs) bands (ev): -18.5325 -18.5325 -5.4216 -5.4216 -3.8113 -3.8113 -3.4216 -3.4216 -3.3866 -3.3866 -3.2227 -3.2227 3.9275 3.9275 3.9895 3.9895 5.1575 5.1575 5.5661 5.5661 5.6565 5.6565 6.4826 6.4826 6.9553 6.9553 6.9919 6.9919 7.0352 7.0352 7.1801 7.1801 7.5682 7.5682 7.6391 7.6391 7.7498 7.7498 7.8070 7.8070 8.3689 8.3689 8.4121 8.4121 12.0326 12.0326 12.1714 12.1714 12.8480 12.8480 13.1553 13.1553 k = 0.2115 0.1971 1.1608 ( 3814 PWs) bands (ev): -18.5315 -18.5315 -5.4212 -5.4212 -3.7848 -3.7848 -3.4444 -3.4444 -3.3805 -3.3805 -3.2338 -3.2338 3.9196 3.9196 3.9772 3.9772 5.1456 5.1456 5.5777 5.5777 5.6493 5.6493 6.5053 6.5053 6.9521 6.9521 6.9859 6.9859 7.0342 7.0342 7.1791 7.1791 7.5710 7.5710 7.6392 7.6392 7.7336 7.7336 7.7818 7.7818 8.3620 8.3620 8.3991 8.3991 12.0641 12.0641 12.1720 12.1720 12.8428 12.8428 13.0770 13.0770 k = 0.2179 0.1823 1.1770 ( 3816 PWs) bands (ev): -18.5306 -18.5306 -5.4210 -5.4210 -3.7577 -3.7577 -3.4690 -3.4690 -3.3751 -3.3751 -3.2427 -3.2427 3.9123 3.9123 3.9670 3.9670 5.1353 5.1353 5.5883 5.5883 5.6429 5.6429 6.5261 6.5261 6.9485 6.9485 6.9792 6.9792 7.0363 7.0363 7.1780 7.1780 7.5742 7.5742 7.6383 7.6383 7.7185 7.7185 7.7595 7.7595 8.3564 8.3564 8.3881 8.3881 12.0966 12.0966 12.1743 12.1743 12.8338 12.8338 13.0041 13.0041 k = 0.2244 0.1675 1.1931 ( 3816 PWs) bands (ev): -18.5299 -18.5299 -5.4208 -5.4208 -3.7301 -3.7301 -3.4948 -3.4948 -3.3705 -3.3705 -3.2497 -3.2497 3.9058 3.9058 3.9590 3.9590 5.1267 5.1267 5.5975 5.5975 5.6375 5.6375 6.5444 6.5444 6.9447 6.9447 6.9729 6.9729 7.0401 7.0401 7.1768 7.1768 7.5778 7.5778 7.6359 7.6359 7.7051 7.7051 7.7410 7.7410 8.3521 8.3521 8.3793 8.3793 12.1284 12.1284 12.1781 12.1781 12.8229 12.8229 12.9384 12.9384 k = 0.2308 0.1527 1.2092 ( 3812 PWs) bands (ev): -18.5294 -18.5294 -5.4207 -5.4207 -3.7024 -3.7024 -3.5214 -3.5214 -3.3669 -3.3669 -3.2550 -3.2550 3.9003 3.9003 3.9529 3.9529 5.1199 5.1199 5.6052 5.6052 5.6329 5.6329 6.5596 6.5596 6.9410 6.9410 6.9679 6.9679 7.0444 7.0444 7.1756 7.1756 7.5818 7.5818 7.6314 7.6314 7.6948 7.6948 7.7264 7.7264 8.3489 8.3489 8.3724 8.3724 12.1565 12.1565 12.1837 12.1837 12.8119 12.8119 12.8825 12.8825 k = 0.2372 0.1379 1.2253 ( 3814 PWs) bands (ev): -18.5290 -18.5290 -5.4207 -5.4207 -3.6751 -3.6751 -3.5479 -3.5479 -3.3643 -3.3643 -3.2586 -3.2586 3.8961 3.8961 3.9488 3.9488 5.1150 5.1150 5.6110 5.6110 5.6294 5.6294 6.5710 6.5710 6.9376 6.9376 6.9644 6.9644 7.0484 7.0484 7.1745 7.1745 7.5860 7.5860 7.6252 7.6252 7.6886 7.6886 7.7156 7.7156 8.3467 8.3467 8.3675 8.3675 12.1743 12.1743 12.1944 12.1944 12.8017 12.8017 12.8398 12.8398 k = 0.2436 0.1231 1.2415 ( 3810 PWs) bands (ev): -18.5288 -18.5288 -5.4207 -5.4207 -3.6502 -3.6502 -3.5725 -3.5725 -3.3628 -3.3628 -3.2608 -3.2608 3.8935 3.8935 3.9464 3.9464 5.1120 5.1120 5.6150 5.6150 5.6269 5.6269 6.5782 6.5782 6.9353 6.9353 6.9624 6.9624 7.0511 7.0511 7.1738 7.1738 7.5898 7.5898 7.6192 7.6192 7.6858 7.6858 7.7087 7.7087 8.3455 8.3455 8.3645 8.3645 12.1804 12.1804 12.2077 12.2077 12.7922 12.7922 12.8149 12.8149 k = 0.2500 0.1083 1.2576 ( 3812 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5856 -3.5856 -3.3623 -3.3623 -3.2615 -3.2615 3.8926 3.8926 3.9456 3.9456 5.1110 5.1110 5.6165 5.6165 5.6259 5.6259 6.5806 6.5806 6.9344 6.9344 6.9617 6.9617 7.0521 7.0521 7.1735 7.1735 7.5916 7.5916 7.6165 7.6165 7.6852 7.6852 7.7063 7.7063 8.3451 8.3451 8.3635 8.3635 12.1818 12.1818 12.2132 12.2132 12.7872 12.7872 12.8081 12.8081 k = 0.2500 0.1083 1.2576 ( 3812 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5856 -3.5856 -3.3623 -3.3623 -3.2615 -3.2615 3.8926 3.8926 3.9456 3.9456 5.1110 5.1110 5.6165 5.6165 5.6259 5.6259 6.5806 6.5806 6.9344 6.9344 6.9617 6.9617 7.0521 7.0521 7.1735 7.1735 7.5916 7.5916 7.6165 7.6165 7.6852 7.6852 7.7063 7.7063 8.3451 8.3451 8.3635 8.3635 12.1818 12.1818 12.2132 12.2132 12.7872 12.7872 12.8081 12.8081 k = 0.2692 0.1167 1.2485 ( 3816 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6395 -3.6395 -3.5831 -3.5831 -3.3625 -3.3625 -3.2613 -3.2613 3.8861 3.8861 3.9531 3.9531 5.1109 5.1109 5.5907 5.5907 5.6510 5.6510 6.5802 6.5802 6.9339 6.9339 6.9625 6.9625 7.0515 7.0515 7.1744 7.1744 7.5899 7.5899 7.6180 7.6180 7.6848 7.6848 7.7078 7.7078 8.3445 8.3445 8.3641 8.3641 12.0906 12.0906 12.3091 12.3091 12.7472 12.7472 12.8519 12.8519 k = 0.2885 0.1250 1.2394 ( 3818 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6459 -3.6459 -3.5766 -3.5766 -3.3631 -3.3631 -3.2606 -3.2606 3.8725 3.8725 3.9697 3.9697 5.1107 5.1107 5.5608 5.5608 5.6790 5.6790 6.5791 6.5791 6.9326 6.9326 6.9646 6.9646 7.0496 7.0496 7.1769 7.1769 7.5854 7.5854 7.6217 7.6217 7.6838 7.6838 7.7118 7.7118 8.3431 8.3431 8.3657 8.3657 11.9910 11.9910 12.4233 12.4233 12.7046 12.7046 12.9063 12.9063 k = 0.3077 0.1333 1.2303 ( 3824 PWs) bands (ev): -18.5288 -18.5288 -5.4207 -5.4207 -3.6544 -3.6544 -3.5680 -3.5680 -3.3643 -3.3643 -3.2596 -3.2596 3.8577 3.8577 3.9897 3.9897 5.1103 5.1103 5.5312 5.5312 5.7054 5.7054 6.5770 6.5770 6.9310 6.9310 6.9674 6.9674 7.0469 7.0469 7.1807 7.1807 7.5796 7.5796 7.6261 7.6261 7.6830 7.6830 7.7175 7.7175 8.3414 8.3414 8.3678 8.3678 11.8982 11.8982 12.5375 12.5375 12.6715 12.6715 12.9622 12.9622 k = 0.3269 0.1417 1.2212 ( 3826 PWs) bands (ev): -18.5289 -18.5289 -5.4207 -5.4207 -3.6638 -3.6638 -3.5583 -3.5583 -3.3660 -3.3660 -3.2580 -3.2580 3.8437 3.8437 4.0109 4.0109 5.1097 5.1097 5.5025 5.5025 5.7298 5.7298 6.5738 6.5738 6.9297 6.9297 6.9707 6.9707 7.0437 7.0437 7.1854 7.1854 7.5734 7.5734 7.6305 7.6305 7.6825 7.6825 7.7243 7.7243 8.3398 8.3398 8.3699 8.3699 11.8139 11.8139 12.6019 12.6019 12.6967 12.6967 13.0187 13.0187 k = 0.3462 0.1500 1.2122 ( 3829 PWs) bands (ev): -18.5290 -18.5290 -5.4207 -5.4207 -3.6738 -3.6738 -3.5481 -3.5481 -3.3682 -3.3682 -3.2561 -3.2561 3.8314 3.8314 4.0325 4.0325 5.1090 5.1090 5.4753 5.4753 5.7518 5.7518 6.5692 6.5692 6.9290 6.9290 6.9741 6.9741 7.0404 7.0404 7.1904 7.1904 7.5672 7.5672 7.6345 7.6345 7.6824 7.6824 7.7317 7.7317 8.3386 8.3386 8.3720 8.3720 11.7393 11.7393 12.5848 12.5848 12.8107 12.8107 13.0760 13.0760 k = 0.3654 0.1583 1.2031 ( 3827 PWs) bands (ev): -18.5291 -18.5291 -5.4207 -5.4207 -3.6840 -3.6840 -3.5376 -3.5376 -3.3708 -3.3708 -3.2537 -3.2537 3.8212 3.8212 4.0537 4.0537 5.1081 5.1081 5.4499 5.4499 5.7713 5.7713 6.5633 6.5633 6.9291 6.9291 6.9775 6.9775 7.0372 7.0372 7.1954 7.1954 7.5613 7.5613 7.6379 7.6379 7.6828 7.6828 7.7392 7.7392 8.3378 8.3378 8.3740 8.3740 11.6751 11.6751 12.5616 12.5616 12.9354 12.9354 13.1350 13.1350 k = 0.3846 0.1667 1.1940 ( 3827 PWs) bands (ev): -18.5293 -18.5293 -5.4207 -5.4207 -3.6942 -3.6942 -3.5271 -3.5271 -3.3739 -3.3739 -3.2510 -3.2510 3.8132 3.8132 4.0742 4.0742 5.1073 5.1073 5.4271 5.4271 5.7879 5.7879 6.5559 6.5559 6.9301 6.9301 6.9808 6.9808 7.0343 7.0343 7.1998 7.1998 7.5559 7.5559 7.6406 7.6406 7.6836 7.6836 7.7464 7.7464 8.3376 8.3376 8.3758 8.3758 11.6221 11.6221 12.5417 12.5417 13.0536 13.0536 13.2018 13.2018 k = 0.4038 0.1750 1.1849 ( 3834 PWs) bands (ev): -18.5295 -18.5295 -5.4207 -5.4207 -3.7044 -3.7044 -3.5165 -3.5165 -3.3774 -3.3774 -3.2480 -3.2480 3.8078 3.8078 4.0932 4.0932 5.1066 5.1066 5.4071 5.4071 5.8014 5.8014 6.5471 6.5471 6.9320 6.9320 6.9837 6.9837 7.0320 7.0320 7.2035 7.2035 7.5511 7.5511 7.6428 7.6428 7.6850 7.6850 7.7528 7.7528 8.3380 8.3380 8.3773 8.3773 11.5806 11.5806 12.5267 12.5267 13.1464 13.1464 13.2922 13.2922 k = 0.4231 0.1833 1.1758 ( 3833 PWs) bands (ev): -18.5297 -18.5297 -5.4207 -5.4207 -3.7145 -3.7145 -3.5061 -3.5061 -3.3810 -3.3810 -3.2446 -3.2446 3.8048 3.8048 4.1105 4.1105 5.1061 5.1061 5.3905 5.3905 5.8119 5.8119 6.5370 6.5370 6.9347 6.9347 6.9863 6.9863 7.0304 7.0304 7.2062 7.2062 7.5470 7.5470 7.6445 7.6445 7.6868 7.6868 7.7585 7.7585 8.3390 8.3390 8.3786 8.3786 11.5506 11.5506 12.5171 12.5171 13.2053 13.2053 13.4119 13.4119 k = 0.4423 0.1917 1.1668 ( 3832 PWs) bands (ev): -18.5299 -18.5299 -5.4207 -5.4207 -3.7246 -3.7246 -3.4958 -3.4958 -3.3848 -3.3848 -3.2409 -3.2409 3.8043 3.8043 4.1256 4.1256 5.1060 5.1060 5.3777 5.3777 5.8191 5.8191 6.5258 6.5258 6.9380 6.9380 6.9885 6.9885 7.0296 7.0296 7.2077 7.2077 7.5435 7.5435 7.6459 7.6459 7.6891 7.6891 7.7631 7.7631 8.3409 8.3409 8.3798 8.3798 11.5318 11.5318 12.5134 12.5134 13.2427 13.2427 13.5458 13.5458 k = 0.4615 0.2000 1.1577 ( 3836 PWs) bands (ev): -18.5302 -18.5302 -5.4207 -5.4207 -3.7347 -3.7347 -3.4860 -3.4860 -3.3885 -3.3885 -3.2370 -3.2370 3.8063 3.8063 4.1380 4.1380 5.1064 5.1064 5.3688 5.3688 5.8230 5.8230 6.5136 6.5136 6.9418 6.9418 6.9903 6.9903 7.0295 7.0295 7.2079 7.2079 7.5407 7.5407 7.6469 7.6469 7.6921 7.6921 7.7668 7.7668 8.3437 8.3437 8.3807 8.3807 11.5239 11.5239 12.5160 12.5160 13.2656 13.2656 13.6842 13.6842 k = 0.4808 0.2083 1.1486 ( 3830 PWs) bands (ev): -18.5305 -18.5305 -5.4207 -5.4207 -3.7446 -3.7446 -3.4766 -3.4766 -3.3921 -3.3921 -3.2329 -3.2329 3.8107 3.8107 4.1475 4.1475 5.1077 5.1077 5.3640 5.3640 5.8233 5.8233 6.5007 6.5007 6.9460 6.9460 6.9917 6.9917 7.0302 7.0302 7.2070 7.2070 7.5386 7.5386 7.6477 7.6477 7.6956 7.6956 7.7697 7.7697 8.3474 8.3474 8.3815 8.3815 11.5258 11.5258 12.5252 12.5252 13.2759 13.2759 13.8216 13.8216 k = 0.5000 0.2167 1.1395 ( 3828 PWs) bands (ev): -18.5308 -18.5308 -5.4207 -5.4207 -3.7546 -3.7546 -3.4681 -3.4681 -3.3951 -3.3951 -3.2285 -3.2285 3.8172 3.8172 4.1539 4.1539 5.1099 5.1099 5.3635 5.3635 5.8202 5.8202 6.4875 6.4875 6.9502 6.9502 6.9930 6.9930 7.0316 7.0316 7.2049 7.2049 7.5370 7.5370 7.6483 7.6483 7.6998 7.6998 7.7720 7.7720 8.3517 8.3517 8.3824 8.3824 11.5368 11.5368 12.5413 12.5413 13.2741 13.2741 13.9289 13.9289 k = 0.5000 0.2167 1.1395 ( 3828 PWs) bands (ev): -18.5308 -18.5308 -5.4207 -5.4207 -3.7546 -3.7546 -3.4681 -3.4681 -3.3951 -3.3951 -3.2285 -3.2285 3.8172 3.8172 4.1539 4.1539 5.1099 5.1099 5.3635 5.3635 5.8202 5.8202 6.4875 6.4875 6.9502 6.9502 6.9930 6.9930 7.0316 7.0316 7.2049 7.2049 7.5370 7.5370 7.6483 7.6483 7.6998 7.6998 7.7720 7.7720 8.3517 8.3517 8.3824 8.3824 11.5368 11.5368 12.5413 12.5413 13.2741 13.2741 13.9289 13.9289 k = 0.5000 0.2167 1.1167 ( 3832 PWs) bands (ev): -18.5317 -18.5317 -5.4206 -5.4206 -3.7791 -3.7791 -3.4525 -3.4525 -3.3989 -3.3989 -3.2157 -3.2157 3.8379 3.8379 4.1671 4.1671 5.1172 5.1172 5.3679 5.3679 5.8069 5.8069 6.4524 6.4524 6.9593 6.9593 6.9965 6.9965 7.0369 7.0369 7.1982 7.1982 7.5338 7.5338 7.6494 7.6494 7.7122 7.7122 7.7783 7.7783 8.3631 8.3631 8.3859 8.3859 11.5771 11.5771 12.5944 12.5944 13.2534 13.2534 13.9389 13.9389 k = 0.5000 0.2167 1.0939 ( 3828 PWs) bands (ev): -18.5327 -18.5327 -5.4206 -5.4206 -3.8026 -3.8026 -3.4516 -3.4516 -3.3917 -3.3917 -3.2001 -3.2001 3.8617 3.8617 4.1827 4.1827 5.1255 5.1255 5.3729 5.3729 5.7916 5.7916 6.4144 6.4144 6.9649 6.9649 7.0020 7.0020 7.0449 7.0449 7.1911 7.1911 7.5310 7.5310 7.6499 7.6499 7.7267 7.7267 7.7861 7.7861 8.3713 8.3713 8.3947 8.3947 11.6221 11.6221 12.6558 12.6558 13.2293 13.2293 13.9410 13.9410 k = 0.5000 0.2167 1.0711 ( 3832 PWs) bands (ev): -18.5339 -18.5339 -5.4205 -5.4205 -3.8251 -3.8251 -3.4629 -3.4629 -3.3759 -3.3759 -3.1818 -3.1818 3.8884 3.8884 4.2005 4.2005 5.1346 5.1346 5.3786 5.3786 5.7747 5.7747 6.3742 6.3742 6.9669 6.9669 7.0093 7.0093 7.0552 7.0552 7.1838 7.1838 7.5285 7.5285 7.6500 7.6500 7.7429 7.7429 7.7957 7.7957 8.3751 8.3751 8.4097 8.4097 11.6705 11.6705 12.7251 12.7251 13.2019 13.2019 13.9227 13.9227 k = 0.5000 0.2167 1.0484 ( 3830 PWs) bands (ev): -18.5352 -18.5352 -5.4203 -5.4203 -3.8465 -3.8465 -3.4800 -3.4800 -3.3581 -3.3581 -3.1608 -3.1608 3.9176 3.9176 4.2205 4.2205 5.1444 5.1444 5.3849 5.3849 5.7565 5.7565 6.3322 6.3322 6.9666 6.9666 7.0176 7.0176 7.0669 7.0669 7.1771 7.1771 7.5266 7.5266 7.6499 7.6499 7.7605 7.7605 7.8070 7.8070 8.3769 8.3769 8.4283 8.4283 11.7207 11.7207 12.8015 12.8015 13.1713 13.1713 13.8948 13.8948 k = 0.5000 0.2167 1.0256 ( 3830 PWs) bands (ev): -18.5367 -18.5367 -5.4201 -5.4201 -3.8668 -3.8668 -3.5001 -3.5001 -3.3404 -3.3404 -3.1376 -3.1376 3.9491 3.9491 4.2428 4.2428 5.1546 5.1546 5.3917 5.3917 5.7373 5.7373 6.2891 6.2891 6.9652 6.9652 7.0262 7.0262 7.0787 7.0787 7.1719 7.1719 7.5251 7.5251 7.6496 7.6496 7.7794 7.7794 7.8203 7.8203 8.3780 8.3780 8.4492 8.4492 11.7709 11.7709 12.8840 12.8840 13.1379 13.1379 13.8633 13.8633 k = 0.5000 0.2167 1.0028 ( 3834 PWs) bands (ev): -18.5383 -18.5383 -5.4197 -5.4197 -3.8861 -3.8861 -3.5223 -3.5223 -3.3234 -3.3234 -3.1126 -3.1126 3.9826 3.9826 4.2673 4.2673 5.1649 5.1649 5.3989 5.3989 5.7176 5.7176 6.2453 6.2453 6.9633 6.9633 7.0348 7.0348 7.0888 7.0888 7.1698 7.1698 7.5241 7.5241 7.6492 7.6492 7.7997 7.7997 7.8355 7.8355 8.3789 8.3789 8.4717 8.4717 11.8189 11.8189 12.9707 12.9707 13.1031 13.1031 13.8309 13.8309 k = 0.5000 0.2167 0.9800 ( 3834 PWs) bands (ev): -18.5400 -18.5400 -5.4193 -5.4193 -3.9042 -3.9042 -3.5460 -3.5460 -3.3071 -3.3071 -3.0862 -3.0862 4.0176 4.0176 4.2939 4.2939 5.1751 5.1751 5.4064 5.4064 5.6979 5.6979 6.2013 6.2013 6.9617 6.9617 7.0427 7.0427 7.0960 7.0960 7.1725 7.1725 7.5236 7.5236 7.6488 7.6488 7.8212 7.8212 7.8526 7.8526 8.3798 8.3798 8.4958 8.4958 11.8622 11.8622 13.0386 13.0386 13.0888 13.0888 13.8004 13.8004 k = 0.5000 0.2167 0.9572 ( 3830 PWs) bands (ev): -18.5419 -18.5419 -5.4187 -5.4187 -3.9213 -3.9213 -3.5709 -3.5709 -3.2914 -3.2914 -3.0590 -3.0590 4.0539 4.0539 4.3226 4.3226 5.1847 5.1847 5.4142 5.4142 5.6787 5.6787 6.1574 6.1574 6.9606 6.9606 7.0488 7.0488 7.1005 7.1005 7.1807 7.1807 7.5237 7.5237 7.6484 7.6484 7.8441 7.8441 7.8715 7.8715 8.3806 8.3806 8.5214 8.5214 11.8983 11.8983 13.0116 13.0116 13.1698 13.1698 13.7750 13.7750 k = 0.5000 0.2167 0.9344 ( 3828 PWs) bands (ev): -18.5438 -18.5438 -5.4180 -5.4180 -3.9375 -3.9375 -3.5967 -3.5967 -3.2760 -3.2760 -3.0314 -3.0314 4.0909 4.0909 4.3534 4.3534 5.1932 5.1932 5.4220 5.4220 5.6609 5.6609 6.1142 6.1142 6.9600 6.9600 7.0515 7.0515 7.1047 7.1047 7.1934 7.1934 7.5243 7.5243 7.6480 7.6480 7.8681 7.8681 7.8924 7.8924 8.3813 8.3813 8.5484 8.5484 11.9245 11.9245 12.9679 12.9679 13.2664 13.2664 13.7579 13.7579 k = 0.5000 0.2167 0.9116 ( 3840 PWs) bands (ev): -18.5459 -18.5459 -5.4170 -5.4170 -3.9529 -3.9529 -3.6229 -3.6229 -3.2609 -3.2609 -3.0038 -3.0038 4.1283 4.1283 4.3863 4.3863 5.2000 5.2000 5.4298 5.4298 5.6452 5.6452 6.0719 6.0719 6.9602 6.9602 7.0500 7.0500 7.1113 7.1113 7.2089 7.2089 7.5254 7.5254 7.6477 7.6477 7.8934 7.8934 7.9148 7.9148 8.3821 8.3821 8.5768 8.5768 11.9385 11.9385 12.9202 12.9202 13.3639 13.3639 13.7524 13.7524 k = 0.5000 0.2167 0.8888 ( 3838 PWs) bands (ev): -18.5481 -18.5481 -5.4160 -5.4160 -3.9676 -3.9676 -3.6493 -3.6493 -3.2458 -3.2458 -2.9765 -2.9765 4.1658 4.1658 4.4211 4.4211 5.2047 5.2047 5.4374 5.4374 5.6325 5.6325 6.0311 6.0311 6.9611 6.9611 7.0449 7.0449 7.1209 7.1209 7.2260 7.2260 7.5272 7.5272 7.6475 7.6475 7.9199 7.9199 7.9388 7.9388 8.3830 8.3830 8.6069 8.6069 11.9389 11.9389 12.8693 12.8693 13.4591 13.4591 13.7607 13.7607 k = 0.5000 0.2167 0.8660 ( 3838 PWs) bands (ev): -18.5504 -18.5504 -5.4147 -5.4147 -3.9819 -3.9819 -3.6756 -3.6756 -3.2306 -3.2306 -2.9498 -2.9498 4.2027 4.2027 4.4579 4.4579 5.2064 5.2064 5.4446 5.4446 5.6234 5.6234 5.9919 5.9919 6.9625 6.9625 7.0379 7.0379 7.1327 7.1327 7.2440 7.2440 7.5295 7.5295 7.6475 7.6475 7.9478 7.9478 7.9643 7.9643 8.3839 8.3839 8.6384 8.6384 11.9253 11.9253 12.8152 12.8152 13.5491 13.5491 13.7836 13.7836 k = 0.5000 0.2167 0.8432 ( 3838 PWs) bands (ev): -18.5528 -18.5528 -5.4132 -5.4132 -3.9958 -3.9958 -3.7012 -3.7012 -3.2155 -3.2155 -2.9238 -2.9238 4.2388 4.2388 4.4967 4.4967 5.2049 5.2049 5.4516 5.4516 5.6184 5.6184 5.9549 5.9549 6.9638 6.9638 7.0305 7.0305 7.1462 7.1462 7.2625 7.2625 7.5325 7.5325 7.6478 7.6478 7.9769 7.9769 7.9911 7.9911 8.3848 8.3848 8.6716 8.6716 11.8985 11.8985 12.7579 12.7579 13.6315 13.6315 13.8199 13.8199 k = 0.5000 0.2167 0.8205 ( 3838 PWs) bands (ev): -18.5553 -18.5553 -5.4115 -5.4115 -4.0098 -4.0098 -3.7259 -3.7259 -3.2002 -3.2002 -2.8989 -2.8989 4.2737 4.2737 4.5372 4.5372 5.1999 5.1999 5.4584 5.4584 5.6179 5.6179 5.9203 5.9203 6.9641 6.9641 7.0245 7.0245 7.1607 7.1607 7.2812 7.2812 7.5360 7.5360 7.6484 7.6484 8.0071 8.0071 8.0190 8.0190 8.3859 8.3859 8.7065 8.7065 11.8605 11.8605 12.6973 12.6973 13.7031 13.7031 13.8662 13.8662 k = 0.5000 0.2167 0.7977 ( 3844 PWs) bands (ev): -18.5578 -18.5578 -5.4095 -5.4095 -4.0240 -4.0240 -3.7492 -3.7492 -3.1848 -3.1848 -2.8753 -2.8753 4.3069 4.3069 4.5796 4.5796 5.1913 5.1913 5.4652 5.4652 5.6215 5.6215 5.8884 5.8884 6.9620 6.9620 7.0217 7.0217 7.1759 7.1759 7.3000 7.3000 7.5400 7.5400 7.6493 7.6493 8.0385 8.0385 8.0477 8.0477 8.3870 8.3870 8.7431 8.7431 11.8135 11.8135 12.6333 12.6333 13.7569 13.7569 13.9167 13.9167 k = 0.5000 0.2167 0.7749 ( 3836 PWs) bands (ev): -18.5604 -18.5604 -5.4074 -5.4074 -4.0387 -4.0387 -3.7707 -3.7707 -3.1692 -3.1692 -2.8529 -2.8529 4.3382 4.3382 4.6237 4.6237 5.1795 5.1795 5.4722 5.4722 5.6287 5.6287 5.8594 5.8594 6.9565 6.9565 7.0233 7.0233 7.1920 7.1920 7.3187 7.3187 7.5446 7.5446 7.6507 7.6507 8.0705 8.0705 8.0775 8.0775 8.3884 8.3884 8.7816 8.7816 11.7602 11.7602 12.5659 12.5659 13.7695 13.7695 13.9630 13.9630 k = 0.5000 0.2167 0.7521 ( 3830 PWs) bands (ev): -18.5631 -18.5631 -5.4050 -5.4050 -4.0543 -4.0543 -3.7899 -3.7899 -3.1536 -3.1536 -2.8321 -2.8321 4.3672 4.3672 4.6695 4.6695 5.1650 5.1650 5.4794 5.4794 5.6389 5.6389 5.8338 5.8338 6.9479 6.9479 7.0292 7.0292 7.2085 7.2085 7.3371 7.3371 7.5498 7.5498 7.6527 7.6527 8.1016 8.1016 8.1094 8.1094 8.3898 8.3898 8.8217 8.8217 11.7033 11.7033 12.4951 12.4951 13.7093 13.7093 14.0017 14.0017 k = 0.5000 0.2167 0.7293 ( 3830 PWs) bands (ev): -18.5659 -18.5659 -5.4024 -5.4024 -4.0708 -4.0708 -3.8068 -3.8068 -3.1380 -3.1380 -2.8128 -2.8128 4.3938 4.3938 4.7168 4.7168 5.1485 5.1485 5.4868 5.4868 5.6513 5.6513 5.8116 5.8116 6.9372 6.9372 7.0386 7.0386 7.2253 7.2253 7.3552 7.3552 7.5553 7.5553 7.6552 7.6552 8.1307 8.1307 8.1440 8.1440 8.3915 8.3915 8.8636 8.8636 11.6453 11.6453 12.4208 12.4208 13.6004 13.6004 14.0412 14.0412 k = 0.5000 0.2167 0.7065 ( 3834 PWs) bands (ev): -18.5686 -18.5686 -5.3997 -5.3997 -4.0884 -4.0884 -3.8209 -3.8209 -3.1223 -3.1223 -2.7952 -2.7952 4.4178 4.4178 4.7656 4.7656 5.1306 5.1306 5.4944 5.4944 5.6650 5.6650 5.7934 5.7934 6.9251 6.9251 7.0506 7.0506 7.2422 7.2422 7.3730 7.3730 7.5613 7.5613 7.6584 7.6584 8.1581 8.1581 8.1807 8.1807 8.3934 8.3934 8.9071 8.9071 11.5882 11.5882 12.3432 12.3432 13.4763 13.4763 14.0667 14.0667 k = 0.5000 0.2167 0.6837 ( 3828 PWs) bands (ev): -18.5715 -18.5715 -5.3968 -5.3968 -4.1069 -4.1069 -3.8324 -3.8324 -3.1066 -3.1066 -2.7794 -2.7794 4.4391 4.4391 4.8157 4.8157 5.1119 5.1119 5.5020 5.5020 5.6789 5.6789 5.7797 5.7797 6.9123 6.9123 7.0649 7.0649 7.2592 7.2592 7.3904 7.3904 7.5677 7.5677 7.6624 7.6624 8.1837 8.1837 8.2188 8.2188 8.3957 8.3957 8.9520 8.9520 11.5339 11.5339 12.2621 12.2621 13.3493 13.3493 14.0352 14.0352 k = 0.5000 0.2167 0.6609 ( 3824 PWs) bands (ev): -18.5743 -18.5743 -5.3937 -5.3937 -4.1263 -4.1263 -3.8412 -3.8412 -3.0911 -3.0911 -2.7653 -2.7653 4.4578 4.4578 4.8669 4.8669 5.0929 5.0929 5.5094 5.5094 5.6913 5.6913 5.7718 5.7718 6.8990 6.8990 7.0811 7.0811 7.2761 7.2761 7.4073 7.4073 7.5744 7.5744 7.6671 7.6671 8.2070 8.2070 8.2585 8.2585 8.3983 8.3983 8.9981 8.9981 11.4842 11.4842 12.1778 12.1778 13.2240 13.2240 13.9681 13.9681 k = 0.5000 0.2167 0.6381 ( 3824 PWs) bands (ev): -18.5772 -18.5772 -5.3906 -5.3906 -4.1462 -4.1462 -3.8477 -3.8477 -3.0757 -3.0757 -2.7531 -2.7531 4.4739 4.4739 4.9189 4.9189 5.0743 5.0743 5.5167 5.5167 5.6999 5.6999 5.7716 5.7716 6.8853 6.8853 7.0991 7.0991 7.2927 7.2927 7.4239 7.4239 7.5815 7.5815 7.6728 7.6728 8.2275 8.2275 8.2994 8.2994 8.4013 8.4013 9.0450 9.0450 11.4406 11.4406 12.0904 12.0904 13.1026 13.1026 13.8971 13.8971 k = 0.5000 0.2167 0.6153 ( 3824 PWs) bands (ev): -18.5800 -18.5800 -5.3874 -5.3874 -4.1662 -4.1662 -3.8519 -3.8519 -3.0605 -3.0605 -2.7426 -2.7426 4.4876 4.4876 4.9703 4.9703 5.0576 5.0576 5.5236 5.5236 5.7034 5.7034 5.7796 5.7796 6.8714 6.8714 7.1187 7.1187 7.3087 7.3087 7.4402 7.4402 7.5889 7.5889 7.6794 7.6794 8.2447 8.2447 8.3416 8.3416 8.4046 8.4046 9.0925 9.0925 11.4041 11.4041 12.0001 12.0001 12.9863 12.9863 13.8292 13.8292 k = 0.5000 0.2167 0.5925 ( 3822 PWs) bands (ev): -18.5829 -18.5829 -5.3843 -5.3843 -4.1862 -4.1862 -3.8543 -3.8543 -3.0456 -3.0456 -2.7339 -2.7339 4.4991 4.4991 5.0102 5.0102 5.0538 5.0538 5.5303 5.5303 5.7035 5.7035 5.7941 5.7941 6.8576 6.8576 7.1398 7.1398 7.3239 7.3239 7.4562 7.4562 7.5968 7.5968 7.6871 7.6871 8.2584 8.2584 8.3845 8.3845 8.4085 8.4085 9.1400 9.1400 11.3758 11.3758 11.9072 11.9072 12.8763 12.8763 13.7662 13.7662 k = 0.5000 0.2167 0.5698 ( 3822 PWs) bands (ev): -18.5858 -18.5858 -5.3812 -5.3812 -4.2057 -4.2057 -3.8549 -3.8549 -3.0312 -3.0312 -2.7269 -2.7269 4.5088 4.5088 5.0085 5.0085 5.0931 5.0931 5.5366 5.5366 5.7022 5.7022 5.8122 5.8122 6.8437 6.8437 7.1624 7.1624 7.3382 7.3382 7.4722 7.4722 7.6048 7.6048 7.6955 7.6955 8.2685 8.2685 8.4087 8.4087 8.4321 8.4321 9.1871 9.1871 11.3566 11.3566 11.8122 11.8122 12.7732 12.7732 13.7087 13.7087 k = 0.5000 0.2167 0.5470 ( 3830 PWs) bands (ev): -18.5886 -18.5886 -5.3782 -5.3782 -4.2245 -4.2245 -3.8541 -3.8541 -3.0172 -3.0172 -2.7216 -2.7216 4.5168 4.5168 4.9937 4.9937 5.1468 5.1468 5.5425 5.5425 5.7007 5.7007 5.8324 5.8324 6.8297 6.8297 7.1862 7.1862 7.3513 7.3513 7.4881 7.4881 7.6132 7.6132 7.7049 7.7049 8.2750 8.2750 8.4114 8.4114 8.4773 8.4773 9.2331 9.2331 11.3467 11.3467 11.7155 11.7155 12.6780 12.6780 13.6566 13.6566 k = 0.5000 0.2167 0.5242 ( 3824 PWs) bands (ev): -18.5914 -18.5914 -5.3754 -5.3754 -4.2424 -4.2424 -3.8521 -3.8521 -3.0039 -3.0039 -2.7177 -2.7177 4.5235 4.5235 4.9779 4.9779 5.2029 5.2029 5.5480 5.5480 5.6995 5.6995 5.8537 5.8537 6.8161 6.8161 7.2112 7.2112 7.3632 7.3632 7.5041 7.5041 7.6221 7.6221 7.7152 7.7152 8.2783 8.2783 8.4123 8.4123 8.5244 8.5244 9.2774 9.2774 11.3464 11.3464 11.6179 11.6179 12.5912 12.5912 13.6093 13.6093 k = 0.5000 0.2167 0.5014 ( 3818 PWs) bands (ev): -18.5942 -18.5942 -5.3728 -5.3728 -4.2590 -4.2590 -3.8491 -3.8491 -2.9914 -2.9914 -2.7153 -2.7153 4.5292 4.5292 4.9625 4.9625 5.2599 5.2599 5.5532 5.5532 5.6986 5.6986 5.8757 5.8757 6.8025 6.8025 7.2372 7.2372 7.3738 7.3738 7.5202 7.5202 7.6314 7.6314 7.7263 7.7263 8.2784 8.2784 8.4115 8.4115 8.5726 8.5726 9.3194 9.3194 11.3544 11.3544 11.5207 11.5207 12.5136 12.5136 13.5639 13.5639 k = 0.5000 0.2167 0.4786 ( 3810 PWs) bands (ev): -18.5969 -18.5969 -5.3705 -5.3705 -4.2743 -4.2743 -3.8452 -3.8452 -2.9798 -2.9798 -2.7140 -2.7140 4.5342 4.5342 4.9477 4.9477 5.3172 5.3172 5.5580 5.5580 5.6979 5.6979 5.8983 5.8983 6.7892 6.7892 7.2639 7.2639 7.3834 7.3834 7.5363 7.5363 7.6411 7.6411 7.7382 7.7382 8.2755 8.2755 8.4090 8.4090 8.6219 8.6219 9.3583 9.3583 11.3619 11.3619 11.4333 11.4333 12.4458 12.4458 13.5075 13.5075 k = 0.5000 0.2167 0.4558 ( 3806 PWs) bands (ev): -18.5996 -18.5996 -5.3685 -5.3685 -4.2881 -4.2881 -3.8406 -3.8406 -2.9693 -2.9693 -2.7138 -2.7138 4.5388 4.5388 4.9337 4.9337 5.3746 5.3746 5.5625 5.5625 5.6973 5.6973 5.9210 5.9210 6.7762 6.7762 7.2907 7.2907 7.3922 7.3922 7.5522 7.5522 7.6513 7.6513 7.7508 7.7508 8.2697 8.2697 8.4049 8.4049 8.6719 8.6719 9.3936 9.3936 11.3051 11.3051 11.4191 11.4191 12.3883 12.3883 13.4111 13.4111 k = 0.5000 0.2167 0.4330 ( 3804 PWs) bands (ev): -18.6022 -18.6022 -5.3670 -5.3670 -4.3002 -4.3002 -3.8355 -3.8355 -2.9601 -2.9601 -2.7142 -2.7142 4.5431 4.5431 4.9206 4.9206 5.4315 5.4315 5.5666 5.5666 5.6967 5.6967 5.9439 5.9439 6.7635 6.7635 7.3169 7.3169 7.4009 7.4009 7.5679 7.5679 7.6621 7.6621 7.7641 7.7641 8.2611 8.2611 8.3995 8.3995 8.7225 8.7225 9.4246 9.4246 11.2109 11.2109 11.4505 11.4505 12.3415 12.3415 13.2934 13.2934 k = 0.5000 0.2167 0.4102 ( 3802 PWs) bands (ev): -18.6048 -18.6048 -5.3658 -5.3658 -4.3107 -4.3107 -3.8299 -3.8299 -2.9524 -2.9524 -2.7151 -2.7151 4.5475 4.5475 4.9083 4.9083 5.4875 5.4875 5.5705 5.5705 5.6961 5.6961 5.9668 5.9668 6.7511 6.7511 7.3411 7.3411 7.4110 7.4110 7.5830 7.5830 7.6735 7.6735 7.7781 7.7781 8.2497 8.2497 8.3931 8.3931 8.7735 8.7735 9.4509 9.4509 11.1141 11.1141 11.4915 11.4915 12.3057 12.3057 13.1769 13.1769 k = 0.5000 0.2167 0.3874 ( 3812 PWs) bands (ev): -18.6072 -18.6072 -5.3650 -5.3650 -4.3196 -4.3196 -3.8239 -3.8239 -2.9464 -2.9464 -2.7162 -2.7162 4.5520 4.5520 4.8969 4.8969 5.5409 5.5409 5.5752 5.5752 5.6958 5.6958 5.9898 5.9898 6.7391 6.7391 7.3606 7.3606 7.4247 7.4247 7.5975 7.5975 7.6855 7.6855 7.7928 7.7928 8.2358 8.2358 8.3859 8.3859 8.8246 8.8246 9.4721 9.4721 11.0179 11.0179 11.5371 11.5371 12.2809 12.2809 13.0683 13.0683 k = 0.5000 0.2167 0.3646 ( 3810 PWs) bands (ev): -18.6096 -18.6096 -5.3647 -5.3647 -4.3267 -4.3267 -3.8177 -3.8177 -2.9422 -2.9422 -2.7172 -2.7172 4.5567 4.5567 4.8863 4.8863 5.5717 5.5717 5.5991 5.5991 5.6970 5.6970 6.0126 6.0126 6.7275 6.7275 7.3738 7.3738 7.4439 7.4439 7.6114 7.6114 7.6980 7.6980 7.8083 7.8083 8.2197 8.2197 8.3783 8.3783 8.8759 8.8759 9.4883 9.4883 10.9235 10.9235 11.5834 11.5834 12.2670 12.2670 12.9718 12.9718 k = 0.5000 0.2167 0.3419 ( 3810 PWs) bands (ev): -18.6118 -18.6118 -5.3648 -5.3648 -4.3322 -4.3322 -3.8113 -3.8113 -2.9400 -2.9400 -2.7177 -2.7177 4.5618 4.5618 4.8765 4.8765 5.5763 5.5763 5.6407 5.6407 5.7048 5.7048 6.0353 6.0353 6.7165 6.7165 7.3812 7.3812 7.4673 7.4673 7.6246 7.6246 7.7109 7.7109 7.8246 7.8246 8.2017 8.2017 8.3705 8.3705 8.9268 8.9268 9.4994 9.4994 10.8314 10.8314 11.6263 11.6263 12.2633 12.2633 12.8918 12.8918 k = 0.5000 0.2167 0.3191 ( 3816 PWs) bands (ev): -18.6140 -18.6140 -5.3653 -5.3653 -4.3362 -4.3362 -3.8048 -3.8048 -2.9398 -2.9398 -2.7178 -2.7178 4.5674 4.5674 4.8674 4.8674 5.5787 5.5787 5.6625 5.6625 5.7318 5.7318 6.0579 6.0579 6.7059 6.7059 7.3849 7.3849 7.4926 7.4926 7.6373 7.6373 7.7240 7.7240 7.8417 7.8417 8.1825 8.1825 8.3623 8.3623 8.9771 8.9771 9.5058 9.5058 10.7422 10.7422 11.6606 11.6606 12.2692 12.2692 12.8333 12.8333 k = 0.5000 0.2167 0.2963 ( 3818 PWs) bands (ev): -18.6160 -18.6160 -5.3662 -5.3662 -4.3387 -4.3387 -3.7984 -3.7984 -2.9416 -2.9416 -2.7171 -2.7171 4.5733 4.5733 4.8592 4.8592 5.5803 5.5803 5.6666 5.6666 5.7744 5.7744 6.0803 6.0803 6.6959 6.6959 7.3866 7.3866 7.5179 7.5179 7.6499 7.6499 7.7369 7.7369 7.8597 7.8597 8.1627 8.1627 8.3538 8.3538 9.0266 9.0266 9.5078 9.5078 10.6564 10.6564 11.6813 11.6813 12.2834 12.2834 12.8013 12.8013 k = 0.5000 0.2167 0.2735 ( 3822 PWs) bands (ev): -18.6180 -18.6180 -5.3673 -5.3673 -4.3399 -4.3399 -3.7920 -3.7920 -2.9452 -2.9452 -2.7157 -2.7157 4.5795 4.5795 4.8516 4.8516 5.5815 5.5815 5.6651 5.6651 5.8199 5.8199 6.1026 6.1026 6.6865 6.6865 7.3868 7.3868 7.5417 7.5417 7.6628 7.6628 7.7494 7.7494 7.8785 7.8785 8.1430 8.1430 8.3449 8.3449 9.0747 9.0747 9.5062 9.5062 10.5745 10.5745 11.6847 11.6847 12.3046 12.3046 12.7994 12.7994 k = 0.5000 0.2167 0.2507 ( 3824 PWs) bands (ev): -18.6197 -18.6197 -5.3688 -5.3688 -4.3400 -4.3400 -3.7858 -3.7858 -2.9503 -2.9503 -2.7138 -2.7138 4.5861 4.5861 4.8447 4.8447 5.5822 5.5822 5.6616 5.6616 5.8643 5.8643 6.1246 6.1246 6.6777 6.6777 7.3860 7.3860 7.5630 7.5630 7.6762 7.6762 7.7613 7.7613 7.8982 7.8982 8.1241 8.1241 8.3354 8.3354 9.1212 9.1212 9.5015 9.5015 10.4969 10.4969 11.6700 11.6700 12.3314 12.3314 12.8279 12.8279 k = 0.5000 0.2167 0.2279 ( 3832 PWs) bands (ev): -18.6214 -18.6214 -5.3704 -5.3704 -4.3392 -4.3392 -3.7798 -3.7798 -2.9567 -2.9567 -2.7113 -2.7113 4.5929 4.5929 4.8385 4.8385 5.5824 5.5824 5.6574 5.6574 5.9059 5.9059 6.1465 6.1465 6.6697 6.6697 7.3847 7.3847 7.5814 7.5814 7.6904 7.6904 7.7722 7.7722 7.9183 7.9183 8.1068 8.1068 8.3254 8.3254 9.1654 9.1654 9.4946 9.4946 10.4241 10.4241 11.6398 11.6398 12.3627 12.3627 12.8834 12.8834 k = 0.5000 0.2167 0.2051 ( 3836 PWs) bands (ev): -18.6229 -18.6229 -5.3721 -5.3721 -4.3375 -4.3375 -3.7740 -3.7740 -2.9639 -2.9639 -2.7085 -2.7085 4.5998 4.5998 4.8329 4.8329 5.5822 5.5822 5.6529 5.6529 5.9442 5.9442 6.1681 6.1681 6.6623 6.6623 7.3827 7.3827 7.5964 7.5964 7.7049 7.7049 7.7823 7.7823 7.9387 7.9387 8.0918 8.0918 8.3146 8.3146 9.2071 9.2071 9.4862 9.4862 10.3566 10.3566 11.5988 11.5988 12.3973 12.3973 12.9603 12.9603 k = 0.5000 0.2167 0.1823 ( 3832 PWs) bands (ev): -18.6243 -18.6243 -5.3739 -5.3739 -4.3354 -4.3354 -3.7687 -3.7687 -2.9716 -2.9716 -2.7055 -2.7055 4.6066 4.6066 4.8279 4.8279 5.5815 5.5815 5.6484 5.6484 5.9786 5.9786 6.1894 6.1894 6.6558 6.6558 7.3805 7.3805 7.6084 7.6084 7.7192 7.7192 7.7914 7.7914 7.9588 7.9588 8.0801 8.0801 8.3031 8.3031 9.2455 9.2455 9.4771 9.4771 10.2948 10.2948 11.5518 11.5518 12.4338 12.4338 13.0525 13.0525 k = 0.5000 0.2167 0.1595 ( 3836 PWs) bands (ev): -18.6255 -18.6255 -5.3757 -5.3757 -4.3328 -4.3328 -3.7637 -3.7637 -2.9794 -2.9794 -2.7026 -2.7026 4.6132 4.6132 4.8235 4.8235 5.5804 5.5804 5.6442 5.6442 6.0087 6.0087 6.2100 6.2100 6.6500 6.6500 7.3781 7.3781 7.6177 7.6177 7.7325 7.7325 7.7993 7.7993 7.9775 7.9775 8.0728 8.0728 8.2906 8.2906 9.2803 9.2803 9.4682 9.4682 10.2391 10.2391 11.5029 11.5029 12.4708 12.4708 13.1541 13.1541 k = 0.5000 0.2167 0.1367 ( 3836 PWs) bands (ev): -18.6266 -18.6266 -5.3774 -5.3774 -4.3301 -4.3301 -3.7593 -3.7593 -2.9870 -2.9870 -2.6997 -2.6997 4.6194 4.6194 4.8198 4.8198 5.5790 5.5790 5.6405 5.6405 6.0344 6.0344 6.2295 6.2295 6.6449 6.6449 7.3756 7.3756 7.6249 7.6249 7.7440 7.7440 7.8061 7.8061 7.9930 7.9930 8.0716 8.0716 8.2774 8.2774 9.3105 9.3105 9.4602 9.4602 10.1899 10.1899 11.4554 11.4554 12.5068 12.5068 13.2595 13.2595 k = 0.5000 0.2167 0.1140 ( 3840 PWs) bands (ev): -18.6275 -18.6275 -5.3789 -5.3789 -4.3275 -4.3275 -3.7554 -3.7554 -2.9940 -2.9940 -2.6971 -2.6971 4.6251 4.6251 4.8166 4.8166 5.5773 5.5773 5.6372 5.6372 6.0557 6.0557 6.2475 6.2475 6.6407 6.6407 7.3733 7.3733 7.6305 7.6305 7.7533 7.7533 7.8118 7.8118 8.0039 8.0039 8.0775 8.0775 8.2632 8.2632 9.3355 9.3355 9.4541 9.4541 10.1476 10.1476 11.4119 11.4119 12.5402 12.5402 13.3629 13.3629 k = 0.5000 0.2167 0.0912 ( 3848 PWs) bands (ev): -18.6282 -18.6282 -5.3803 -5.3803 -4.3251 -4.3251 -3.7521 -3.7521 -3.0001 -3.0001 -2.6949 -2.6949 4.6300 4.6300 4.8140 4.8140 5.5755 5.5755 5.6346 5.6346 6.0727 6.0727 6.2633 6.2633 6.6372 6.6372 7.3711 7.3711 7.6347 7.6347 7.7602 7.7602 7.8166 7.8166 8.0101 8.0101 8.0899 8.0899 8.2483 8.2483 9.3544 9.3544 9.4506 9.4506 10.1125 10.1125 11.3740 11.3740 12.5698 12.5698 13.4576 13.4576 k = 0.5000 0.2167 0.0684 ( 3848 PWs) bands (ev): -18.6288 -18.6288 -5.3813 -5.3813 -4.3230 -4.3230 -3.7495 -3.7495 -3.0051 -3.0051 -2.6931 -2.6931 4.6340 4.6340 4.8120 4.8120 5.5738 5.5738 5.6326 5.6326 6.0857 6.0857 6.2764 6.2764 6.6345 6.6345 7.3693 7.3693 7.6378 7.6378 7.7650 7.7650 7.8202 7.8202 8.0135 8.0135 8.1060 8.1060 8.2329 8.2329 9.3669 9.3669 9.4501 9.4501 10.0849 10.0849 11.3433 11.3433 12.5943 12.5943 13.5371 13.5371 k = 0.5000 0.2167 0.0456 ( 3842 PWs) bands (ev): -18.6292 -18.6292 -5.3821 -5.3821 -4.3215 -4.3215 -3.7476 -3.7476 -3.0089 -3.0089 -2.6917 -2.6917 4.6369 4.6369 4.8106 4.8106 5.5725 5.5725 5.6313 5.6313 6.0948 6.0948 6.2861 6.2861 6.6326 6.6326 7.3680 7.3680 7.6399 7.6399 7.7680 7.7680 7.8229 7.8229 8.0156 8.0156 8.1228 8.1228 8.2178 8.2178 9.3740 9.3740 9.4517 9.4517 10.0650 10.0650 11.3207 11.3207 12.6126 12.6126 13.5960 13.5960 k = 0.5000 0.2167 0.0228 ( 3842 PWs) bands (ev): -18.6295 -18.6295 -5.3826 -5.3826 -4.3205 -4.3205 -3.7465 -3.7465 -3.0112 -3.0112 -2.6909 -2.6909 4.6388 4.6388 4.8097 4.8097 5.5717 5.5717 5.6305 5.6305 6.1002 6.1002 6.2921 6.2921 6.6314 6.6314 7.3671 7.3671 7.6411 7.6411 7.7696 7.7696 7.8245 7.8245 8.0167 8.0167 8.1374 8.1374 8.2046 8.2046 9.3772 9.3772 9.4537 9.4537 10.0530 10.0530 11.3068 11.3068 12.6240 12.6240 13.6317 13.6317 k = 0.5000 0.2167 0.0000 ( 3850 PWs) bands (ev): -18.6296 -18.6296 -5.3828 -5.3828 -4.3202 -4.3202 -3.7461 -3.7461 -3.0120 -3.0120 -2.6906 -2.6906 4.6394 4.6394 4.8095 4.8095 5.5714 5.5714 5.6302 5.6302 6.1020 6.1020 6.2941 6.2941 6.6310 6.6310 7.3668 7.3668 7.6416 7.6416 7.7701 7.7701 7.8251 7.8251 8.0169 8.0169 8.1438 8.1438 8.1986 8.1986 9.3780 9.3780 9.4545 9.4545 10.0490 10.0490 11.3022 11.3022 12.6278 12.6278 13.6435 13.6435 k = 0.0000 0.0000 1.2576 ( 3820 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5837 -3.5837 -3.3694 -3.3694 -3.2561 -3.2561 3.7666 3.7666 4.1226 4.1226 5.0919 5.0919 5.3530 5.3530 5.8531 5.8531 6.5865 6.5865 6.9074 6.9074 6.9855 6.9855 7.0270 7.0270 7.2229 7.2229 7.5496 7.5496 7.6373 7.6373 7.6734 7.6734 7.7593 7.7593 8.3172 8.3172 8.3792 8.3792 11.4340 11.4340 12.4127 12.4127 13.3234 13.3234 13.9009 13.9009 k = 0.0208 0.0090 1.2576 ( 3818 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5837 -3.5837 -3.3693 -3.3693 -3.2562 -3.2562 3.7678 3.7678 4.1205 4.1205 5.0923 5.0923 5.3555 5.3555 5.8512 5.8512 6.5863 6.5863 6.9078 6.9078 6.9852 6.9852 7.0275 7.0275 7.2221 7.2221 7.5501 7.5501 7.6371 7.6371 7.6735 7.6735 7.7586 7.7586 8.3176 8.3176 8.3790 8.3790 11.4398 11.4398 12.4157 12.4157 13.3157 13.3157 13.7992 13.7992 k = 0.0417 0.0181 1.2576 ( 3826 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5838 -3.5838 -3.3689 -3.3689 -3.2565 -3.2565 3.7712 3.7712 4.1143 4.1143 5.0935 5.0935 5.3629 5.3629 5.8456 5.8456 6.5860 6.5860 6.9087 6.9087 6.9844 6.9844 7.0284 7.0284 7.2199 7.2199 7.5515 7.5515 7.6366 7.6366 7.6737 7.6737 7.7563 7.7563 8.3187 8.3187 8.3785 8.3785 11.4572 11.4572 12.4246 12.4246 13.2930 13.2930 13.6511 13.6511 k = 0.0625 0.0271 1.2576 ( 3826 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5840 -3.5840 -3.3684 -3.3684 -3.2569 -3.2569 3.7768 3.7768 4.1043 4.1043 5.0954 5.0954 5.3750 5.3750 5.8363 5.8363 6.5856 6.5856 6.9103 6.9103 6.9831 6.9831 7.0301 7.0301 7.2163 7.2163 7.5538 7.5538 7.6358 7.6358 7.6741 7.6741 7.7527 7.7527 8.3204 8.3204 8.3777 8.3777 11.4859 11.4859 12.4394 12.4394 13.2548 13.2548 13.5028 13.5028 k = 0.0833 0.0361 1.2576 ( 3826 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5842 -3.5842 -3.3677 -3.3677 -3.2574 -3.2574 3.7846 3.7846 4.0910 4.0910 5.0976 5.0976 5.3915 5.3915 5.8235 5.8235 6.5849 6.5849 6.9125 6.9125 6.9812 6.9812 7.0322 7.0322 7.2115 7.2115 7.5569 7.5569 7.6347 7.6347 7.6748 7.6748 7.7479 7.7479 8.3229 8.3229 8.3766 8.3766 11.5258 11.5258 12.4598 12.4598 13.1975 13.1975 13.3644 13.3644 k = 0.1042 0.0451 1.2576 ( 3832 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5844 -3.5844 -3.3668 -3.3668 -3.2580 -3.2580 3.7945 3.7945 4.0747 4.0747 5.1001 5.1001 5.4121 5.4121 5.8073 5.8073 6.5842 6.5842 6.9151 6.9151 6.9790 6.9790 7.0349 7.0349 7.2059 7.2059 7.5607 7.5607 7.6333 7.6333 7.6756 7.6756 7.7422 7.7422 8.3257 8.3257 8.3753 8.3753 11.5765 11.5765 12.4858 12.4858 13.1086 13.1086 13.2522 13.2522 k = 0.1250 0.0542 1.2576 ( 3832 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5846 -3.5846 -3.3659 -3.3659 -3.2587 -3.2587 3.8065 3.8065 4.0561 4.0561 5.1026 5.1026 5.4362 5.4362 5.7879 5.7879 6.5834 6.5834 6.9181 6.9181 6.9764 6.9764 7.0379 7.0379 7.1997 7.1997 7.5652 7.5652 7.6314 7.6314 7.6766 7.6766 7.7358 7.7358 8.3289 8.3289 8.3737 8.3737 11.6377 11.6377 12.5169 12.5169 12.9863 12.9863 13.1709 13.1709 k = 0.1458 0.0632 1.2576 ( 3832 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5849 -3.5849 -3.3650 -3.3650 -3.2594 -3.2594 3.8202 3.8202 4.0359 4.0359 5.1050 5.1050 5.4633 5.4633 5.7656 5.7656 6.5827 6.5827 6.9214 6.9214 6.9735 6.9735 7.0411 7.0411 7.1933 7.1933 7.5703 7.5703 7.6292 7.6292 7.6779 7.6779 7.7292 7.7292 8.3324 8.3324 8.3718 8.3718 11.7089 11.7089 12.5529 12.5529 12.8505 12.8505 13.1032 13.1032 k = 0.1667 0.0722 1.2576 ( 3822 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5851 -3.5851 -3.3641 -3.3641 -3.2601 -3.2601 3.8356 3.8356 4.0146 4.0146 5.1070 5.1070 5.4926 5.4926 5.7406 5.7406 6.5820 6.5820 6.9249 6.9249 6.9705 6.9705 7.0444 7.0444 7.1871 7.1871 7.5756 7.5756 7.6266 7.6266 7.6794 7.6794 7.7227 7.7227 8.3359 8.3359 8.3698 8.3698 11.7896 11.7896 12.5925 12.5925 12.7140 12.7140 13.0393 13.0393 k = 0.1875 0.0812 1.2576 ( 3822 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5853 -3.5853 -3.3633 -3.3633 -3.2606 -3.2606 3.8522 3.8522 3.9930 3.9930 5.1087 5.1087 5.5237 5.5237 5.7133 5.7133 6.5814 6.5814 6.9283 6.9283 6.9674 6.9674 7.0474 7.0474 7.1816 7.1816 7.5810 7.5810 7.6235 7.6235 7.6811 7.6811 7.7165 7.7165 8.3392 8.3392 8.3677 8.3677 11.8793 11.8793 12.5723 12.5723 12.6437 12.6437 12.9769 12.9769 k = 0.2083 0.0903 1.2576 ( 3826 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5855 -3.5855 -3.3628 -3.3628 -3.2611 -3.2611 3.8693 3.8693 3.9720 3.9720 5.1100 5.1100 5.5558 5.5558 5.6841 5.6841 6.5809 6.5809 6.9314 6.9314 6.9646 6.9646 7.0499 7.0499 7.1772 7.1772 7.5861 7.5861 7.6203 7.6203 7.6829 7.6829 7.7113 7.7113 8.3421 8.3421 8.3656 8.3656 11.9774 11.9774 12.4439 12.4439 12.6898 12.6898 12.9157 12.9157 k = 0.2292 0.0993 1.2576 ( 3814 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5856 -3.5856 -3.3624 -3.3624 -3.2614 -3.2614 3.8849 3.8849 3.9540 3.9540 5.1107 5.1107 5.5883 5.5883 5.6534 5.6534 6.5807 6.5807 6.9336 6.9336 6.9625 6.9625 7.0515 7.0515 7.1745 7.1745 7.5900 7.5900 7.6177 7.6177 7.6845 7.6845 7.7077 7.7077 8.3443 8.3443 8.3641 8.3641 12.0830 12.0830 12.3186 12.3186 12.7414 12.7414 12.8564 12.8564 k = 0.2500 0.1083 1.2576 ( 3812 PWs) bands (ev): -18.5287 -18.5287 -5.4206 -5.4206 -3.6370 -3.6370 -3.5856 -3.5856 -3.3623 -3.3623 -3.2615 -3.2615 3.8926 3.8926 3.9456 3.9456 5.1110 5.1110 5.6165 5.6165 5.6259 5.6259 6.5806 6.5806 6.9344 6.9344 6.9617 6.9617 7.0521 7.0521 7.1735 7.1735 7.5916 7.5916 7.6165 7.6165 7.6852 7.6852 7.7063 7.7063 8.3451 8.3451 8.3635 8.3635 12.1818 12.1818 12.2132 12.2132 12.7872 12.7872 12.8081 12.8081 Writing output data file BaxCuSex2.save init_run : 0.33s CPU 0.52s WALL ( 1 calls) electrons : 208.85s CPU 211.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 208.84s CPU 211.13s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 338 calls) cegterg : 189.22s CPU 191.05s WALL ( 348 calls) Called by sum_band: Called by *egterg: h_psi : 141.69s CPU 143.07s WALL ( 6286 calls) s_psi : 4.35s CPU 4.53s WALL ( 6286 calls) g_psi : 0.19s CPU 0.20s WALL ( 5600 calls) cdiaghg : 46.36s CPU 46.83s WALL ( 5938 calls) cegterg:over : 5.26s CPU 5.32s WALL ( 5600 calls) cegterg:upda : 4.23s CPU 4.30s WALL ( 5600 calls) cegterg:last : 2.27s CPU 2.31s WALL ( 1024 calls) cdiaghg:chol : 2.46s CPU 2.66s WALL ( 5938 calls) cdiaghg:inve : 1.76s CPU 1.80s WALL ( 5938 calls) cdiaghg:para : 3.08s CPU 2.84s WALL ( 11876 calls) Called by h_psi: h_psi:vloc : 131.74s CPU 133.17s WALL ( 6286 calls) h_psi:vnl : 9.74s CPU 9.70s WALL ( 6286 calls) add_vuspsi : 4.92s CPU 4.93s WALL ( 6286 calls) General routines calbec : 4.80s CPU 4.75s WALL ( 6286 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 124.17s CPU 125.41s WALL ( 737564 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.19s WALL ( 676 calls) Parallel routines fft_scatter : 38.81s CPU 38.78s WALL ( 737587 calls) PWSCF : 3m45.80s CPU 4m 4.87s WALL This run was terminated on: 14: 9: 2 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=