Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:19:47 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: ./AgCl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 24 7 716 530 89 Max 31 25 8 719 541 92 Sum 1051 865 261 25835 19249 3223 bravais-lattice index = 14 lattice parameter (alat) = 9.8775 a.u. unit-cell volume = 456.7923 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.877512 celldm(2)= 1.000000 celldm(3)= 0.783439 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.796209 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.796209 0.605022 0.000000 ) a(3) = ( 0.000000 0.000000 0.783439 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.316001 -0.000000 ) b(2) = ( 0.000000 1.652833 -0.000000 ) b(3) = ( 0.000000 0.000000 1.276424 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 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 Cl 7.00 35.45300 Cl( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3917195 ) 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3917195 ) 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= 456 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 2) = ( 0.0052521 0.0155928 -0.0000000), wk = 0.0021930 k( 3) = ( 0.0105043 0.0311855 -0.0000000), wk = 0.0021930 k( 4) = ( 0.0157565 0.0467783 -0.0000000), wk = 0.0021930 k( 5) = ( 0.0210086 0.0623711 -0.0000000), wk = 0.0021930 k( 6) = ( 0.0262608 0.0779638 -0.0000000), wk = 0.0021930 k( 7) = ( 0.0315129 0.0935566 -0.0000000), wk = 0.0021930 k( 8) = ( 0.0367651 0.1091494 -0.0000000), wk = 0.0021930 k( 9) = ( 0.0420172 0.1247421 -0.0000000), wk = 0.0021930 k( 10) = ( 0.0472694 0.1403349 -0.0000000), wk = 0.0021930 k( 11) = ( 0.0525215 0.1559277 -0.0000000), wk = 0.0021930 k( 12) = ( 0.0577737 0.1715205 -0.0000000), wk = 0.0021930 k( 13) = ( 0.0630258 0.1871132 -0.0000000), wk = 0.0021930 k( 14) = ( 0.0682780 0.2027060 -0.0000000), wk = 0.0021930 k( 15) = ( 0.0735301 0.2182987 -0.0000000), wk = 0.0021930 k( 16) = ( 0.0787823 0.2338915 -0.0000000), wk = 0.0021930 k( 17) = ( 0.0840344 0.2494843 -0.0000000), wk = 0.0021930 k( 18) = ( 0.0892866 0.2650771 -0.0000000), wk = 0.0021930 k( 19) = ( 0.0945387 0.2806698 -0.0000000), wk = 0.0021930 k( 20) = ( 0.0997909 0.2962626 -0.0000000), wk = 0.0021930 k( 21) = ( 0.1050430 0.3118553 -0.0000000), wk = 0.0021930 k( 22) = ( 0.1102952 0.3274481 -0.0000000), wk = 0.0021930 k( 23) = ( 0.1155473 0.3430409 -0.0000000), wk = 0.0021930 k( 24) = ( 0.1207995 0.3586337 -0.0000000), wk = 0.0021930 k( 25) = ( 0.1260516 0.3742264 -0.0000000), wk = 0.0021930 k( 26) = ( 0.1313038 0.3898192 -0.0000000), wk = 0.0021930 k( 27) = ( 0.1365559 0.4054120 -0.0000000), wk = 0.0021930 k( 28) = ( 0.1418081 0.4210047 -0.0000000), wk = 0.0021930 k( 29) = ( 0.1470603 0.4365975 -0.0000000), wk = 0.0021930 k( 30) = ( 0.1523124 0.4521903 -0.0000000), wk = 0.0021930 k( 31) = ( 0.1575645 0.4677830 -0.0000000), wk = 0.0021930 k( 32) = ( 0.1628167 0.4833758 -0.0000000), wk = 0.0021930 k( 33) = ( 0.1680688 0.4989686 -0.0000000), wk = 0.0021930 k( 34) = ( 0.1733210 0.5145614 -0.0000000), wk = 0.0021930 k( 35) = ( 0.1785732 0.5301541 -0.0000000), wk = 0.0021930 k( 36) = ( 0.1838253 0.5457469 -0.0000000), wk = 0.0021930 k( 37) = ( 0.1890775 0.5613396 -0.0000000), wk = 0.0021930 k( 38) = ( 0.1943296 0.5769324 -0.0000000), wk = 0.0021930 k( 39) = ( 0.1995818 0.5925252 -0.0000000), wk = 0.0021930 k( 40) = ( 0.2048339 0.6081180 -0.0000000), wk = 0.0021930 k( 41) = ( 0.2100861 0.6237107 -0.0000000), wk = 0.0021930 k( 42) = ( 0.2153382 0.6393035 -0.0000000), wk = 0.0021930 k( 43) = ( 0.2205904 0.6548963 -0.0000000), wk = 0.0021930 k( 44) = ( 0.2258425 0.6704890 -0.0000000), wk = 0.0021930 k( 45) = ( 0.2310947 0.6860818 -0.0000000), wk = 0.0021930 k( 46) = ( 0.2363468 0.7016746 -0.0000000), wk = 0.0021930 k( 47) = ( 0.2415990 0.7172673 -0.0000000), wk = 0.0021930 k( 48) = ( 0.2468511 0.7328601 -0.0000000), wk = 0.0021930 k( 49) = ( 0.2521033 0.7484529 -0.0000000), wk = 0.0021930 k( 50) = ( 0.2573554 0.7640456 -0.0000000), wk = 0.0021930 k( 51) = ( 0.2626076 0.7796384 -0.0000000), wk = 0.0021930 k( 52) = ( 0.2678597 0.7952312 -0.0000000), wk = 0.0021930 k( 53) = ( 0.2731119 0.8108239 -0.0000000), wk = 0.0021930 k( 54) = ( 0.2783640 0.8264167 -0.0000000), wk = 0.0021930 k( 55) = ( 0.2783640 0.8264167 -0.0000000), wk = 0.0021930 k( 56) = ( 0.2619897 0.8264167 -0.0000000), wk = 0.0021930 k( 57) = ( 0.2456153 0.8264167 -0.0000000), wk = 0.0021930 k( 58) = ( 0.2292410 0.8264167 -0.0000000), wk = 0.0021930 k( 59) = ( 0.2128666 0.8264167 -0.0000000), wk = 0.0021930 k( 60) = ( 0.1964923 0.8264167 -0.0000000), wk = 0.0021930 k( 61) = ( 0.1801179 0.8264167 -0.0000000), wk = 0.0021930 k( 62) = ( 0.1637435 0.8264167 -0.0000000), wk = 0.0021930 k( 63) = ( 0.1473692 0.8264167 -0.0000000), wk = 0.0021930 k( 64) = ( 0.1309948 0.8264167 -0.0000000), wk = 0.0021930 k( 65) = ( 0.1146205 0.8264167 -0.0000000), wk = 0.0021930 k( 66) = ( 0.0982461 0.8264167 -0.0000000), wk = 0.0021930 k( 67) = ( 0.0818718 0.8264167 -0.0000000), wk = 0.0021930 k( 68) = ( 0.0654974 0.8264167 -0.0000000), wk = 0.0021930 k( 69) = ( 0.0491231 0.8264167 -0.0000000), wk = 0.0021930 k( 70) = ( 0.0327487 0.8264167 -0.0000000), wk = 0.0021930 k( 71) = ( 0.0163744 0.8264167 -0.0000000), wk = 0.0021930 k( 72) = ( 0.0000000 0.8264167 -0.0000000), wk = 0.0021930 k( 73) = ( 0.0000000 0.8264167 -0.0000000), wk = 0.0021930 k( 74) = ( 0.0000000 0.8264167 0.0163644), wk = 0.0021930 k( 75) = ( 0.0000000 0.8264167 0.0327288), wk = 0.0021930 k( 76) = ( 0.0000000 0.8264167 0.0490932), wk = 0.0021930 k( 77) = ( 0.0000000 0.8264167 0.0654576), wk = 0.0021930 k( 78) = ( 0.0000000 0.8264167 0.0818220), wk = 0.0021930 k( 79) = ( 0.0000000 0.8264167 0.0981864), wk = 0.0021930 k( 80) = ( 0.0000000 0.8264167 0.1145508), wk = 0.0021930 k( 81) = ( 0.0000000 0.8264167 0.1309152), wk = 0.0021930 k( 82) = ( 0.0000000 0.8264167 0.1472797), wk = 0.0021930 k( 83) = ( 0.0000000 0.8264167 0.1636441), wk = 0.0021930 k( 84) = ( 0.0000000 0.8264167 0.1800085), wk = 0.0021930 k( 85) = ( 0.0000000 0.8264167 0.1963729), wk = 0.0021930 k( 86) = ( 0.0000000 0.8264167 0.2127373), wk = 0.0021930 k( 87) = ( 0.0000000 0.8264167 0.2291017), wk = 0.0021930 k( 88) = ( 0.0000000 0.8264167 0.2454661), wk = 0.0021930 k( 89) = ( 0.0000000 0.8264167 0.2618305), wk = 0.0021930 k( 90) = ( 0.0000000 0.8264167 0.2781949), wk = 0.0021930 k( 91) = ( 0.0000000 0.8264167 0.2945593), wk = 0.0021930 k( 92) = ( 0.0000000 0.8264167 0.3109237), wk = 0.0021930 k( 93) = ( 0.0000000 0.8264167 0.3272881), wk = 0.0021930 k( 94) = ( 0.0000000 0.8264167 0.3436525), wk = 0.0021930 k( 95) = ( 0.0000000 0.8264167 0.3600169), wk = 0.0021930 k( 96) = ( 0.0000000 0.8264167 0.3763813), wk = 0.0021930 k( 97) = ( 0.0000000 0.8264167 0.3927457), wk = 0.0021930 k( 98) = ( 0.0000000 0.8264167 0.4091101), wk = 0.0021930 k( 99) = ( 0.0000000 0.8264167 0.4254745), wk = 0.0021930 k( 100) = ( 0.0000000 0.8264167 0.4418389), wk = 0.0021930 k( 101) = ( 0.0000000 0.8264167 0.4582033), wk = 0.0021930 k( 102) = ( 0.0000000 0.8264167 0.4745677), wk = 0.0021930 k( 103) = ( 0.0000000 0.8264167 0.4909321), wk = 0.0021930 k( 104) = ( 0.0000000 0.8264167 0.5072966), wk = 0.0021930 k( 105) = ( 0.0000000 0.8264167 0.5236610), wk = 0.0021930 k( 106) = ( 0.0000000 0.8264167 0.5400254), wk = 0.0021930 k( 107) = ( 0.0000000 0.8264167 0.5563898), wk = 0.0021930 k( 108) = ( 0.0000000 0.8264167 0.5727542), wk = 0.0021930 k( 109) = ( 0.0000000 0.8264167 0.5891186), wk = 0.0021930 k( 110) = ( 0.0000000 0.8264167 0.6054830), wk = 0.0021930 k( 111) = ( 0.0000000 0.8264167 0.6218474), wk = 0.0021930 k( 112) = ( 0.0000000 0.8264167 0.6382118), wk = 0.0021930 k( 113) = ( 0.0000000 0.8264167 0.6382118), wk = 0.0021930 k( 114) = ( 0.0163744 0.8264167 0.6382118), wk = 0.0021930 k( 115) = ( 0.0327487 0.8264167 0.6382118), wk = 0.0021930 k( 116) = ( 0.0491231 0.8264167 0.6382118), wk = 0.0021930 k( 117) = ( 0.0654974 0.8264167 0.6382118), wk = 0.0021930 k( 118) = ( 0.0818718 0.8264167 0.6382118), wk = 0.0021930 k( 119) = ( 0.0982461 0.8264167 0.6382118), wk = 0.0021930 k( 120) = ( 0.1146205 0.8264167 0.6382118), wk = 0.0021930 k( 121) = ( 0.1309948 0.8264167 0.6382118), wk = 0.0021930 k( 122) = ( 0.1473692 0.8264167 0.6382118), wk = 0.0021930 k( 123) = ( 0.1637435 0.8264167 0.6382118), wk = 0.0021930 k( 124) = ( 0.1801179 0.8264167 0.6382118), wk = 0.0021930 k( 125) = ( 0.1964923 0.8264167 0.6382118), wk = 0.0021930 k( 126) = ( 0.2128666 0.8264167 0.6382118), wk = 0.0021930 k( 127) = ( 0.2292410 0.8264167 0.6382118), wk = 0.0021930 k( 128) = ( 0.2456153 0.8264167 0.6382118), wk = 0.0021930 k( 129) = ( 0.2619897 0.8264167 0.6382118), wk = 0.0021930 k( 130) = ( 0.2783640 0.8264167 0.6382118), wk = 0.0021930 k( 131) = ( 0.2783640 0.8264167 0.6382118), wk = 0.0021930 k( 132) = ( 0.2731119 0.8108239 0.6382118), wk = 0.0021930 k( 133) = ( 0.2678597 0.7952312 0.6382118), wk = 0.0021930 k( 134) = ( 0.2626076 0.7796384 0.6382118), wk = 0.0021930 k( 135) = ( 0.2573554 0.7640456 0.6382118), wk = 0.0021930 k( 136) = ( 0.2521033 0.7484529 0.6382118), wk = 0.0021930 k( 137) = ( 0.2468511 0.7328601 0.6382118), wk = 0.0021930 k( 138) = ( 0.2415990 0.7172673 0.6382118), wk = 0.0021930 k( 139) = ( 0.2363468 0.7016746 0.6382118), wk = 0.0021930 k( 140) = ( 0.2310947 0.6860818 0.6382118), wk = 0.0021930 k( 141) = ( 0.2258425 0.6704890 0.6382118), wk = 0.0021930 k( 142) = ( 0.2205904 0.6548963 0.6382118), wk = 0.0021930 k( 143) = ( 0.2153382 0.6393035 0.6382118), wk = 0.0021930 k( 144) = ( 0.2100861 0.6237107 0.6382118), wk = 0.0021930 k( 145) = ( 0.2048339 0.6081180 0.6382118), wk = 0.0021930 k( 146) = ( 0.1995818 0.5925252 0.6382118), wk = 0.0021930 k( 147) = ( 0.1943296 0.5769324 0.6382118), wk = 0.0021930 k( 148) = ( 0.1890775 0.5613396 0.6382118), wk = 0.0021930 k( 149) = ( 0.1838253 0.5457469 0.6382118), wk = 0.0021930 k( 150) = ( 0.1785732 0.5301541 0.6382118), wk = 0.0021930 k( 151) = ( 0.1733210 0.5145614 0.6382118), wk = 0.0021930 k( 152) = ( 0.1680688 0.4989686 0.6382118), wk = 0.0021930 k( 153) = ( 0.1628167 0.4833758 0.6382118), wk = 0.0021930 k( 154) = ( 0.1575645 0.4677830 0.6382118), wk = 0.0021930 k( 155) = ( 0.1523124 0.4521903 0.6382118), wk = 0.0021930 k( 156) = ( 0.1470603 0.4365975 0.6382118), wk = 0.0021930 k( 157) = ( 0.1418081 0.4210047 0.6382118), wk = 0.0021930 k( 158) = ( 0.1365559 0.4054120 0.6382118), wk = 0.0021930 k( 159) = ( 0.1313038 0.3898192 0.6382118), wk = 0.0021930 k( 160) = ( 0.1260516 0.3742264 0.6382118), wk = 0.0021930 k( 161) = ( 0.1207995 0.3586337 0.6382118), wk = 0.0021930 k( 162) = ( 0.1155473 0.3430409 0.6382118), wk = 0.0021930 k( 163) = ( 0.1102952 0.3274481 0.6382118), wk = 0.0021930 k( 164) = ( 0.1050430 0.3118553 0.6382118), wk = 0.0021930 k( 165) = ( 0.0997909 0.2962626 0.6382118), wk = 0.0021930 k( 166) = ( 0.0945387 0.2806698 0.6382118), wk = 0.0021930 k( 167) = ( 0.0892866 0.2650771 0.6382118), wk = 0.0021930 k( 168) = ( 0.0840344 0.2494843 0.6382118), wk = 0.0021930 k( 169) = ( 0.0787823 0.2338915 0.6382118), wk = 0.0021930 k( 170) = ( 0.0735301 0.2182987 0.6382118), wk = 0.0021930 k( 171) = ( 0.0682780 0.2027060 0.6382118), wk = 0.0021930 k( 172) = ( 0.0630258 0.1871132 0.6382118), wk = 0.0021930 k( 173) = ( 0.0577737 0.1715205 0.6382118), wk = 0.0021930 k( 174) = ( 0.0525215 0.1559277 0.6382118), wk = 0.0021930 k( 175) = ( 0.0472694 0.1403349 0.6382118), wk = 0.0021930 k( 176) = ( 0.0420172 0.1247421 0.6382118), wk = 0.0021930 k( 177) = ( 0.0367651 0.1091494 0.6382118), wk = 0.0021930 k( 178) = ( 0.0315129 0.0935566 0.6382118), wk = 0.0021930 k( 179) = ( 0.0262608 0.0779638 0.6382118), wk = 0.0021930 k( 180) = ( 0.0210086 0.0623711 0.6382118), wk = 0.0021930 k( 181) = ( 0.0157565 0.0467783 0.6382118), wk = 0.0021930 k( 182) = ( 0.0105043 0.0311855 0.6382118), wk = 0.0021930 k( 183) = ( 0.0052521 0.0155928 0.6382118), wk = 0.0021930 k( 184) = ( 0.0000000 0.0000000 0.6382118), wk = 0.0021930 k( 185) = ( 0.0000000 0.0000000 0.6382118), wk = 0.0021930 k( 186) = ( 0.0000000 0.0000000 0.6218474), wk = 0.0021930 k( 187) = ( 0.0000000 0.0000000 0.6054830), wk = 0.0021930 k( 188) = ( 0.0000000 0.0000000 0.5891186), wk = 0.0021930 k( 189) = ( 0.0000000 0.0000000 0.5727542), wk = 0.0021930 k( 190) = ( 0.0000000 0.0000000 0.5563898), wk = 0.0021930 k( 191) = ( 0.0000000 0.0000000 0.5400254), wk = 0.0021930 k( 192) = ( 0.0000000 0.0000000 0.5236610), wk = 0.0021930 k( 193) = ( 0.0000000 0.0000000 0.5072966), wk = 0.0021930 k( 194) = ( 0.0000000 0.0000000 0.4909321), wk = 0.0021930 k( 195) = ( 0.0000000 0.0000000 0.4745677), wk = 0.0021930 k( 196) = ( 0.0000000 0.0000000 0.4582033), wk = 0.0021930 k( 197) = ( 0.0000000 0.0000000 0.4418389), wk = 0.0021930 k( 198) = ( 0.0000000 0.0000000 0.4254745), wk = 0.0021930 k( 199) = ( 0.0000000 0.0000000 0.4091101), wk = 0.0021930 k( 200) = ( 0.0000000 0.0000000 0.3927457), wk = 0.0021930 k( 201) = ( 0.0000000 0.0000000 0.3763813), wk = 0.0021930 k( 202) = ( 0.0000000 0.0000000 0.3600169), wk = 0.0021930 k( 203) = ( 0.0000000 0.0000000 0.3436525), wk = 0.0021930 k( 204) = ( 0.0000000 0.0000000 0.3272881), wk = 0.0021930 k( 205) = ( 0.0000000 0.0000000 0.3109237), wk = 0.0021930 k( 206) = ( 0.0000000 0.0000000 0.2945593), wk = 0.0021930 k( 207) = ( 0.0000000 0.0000000 0.2781949), wk = 0.0021930 k( 208) = ( 0.0000000 0.0000000 0.2618305), wk = 0.0021930 k( 209) = ( 0.0000000 0.0000000 0.2454661), wk = 0.0021930 k( 210) = ( 0.0000000 0.0000000 0.2291017), wk = 0.0021930 k( 211) = ( 0.0000000 0.0000000 0.2127373), wk = 0.0021930 k( 212) = ( 0.0000000 0.0000000 0.1963729), wk = 0.0021930 k( 213) = ( 0.0000000 0.0000000 0.1800085), wk = 0.0021930 k( 214) = ( 0.0000000 0.0000000 0.1636441), wk = 0.0021930 k( 215) = ( 0.0000000 0.0000000 0.1472797), wk = 0.0021930 k( 216) = ( 0.0000000 0.0000000 0.1309152), wk = 0.0021930 k( 217) = ( 0.0000000 0.0000000 0.1145508), wk = 0.0021930 k( 218) = ( 0.0000000 0.0000000 0.0981864), wk = 0.0021930 k( 219) = ( 0.0000000 0.0000000 0.0818220), wk = 0.0021930 k( 220) = ( 0.0000000 0.0000000 0.0654576), wk = 0.0021930 k( 221) = ( 0.0000000 0.0000000 0.0490932), wk = 0.0021930 k( 222) = ( 0.0000000 0.0000000 0.0327288), wk = 0.0021930 k( 223) = ( 0.0000000 0.0000000 0.0163644), wk = 0.0021930 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 226) = ( -0.0156250 0.0052630 0.0000000), wk = 0.0021930 k( 227) = ( -0.0312500 0.0105260 0.0000000), wk = 0.0021930 k( 228) = ( -0.0468750 0.0157890 0.0000000), wk = 0.0021930 k( 229) = ( -0.0625000 0.0210520 0.0000000), wk = 0.0021930 k( 230) = ( -0.0781250 0.0263150 0.0000000), wk = 0.0021930 k( 231) = ( -0.0937500 0.0315781 0.0000000), wk = 0.0021930 k( 232) = ( -0.1093750 0.0368411 0.0000000), wk = 0.0021930 k( 233) = ( -0.1250000 0.0421041 0.0000000), wk = 0.0021930 k( 234) = ( -0.1406250 0.0473671 0.0000000), wk = 0.0021930 k( 235) = ( -0.1562500 0.0526301 0.0000000), wk = 0.0021930 k( 236) = ( -0.1718750 0.0578931 0.0000000), wk = 0.0021930 k( 237) = ( -0.1875000 0.0631561 0.0000000), wk = 0.0021930 k( 238) = ( -0.2031250 0.0684191 0.0000000), wk = 0.0021930 k( 239) = ( -0.2187500 0.0736821 0.0000000), wk = 0.0021930 k( 240) = ( -0.2343750 0.0789451 0.0000000), wk = 0.0021930 k( 241) = ( -0.2500000 0.0842081 0.0000000), wk = 0.0021930 k( 242) = ( -0.2656250 0.0894711 0.0000000), wk = 0.0021930 k( 243) = ( -0.2812500 0.0947342 0.0000000), wk = 0.0021930 k( 244) = ( -0.2968750 0.0999972 0.0000000), wk = 0.0021930 k( 245) = ( -0.3125000 0.1052602 0.0000000), wk = 0.0021930 k( 246) = ( -0.3281250 0.1105232 0.0000000), wk = 0.0021930 k( 247) = ( -0.3437500 0.1157862 0.0000000), wk = 0.0021930 k( 248) = ( -0.3593750 0.1210492 0.0000000), wk = 0.0021930 k( 249) = ( -0.3750000 0.1263122 0.0000000), wk = 0.0021930 k( 250) = ( -0.3906250 0.1315752 0.0000000), wk = 0.0021930 k( 251) = ( -0.4062500 0.1368382 0.0000000), wk = 0.0021930 k( 252) = ( -0.4218750 0.1421012 0.0000000), wk = 0.0021930 k( 253) = ( -0.4375000 0.1473642 0.0000000), wk = 0.0021930 k( 254) = ( -0.4531250 0.1526272 0.0000000), wk = 0.0021930 k( 255) = ( -0.4687500 0.1578903 0.0000000), wk = 0.0021930 k( 256) = ( -0.4843750 0.1631533 0.0000000), wk = 0.0021930 k( 257) = ( -0.5000000 0.1684163 0.0000000), wk = 0.0021930 k( 258) = ( -0.5000000 0.1684163 0.0000000), wk = 0.0021930 k( 259) = ( -0.4947229 0.1840830 -0.0000000), wk = 0.0021930 k( 260) = ( -0.4894459 0.1997496 -0.0000000), wk = 0.0021930 k( 261) = ( -0.4841689 0.2154163 -0.0000000), wk = 0.0021930 k( 262) = ( -0.4788918 0.2310830 -0.0000000), wk = 0.0021930 k( 263) = ( -0.4736148 0.2467496 -0.0000000), wk = 0.0021930 k( 264) = ( -0.4683377 0.2624163 -0.0000000), wk = 0.0021930 k( 265) = ( -0.4630607 0.2780830 -0.0000000), wk = 0.0021930 k( 266) = ( -0.4577836 0.2937497 -0.0000000), wk = 0.0021930 k( 267) = ( -0.4525066 0.3094164 -0.0000000), wk = 0.0021930 k( 268) = ( -0.4472295 0.3250831 -0.0000000), wk = 0.0021930 k( 269) = ( -0.4419525 0.3407497 -0.0000000), wk = 0.0021930 k( 270) = ( -0.4366754 0.3564164 -0.0000000), wk = 0.0021930 k( 271) = ( -0.4313984 0.3720831 -0.0000000), wk = 0.0021930 k( 272) = ( -0.4261214 0.3877497 -0.0000000), wk = 0.0021930 k( 273) = ( -0.4208443 0.4034164 -0.0000000), wk = 0.0021930 k( 274) = ( -0.4155672 0.4190831 -0.0000000), wk = 0.0021930 k( 275) = ( -0.4102902 0.4347498 -0.0000000), wk = 0.0021930 k( 276) = ( -0.4050132 0.4504165 -0.0000000), wk = 0.0021930 k( 277) = ( -0.3997361 0.4660831 -0.0000000), wk = 0.0021930 k( 278) = ( -0.3944591 0.4817498 -0.0000000), wk = 0.0021930 k( 279) = ( -0.3891820 0.4974165 -0.0000000), wk = 0.0021930 k( 280) = ( -0.3839050 0.5130832 -0.0000000), wk = 0.0021930 k( 281) = ( -0.3786279 0.5287498 -0.0000000), wk = 0.0021930 k( 282) = ( -0.3733509 0.5444165 -0.0000000), wk = 0.0021930 k( 283) = ( -0.3680738 0.5600832 -0.0000000), wk = 0.0021930 k( 284) = ( -0.3627968 0.5757499 -0.0000000), wk = 0.0021930 k( 285) = ( -0.3575197 0.5914166 -0.0000000), wk = 0.0021930 k( 286) = ( -0.3522427 0.6070832 -0.0000000), wk = 0.0021930 k( 287) = ( -0.3469657 0.6227499 -0.0000000), wk = 0.0021930 k( 288) = ( -0.3416886 0.6384166 -0.0000000), wk = 0.0021930 k( 289) = ( -0.3364116 0.6540833 -0.0000000), wk = 0.0021930 k( 290) = ( -0.3311345 0.6697499 -0.0000000), wk = 0.0021930 k( 291) = ( -0.3258575 0.6854166 -0.0000000), wk = 0.0021930 k( 292) = ( -0.3205804 0.7010833 -0.0000000), wk = 0.0021930 k( 293) = ( -0.3153034 0.7167500 -0.0000000), wk = 0.0021930 k( 294) = ( -0.3100263 0.7324166 -0.0000000), wk = 0.0021930 k( 295) = ( -0.3047493 0.7480833 -0.0000000), wk = 0.0021930 k( 296) = ( -0.2994722 0.7637500 -0.0000000), wk = 0.0021930 k( 297) = ( -0.2941952 0.7794167 -0.0000000), wk = 0.0021930 k( 298) = ( -0.2889181 0.7950834 -0.0000000), wk = 0.0021930 k( 299) = ( -0.2836411 0.8107500 -0.0000000), wk = 0.0021930 k( 300) = ( -0.2783640 0.8264167 -0.0000000), wk = 0.0021930 k( 301) = ( -0.2783640 0.8264167 -0.0000000), wk = 0.0021930 k( 302) = ( -0.2783640 0.8264167 0.0163644), wk = 0.0021930 k( 303) = ( -0.2783640 0.8264167 0.0327288), wk = 0.0021930 k( 304) = ( -0.2783640 0.8264167 0.0490932), wk = 0.0021930 k( 305) = ( -0.2783640 0.8264167 0.0654576), wk = 0.0021930 k( 306) = ( -0.2783640 0.8264167 0.0818220), wk = 0.0021930 k( 307) = ( -0.2783640 0.8264167 0.0981864), wk = 0.0021930 k( 308) = ( -0.2783640 0.8264167 0.1145508), wk = 0.0021930 k( 309) = ( -0.2783640 0.8264167 0.1309152), wk = 0.0021930 k( 310) = ( -0.2783640 0.8264167 0.1472797), wk = 0.0021930 k( 311) = ( -0.2783640 0.8264167 0.1636441), wk = 0.0021930 k( 312) = ( -0.2783640 0.8264167 0.1800085), wk = 0.0021930 k( 313) = ( -0.2783640 0.8264167 0.1963729), wk = 0.0021930 k( 314) = ( -0.2783640 0.8264167 0.2127373), wk = 0.0021930 k( 315) = ( -0.2783640 0.8264167 0.2291017), wk = 0.0021930 k( 316) = ( -0.2783640 0.8264167 0.2454661), wk = 0.0021930 k( 317) = ( -0.2783640 0.8264167 0.2618305), wk = 0.0021930 k( 318) = ( -0.2783640 0.8264167 0.2781949), wk = 0.0021930 k( 319) = ( -0.2783640 0.8264167 0.2945593), wk = 0.0021930 k( 320) = ( -0.2783640 0.8264167 0.3109237), wk = 0.0021930 k( 321) = ( -0.2783640 0.8264167 0.3272881), wk = 0.0021930 k( 322) = ( -0.2783640 0.8264167 0.3436525), wk = 0.0021930 k( 323) = ( -0.2783640 0.8264167 0.3600169), wk = 0.0021930 k( 324) = ( -0.2783640 0.8264167 0.3763813), wk = 0.0021930 k( 325) = ( -0.2783640 0.8264167 0.3927457), wk = 0.0021930 k( 326) = ( -0.2783640 0.8264167 0.4091101), wk = 0.0021930 k( 327) = ( -0.2783640 0.8264167 0.4254745), wk = 0.0021930 k( 328) = ( -0.2783640 0.8264167 0.4418389), wk = 0.0021930 k( 329) = ( -0.2783640 0.8264167 0.4582033), wk = 0.0021930 k( 330) = ( -0.2783640 0.8264167 0.4745677), wk = 0.0021930 k( 331) = ( -0.2783640 0.8264167 0.4909321), wk = 0.0021930 k( 332) = ( -0.2783640 0.8264167 0.5072966), wk = 0.0021930 k( 333) = ( -0.2783640 0.8264167 0.5236610), wk = 0.0021930 k( 334) = ( -0.2783640 0.8264167 0.5400254), wk = 0.0021930 k( 335) = ( -0.2783640 0.8264167 0.5563898), wk = 0.0021930 k( 336) = ( -0.2783640 0.8264167 0.5727542), wk = 0.0021930 k( 337) = ( -0.2783640 0.8264167 0.5891186), wk = 0.0021930 k( 338) = ( -0.2783640 0.8264167 0.6054830), wk = 0.0021930 k( 339) = ( -0.2783640 0.8264167 0.6218474), wk = 0.0021930 k( 340) = ( -0.2783640 0.8264167 0.6382118), wk = 0.0021930 k( 341) = ( -0.2783640 0.8264167 0.6382118), wk = 0.0021930 k( 342) = ( -0.2836411 0.8107500 0.6382118), wk = 0.0021930 k( 343) = ( -0.2889181 0.7950834 0.6382118), wk = 0.0021930 k( 344) = ( -0.2941952 0.7794167 0.6382118), wk = 0.0021930 k( 345) = ( -0.2994722 0.7637500 0.6382118), wk = 0.0021930 k( 346) = ( -0.3047493 0.7480833 0.6382118), wk = 0.0021930 k( 347) = ( -0.3100263 0.7324166 0.6382118), wk = 0.0021930 k( 348) = ( -0.3153034 0.7167500 0.6382118), wk = 0.0021930 k( 349) = ( -0.3205804 0.7010833 0.6382118), wk = 0.0021930 k( 350) = ( -0.3258575 0.6854166 0.6382118), wk = 0.0021930 k( 351) = ( -0.3311345 0.6697499 0.6382118), wk = 0.0021930 k( 352) = ( -0.3364116 0.6540833 0.6382118), wk = 0.0021930 k( 353) = ( -0.3416886 0.6384166 0.6382118), wk = 0.0021930 k( 354) = ( -0.3469657 0.6227499 0.6382118), wk = 0.0021930 k( 355) = ( -0.3522427 0.6070832 0.6382118), wk = 0.0021930 k( 356) = ( -0.3575197 0.5914166 0.6382118), wk = 0.0021930 k( 357) = ( -0.3627968 0.5757499 0.6382118), wk = 0.0021930 k( 358) = ( -0.3680738 0.5600832 0.6382118), wk = 0.0021930 k( 359) = ( -0.3733509 0.5444165 0.6382118), wk = 0.0021930 k( 360) = ( -0.3786279 0.5287498 0.6382118), wk = 0.0021930 k( 361) = ( -0.3839050 0.5130832 0.6382118), wk = 0.0021930 k( 362) = ( -0.3891820 0.4974165 0.6382118), wk = 0.0021930 k( 363) = ( -0.3944591 0.4817498 0.6382118), wk = 0.0021930 k( 364) = ( -0.3997361 0.4660831 0.6382118), wk = 0.0021930 k( 365) = ( -0.4050132 0.4504165 0.6382118), wk = 0.0021930 k( 366) = ( -0.4102902 0.4347498 0.6382118), wk = 0.0021930 k( 367) = ( -0.4155672 0.4190831 0.6382118), wk = 0.0021930 k( 368) = ( -0.4208443 0.4034164 0.6382118), wk = 0.0021930 k( 369) = ( -0.4261214 0.3877497 0.6382118), wk = 0.0021930 k( 370) = ( -0.4313984 0.3720831 0.6382118), wk = 0.0021930 k( 371) = ( -0.4366754 0.3564164 0.6382118), wk = 0.0021930 k( 372) = ( -0.4419525 0.3407497 0.6382118), wk = 0.0021930 k( 373) = ( -0.4472295 0.3250831 0.6382118), wk = 0.0021930 k( 374) = ( -0.4525066 0.3094164 0.6382118), wk = 0.0021930 k( 375) = ( -0.4577836 0.2937497 0.6382118), wk = 0.0021930 k( 376) = ( -0.4630607 0.2780830 0.6382118), wk = 0.0021930 k( 377) = ( -0.4683377 0.2624163 0.6382118), wk = 0.0021930 k( 378) = ( -0.4736148 0.2467496 0.6382118), wk = 0.0021930 k( 379) = ( -0.4788918 0.2310830 0.6382118), wk = 0.0021930 k( 380) = ( -0.4841689 0.2154163 0.6382118), wk = 0.0021930 k( 381) = ( -0.4894459 0.1997496 0.6382118), wk = 0.0021930 k( 382) = ( -0.4947229 0.1840830 0.6382118), wk = 0.0021930 k( 383) = ( -0.5000000 0.1684163 0.6382118), wk = 0.0021930 k( 384) = ( -0.5000000 0.1684163 0.6382118), wk = 0.0021930 k( 385) = ( -0.5000000 0.1684163 0.6218474), wk = 0.0021930 k( 386) = ( -0.5000000 0.1684163 0.6054830), wk = 0.0021930 k( 387) = ( -0.5000000 0.1684163 0.5891186), wk = 0.0021930 k( 388) = ( -0.5000000 0.1684163 0.5727542), wk = 0.0021930 k( 389) = ( -0.5000000 0.1684163 0.5563898), wk = 0.0021930 k( 390) = ( -0.5000000 0.1684163 0.5400254), wk = 0.0021930 k( 391) = ( -0.5000000 0.1684163 0.5236610), wk = 0.0021930 k( 392) = ( -0.5000000 0.1684163 0.5072966), wk = 0.0021930 k( 393) = ( -0.5000000 0.1684163 0.4909321), wk = 0.0021930 k( 394) = ( -0.5000000 0.1684163 0.4745677), wk = 0.0021930 k( 395) = ( -0.5000000 0.1684163 0.4582033), wk = 0.0021930 k( 396) = ( -0.5000000 0.1684163 0.4418389), wk = 0.0021930 k( 397) = ( -0.5000000 0.1684163 0.4254745), wk = 0.0021930 k( 398) = ( -0.5000000 0.1684163 0.4091101), wk = 0.0021930 k( 399) = ( -0.5000000 0.1684163 0.3927457), wk = 0.0021930 k( 400) = ( -0.5000000 0.1684163 0.3763813), wk = 0.0021930 k( 401) = ( -0.5000000 0.1684163 0.3600169), wk = 0.0021930 k( 402) = ( -0.5000000 0.1684163 0.3436525), wk = 0.0021930 k( 403) = ( -0.5000000 0.1684163 0.3272881), wk = 0.0021930 k( 404) = ( -0.5000000 0.1684163 0.3109237), wk = 0.0021930 k( 405) = ( -0.5000000 0.1684163 0.2945593), wk = 0.0021930 k( 406) = ( -0.5000000 0.1684163 0.2781949), wk = 0.0021930 k( 407) = ( -0.5000000 0.1684163 0.2618305), wk = 0.0021930 k( 408) = ( -0.5000000 0.1684163 0.2454661), wk = 0.0021930 k( 409) = ( -0.5000000 0.1684163 0.2291017), wk = 0.0021930 k( 410) = ( -0.5000000 0.1684163 0.2127373), wk = 0.0021930 k( 411) = ( -0.5000000 0.1684163 0.1963729), wk = 0.0021930 k( 412) = ( -0.5000000 0.1684163 0.1800085), wk = 0.0021930 k( 413) = ( -0.5000000 0.1684163 0.1636441), wk = 0.0021930 k( 414) = ( -0.5000000 0.1684163 0.1472797), wk = 0.0021930 k( 415) = ( -0.5000000 0.1684163 0.1309152), wk = 0.0021930 k( 416) = ( -0.5000000 0.1684163 0.1145508), wk = 0.0021930 k( 417) = ( -0.5000000 0.1684163 0.0981864), wk = 0.0021930 k( 418) = ( -0.5000000 0.1684163 0.0818220), wk = 0.0021930 k( 419) = ( -0.5000000 0.1684163 0.0654576), wk = 0.0021930 k( 420) = ( -0.5000000 0.1684163 0.0490932), wk = 0.0021930 k( 421) = ( -0.5000000 0.1684163 0.0327288), wk = 0.0021930 k( 422) = ( -0.5000000 0.1684163 0.0163644), wk = 0.0021930 k( 423) = ( -0.5000000 0.1684163 0.0000000), wk = 0.0021930 k( 424) = ( 0.0000000 0.0000000 0.6382118), wk = 0.0021930 k( 425) = ( -0.0156250 0.0052630 0.6382118), wk = 0.0021930 k( 426) = ( -0.0312500 0.0105260 0.6382118), wk = 0.0021930 k( 427) = ( -0.0468750 0.0157890 0.6382118), wk = 0.0021930 k( 428) = ( -0.0625000 0.0210520 0.6382118), wk = 0.0021930 k( 429) = ( -0.0781250 0.0263150 0.6382118), wk = 0.0021930 k( 430) = ( -0.0937500 0.0315781 0.6382118), wk = 0.0021930 k( 431) = ( -0.1093750 0.0368411 0.6382118), wk = 0.0021930 k( 432) = ( -0.1250000 0.0421041 0.6382118), wk = 0.0021930 k( 433) = ( -0.1406250 0.0473671 0.6382118), wk = 0.0021930 k( 434) = ( -0.1562500 0.0526301 0.6382118), wk = 0.0021930 k( 435) = ( -0.1718750 0.0578931 0.6382118), wk = 0.0021930 k( 436) = ( -0.1875000 0.0631561 0.6382118), wk = 0.0021930 k( 437) = ( -0.2031250 0.0684191 0.6382118), wk = 0.0021930 k( 438) = ( -0.2187500 0.0736821 0.6382118), wk = 0.0021930 k( 439) = ( -0.2343750 0.0789451 0.6382118), wk = 0.0021930 k( 440) = ( -0.2500000 0.0842081 0.6382118), wk = 0.0021930 k( 441) = ( -0.2656250 0.0894711 0.6382118), wk = 0.0021930 k( 442) = ( -0.2812500 0.0947342 0.6382118), wk = 0.0021930 k( 443) = ( -0.2968750 0.0999972 0.6382118), wk = 0.0021930 k( 444) = ( -0.3125000 0.1052602 0.6382118), wk = 0.0021930 k( 445) = ( -0.3281250 0.1105232 0.6382118), wk = 0.0021930 k( 446) = ( -0.3437500 0.1157862 0.6382118), wk = 0.0021930 k( 447) = ( -0.3593750 0.1210492 0.6382118), wk = 0.0021930 k( 448) = ( -0.3750000 0.1263122 0.6382118), wk = 0.0021930 k( 449) = ( -0.3906250 0.1315752 0.6382118), wk = 0.0021930 k( 450) = ( -0.4062500 0.1368382 0.6382118), wk = 0.0021930 k( 451) = ( -0.4218750 0.1421012 0.6382118), wk = 0.0021930 k( 452) = ( -0.4375000 0.1473642 0.6382118), wk = 0.0021930 k( 453) = ( -0.4531250 0.1526272 0.6382118), wk = 0.0021930 k( 454) = ( -0.4687500 0.1578903 0.6382118), wk = 0.0021930 k( 455) = ( -0.4843750 0.1631533 0.6382118), wk = 0.0021930 k( 456) = ( -0.5000000 0.1684163 0.6382118), wk = 0.0021930 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 2) = ( 0.0052521 0.0052522 -0.0000000), wk = 0.0021930 k( 3) = ( 0.0105043 0.0105043 -0.0000000), wk = 0.0021930 k( 4) = ( 0.0157565 0.0157565 0.0000000), wk = 0.0021930 k( 5) = ( 0.0210086 0.0210086 0.0000000), wk = 0.0021930 k( 6) = ( 0.0262608 0.0262608 0.0000000), wk = 0.0021930 k( 7) = ( 0.0315129 0.0315129 0.0000000), wk = 0.0021930 k( 8) = ( 0.0367651 0.0367651 0.0000000), wk = 0.0021930 k( 9) = ( 0.0420172 0.0420172 0.0000000), wk = 0.0021930 k( 10) = ( 0.0472694 0.0472694 0.0000000), wk = 0.0021930 k( 11) = ( 0.0525215 0.0525215 0.0000000), wk = 0.0021930 k( 12) = ( 0.0577737 0.0577737 -0.0000000), wk = 0.0021930 k( 13) = ( 0.0630258 0.0630258 0.0000000), wk = 0.0021930 k( 14) = ( 0.0682780 0.0682780 0.0000000), wk = 0.0021930 k( 15) = ( 0.0735301 0.0735301 0.0000000), wk = 0.0021930 k( 16) = ( 0.0787823 0.0787823 -0.0000000), wk = 0.0021930 k( 17) = ( 0.0840344 0.0840344 0.0000000), wk = 0.0021930 k( 18) = ( 0.0892866 0.0892866 0.0000000), wk = 0.0021930 k( 19) = ( 0.0945387 0.0945387 0.0000000), wk = 0.0021930 k( 20) = ( 0.0997909 0.0997909 0.0000000), wk = 0.0021930 k( 21) = ( 0.1050430 0.1050430 0.0000000), wk = 0.0021930 k( 22) = ( 0.1102952 0.1102952 0.0000000), wk = 0.0021930 k( 23) = ( 0.1155473 0.1155473 -0.0000000), wk = 0.0021930 k( 24) = ( 0.1207995 0.1207995 0.0000000), wk = 0.0021930 k( 25) = ( 0.1260516 0.1260516 0.0000000), wk = 0.0021930 k( 26) = ( 0.1313038 0.1313038 0.0000000), wk = 0.0021930 k( 27) = ( 0.1365559 0.1365559 0.0000000), wk = 0.0021930 k( 28) = ( 0.1418081 0.1418081 0.0000000), wk = 0.0021930 k( 29) = ( 0.1470603 0.1470603 0.0000000), wk = 0.0021930 k( 30) = ( 0.1523124 0.1523124 -0.0000000), wk = 0.0021930 k( 31) = ( 0.1575645 0.1575646 0.0000000), wk = 0.0021930 k( 32) = ( 0.1628167 0.1628167 0.0000000), wk = 0.0021930 k( 33) = ( 0.1680688 0.1680689 0.0000000), wk = 0.0021930 k( 34) = ( 0.1733210 0.1733210 0.0000000), wk = 0.0021930 k( 35) = ( 0.1785732 0.1785732 0.0000000), wk = 0.0021930 k( 36) = ( 0.1838253 0.1838253 0.0000000), wk = 0.0021930 k( 37) = ( 0.1890775 0.1890775 0.0000000), wk = 0.0021930 k( 38) = ( 0.1943296 0.1943296 0.0000000), wk = 0.0021930 k( 39) = ( 0.1995818 0.1995818 0.0000000), wk = 0.0021930 k( 40) = ( 0.2048339 0.2048339 0.0000000), wk = 0.0021930 k( 41) = ( 0.2100861 0.2100861 0.0000000), wk = 0.0021930 k( 42) = ( 0.2153382 0.2153382 0.0000000), wk = 0.0021930 k( 43) = ( 0.2205904 0.2205904 0.0000000), wk = 0.0021930 k( 44) = ( 0.2258425 0.2258425 0.0000000), wk = 0.0021930 k( 45) = ( 0.2310947 0.2310947 -0.0000000), wk = 0.0021930 k( 46) = ( 0.2363468 0.2363468 0.0000000), wk = 0.0021930 k( 47) = ( 0.2415990 0.2415990 0.0000000), wk = 0.0021930 k( 48) = ( 0.2468511 0.2468511 0.0000000), wk = 0.0021930 k( 49) = ( 0.2521033 0.2521033 0.0000000), wk = 0.0021930 k( 50) = ( 0.2573554 0.2573554 0.0000000), wk = 0.0021930 k( 51) = ( 0.2626076 0.2626076 0.0000000), wk = 0.0021930 k( 52) = ( 0.2678597 0.2678597 0.0000000), wk = 0.0021930 k( 53) = ( 0.2731119 0.2731119 0.0000000), wk = 0.0021930 k( 54) = ( 0.2783640 0.2783640 0.0000000), wk = 0.0021930 k( 55) = ( 0.2783640 0.2783640 0.0000000), wk = 0.0021930 k( 56) = ( 0.2619897 0.2914015 0.0000000), wk = 0.0021930 k( 57) = ( 0.2456153 0.3044389 0.0000000), wk = 0.0021930 k( 58) = ( 0.2292410 0.3174763 0.0000000), wk = 0.0021930 k( 59) = ( 0.2128666 0.3305137 0.0000000), wk = 0.0021930 k( 60) = ( 0.1964923 0.3435511 0.0000000), wk = 0.0021930 k( 61) = ( 0.1801179 0.3565885 -0.0000000), wk = 0.0021930 k( 62) = ( 0.1637435 0.3696259 0.0000000), wk = 0.0021930 k( 63) = ( 0.1473692 0.3826633 -0.0000000), wk = 0.0021930 k( 64) = ( 0.1309948 0.3957007 0.0000000), wk = 0.0021930 k( 65) = ( 0.1146205 0.4087381 -0.0000000), wk = 0.0021930 k( 66) = ( 0.0982461 0.4217755 -0.0000000), wk = 0.0021930 k( 67) = ( 0.0818718 0.4348130 0.0000000), wk = 0.0021930 k( 68) = ( 0.0654974 0.4478504 0.0000000), wk = 0.0021930 k( 69) = ( 0.0491231 0.4608878 -0.0000000), wk = 0.0021930 k( 70) = ( 0.0327487 0.4739252 -0.0000000), wk = 0.0021930 k( 71) = ( 0.0163744 0.4869626 0.0000000), wk = 0.0021930 k( 72) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021930 k( 73) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021930 k( 74) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0021930 k( 75) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0021930 k( 76) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0021930 k( 77) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0021930 k( 78) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0021930 k( 79) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0021930 k( 80) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0021930 k( 81) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0021930 k( 82) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0021930 k( 83) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0021930 k( 84) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0021930 k( 85) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0021930 k( 86) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021930 k( 87) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0021930 k( 88) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0021930 k( 89) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0021930 k( 90) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0021930 k( 91) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0021930 k( 92) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0021930 k( 93) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0021930 k( 94) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0021930 k( 95) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0021930 k( 96) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0021930 k( 97) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0021930 k( 98) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0021930 k( 99) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021930 k( 100) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0021930 k( 101) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0021930 k( 102) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0021930 k( 103) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0021930 k( 104) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0021930 k( 105) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0021930 k( 106) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0021930 k( 107) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0021930 k( 108) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0021930 k( 109) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0021930 k( 110) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0021930 k( 111) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0021930 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021930 k( 113) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021930 k( 114) = ( 0.0163744 0.4869626 0.5000000), wk = 0.0021930 k( 115) = ( 0.0327487 0.4739252 0.5000000), wk = 0.0021930 k( 116) = ( 0.0491231 0.4608878 0.5000000), wk = 0.0021930 k( 117) = ( 0.0654974 0.4478504 0.5000000), wk = 0.0021930 k( 118) = ( 0.0818718 0.4348130 0.5000000), wk = 0.0021930 k( 119) = ( 0.0982461 0.4217755 0.5000000), wk = 0.0021930 k( 120) = ( 0.1146205 0.4087381 0.5000000), wk = 0.0021930 k( 121) = ( 0.1309948 0.3957007 0.5000000), wk = 0.0021930 k( 122) = ( 0.1473692 0.3826633 0.5000000), wk = 0.0021930 k( 123) = ( 0.1637435 0.3696259 0.5000000), wk = 0.0021930 k( 124) = ( 0.1801179 0.3565885 0.5000000), wk = 0.0021930 k( 125) = ( 0.1964923 0.3435511 0.5000000), wk = 0.0021930 k( 126) = ( 0.2128666 0.3305137 0.5000000), wk = 0.0021930 k( 127) = ( 0.2292410 0.3174763 0.5000000), wk = 0.0021930 k( 128) = ( 0.2456153 0.3044389 0.5000000), wk = 0.0021930 k( 129) = ( 0.2619897 0.2914015 0.5000000), wk = 0.0021930 k( 130) = ( 0.2783640 0.2783640 0.5000000), wk = 0.0021930 k( 131) = ( 0.2783640 0.2783640 0.5000000), wk = 0.0021930 k( 132) = ( 0.2731119 0.2731119 0.5000000), wk = 0.0021930 k( 133) = ( 0.2678597 0.2678597 0.5000000), wk = 0.0021930 k( 134) = ( 0.2626076 0.2626076 0.5000000), wk = 0.0021930 k( 135) = ( 0.2573554 0.2573554 0.5000000), wk = 0.0021930 k( 136) = ( 0.2521033 0.2521033 0.5000000), wk = 0.0021930 k( 137) = ( 0.2468511 0.2468511 0.5000000), wk = 0.0021930 k( 138) = ( 0.2415990 0.2415990 0.5000000), wk = 0.0021930 k( 139) = ( 0.2363468 0.2363468 0.5000000), wk = 0.0021930 k( 140) = ( 0.2310947 0.2310947 0.5000000), wk = 0.0021930 k( 141) = ( 0.2258425 0.2258425 0.5000000), wk = 0.0021930 k( 142) = ( 0.2205904 0.2205904 0.5000000), wk = 0.0021930 k( 143) = ( 0.2153382 0.2153382 0.5000000), wk = 0.0021930 k( 144) = ( 0.2100861 0.2100861 0.5000000), wk = 0.0021930 k( 145) = ( 0.2048339 0.2048339 0.5000000), wk = 0.0021930 k( 146) = ( 0.1995818 0.1995818 0.5000000), wk = 0.0021930 k( 147) = ( 0.1943296 0.1943296 0.5000000), wk = 0.0021930 k( 148) = ( 0.1890775 0.1890775 0.5000000), wk = 0.0021930 k( 149) = ( 0.1838253 0.1838253 0.5000000), wk = 0.0021930 k( 150) = ( 0.1785732 0.1785732 0.5000000), wk = 0.0021930 k( 151) = ( 0.1733210 0.1733210 0.5000000), wk = 0.0021930 k( 152) = ( 0.1680688 0.1680689 0.5000000), wk = 0.0021930 k( 153) = ( 0.1628167 0.1628167 0.5000000), wk = 0.0021930 k( 154) = ( 0.1575645 0.1575646 0.5000000), wk = 0.0021930 k( 155) = ( 0.1523124 0.1523124 0.5000000), wk = 0.0021930 k( 156) = ( 0.1470603 0.1470603 0.5000000), wk = 0.0021930 k( 157) = ( 0.1418081 0.1418081 0.5000000), wk = 0.0021930 k( 158) = ( 0.1365559 0.1365559 0.5000000), wk = 0.0021930 k( 159) = ( 0.1313038 0.1313038 0.5000000), wk = 0.0021930 k( 160) = ( 0.1260516 0.1260516 0.5000000), wk = 0.0021930 k( 161) = ( 0.1207995 0.1207995 0.5000000), wk = 0.0021930 k( 162) = ( 0.1155473 0.1155473 0.5000000), wk = 0.0021930 k( 163) = ( 0.1102952 0.1102952 0.5000000), wk = 0.0021930 k( 164) = ( 0.1050430 0.1050430 0.5000000), wk = 0.0021930 k( 165) = ( 0.0997909 0.0997909 0.5000000), wk = 0.0021930 k( 166) = ( 0.0945387 0.0945387 0.5000000), wk = 0.0021930 k( 167) = ( 0.0892866 0.0892866 0.5000000), wk = 0.0021930 k( 168) = ( 0.0840344 0.0840344 0.5000000), wk = 0.0021930 k( 169) = ( 0.0787823 0.0787823 0.5000000), wk = 0.0021930 k( 170) = ( 0.0735301 0.0735301 0.5000000), wk = 0.0021930 k( 171) = ( 0.0682780 0.0682780 0.5000000), wk = 0.0021930 k( 172) = ( 0.0630258 0.0630258 0.5000000), wk = 0.0021930 k( 173) = ( 0.0577737 0.0577737 0.5000000), wk = 0.0021930 k( 174) = ( 0.0525215 0.0525215 0.5000000), wk = 0.0021930 k( 175) = ( 0.0472694 0.0472694 0.5000000), wk = 0.0021930 k( 176) = ( 0.0420172 0.0420172 0.5000000), wk = 0.0021930 k( 177) = ( 0.0367651 0.0367651 0.5000000), wk = 0.0021930 k( 178) = ( 0.0315129 0.0315129 0.5000000), wk = 0.0021930 k( 179) = ( 0.0262608 0.0262608 0.5000000), wk = 0.0021930 k( 180) = ( 0.0210086 0.0210086 0.5000000), wk = 0.0021930 k( 181) = ( 0.0157565 0.0157565 0.5000000), wk = 0.0021930 k( 182) = ( 0.0105043 0.0105043 0.5000000), wk = 0.0021930 k( 183) = ( 0.0052521 0.0052522 0.5000000), wk = 0.0021930 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 186) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0021930 k( 187) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0021930 k( 188) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0021930 k( 189) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0021930 k( 190) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0021930 k( 191) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0021930 k( 192) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0021930 k( 193) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0021930 k( 194) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0021930 k( 195) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0021930 k( 196) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0021930 k( 197) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0021930 k( 198) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021930 k( 199) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0021930 k( 200) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0021930 k( 201) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0021930 k( 202) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0021930 k( 203) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0021930 k( 204) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0021930 k( 205) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0021930 k( 206) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0021930 k( 207) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0021930 k( 208) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0021930 k( 209) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0021930 k( 210) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0021930 k( 211) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021930 k( 212) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0021930 k( 213) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0021930 k( 214) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0021930 k( 215) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0021930 k( 216) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0021930 k( 217) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0021930 k( 218) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0021930 k( 219) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0021930 k( 220) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0021930 k( 221) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0021930 k( 222) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0021930 k( 223) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0021930 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 226) = ( -0.0156250 0.0156250 -0.0000000), wk = 0.0021930 k( 227) = ( -0.0312500 0.0312500 -0.0000000), wk = 0.0021930 k( 228) = ( -0.0468750 0.0468750 0.0000000), wk = 0.0021930 k( 229) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0021930 k( 230) = ( -0.0781250 0.0781250 -0.0000000), wk = 0.0021930 k( 231) = ( -0.0937500 0.0937500 0.0000000), wk = 0.0021930 k( 232) = ( -0.1093750 0.1093750 0.0000000), wk = 0.0021930 k( 233) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0021930 k( 234) = ( -0.1406250 0.1406250 -0.0000000), wk = 0.0021930 k( 235) = ( -0.1562500 0.1562500 -0.0000000), wk = 0.0021930 k( 236) = ( -0.1718750 0.1718750 -0.0000000), wk = 0.0021930 k( 237) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0021930 k( 238) = ( -0.2031250 0.2031250 0.0000000), wk = 0.0021930 k( 239) = ( -0.2187500 0.2187500 0.0000000), wk = 0.0021930 k( 240) = ( -0.2343750 0.2343750 0.0000000), wk = 0.0021930 k( 241) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0021930 k( 242) = ( -0.2656250 0.2656250 -0.0000000), wk = 0.0021930 k( 243) = ( -0.2812500 0.2812500 -0.0000000), wk = 0.0021930 k( 244) = ( -0.2968750 0.2968750 0.0000000), wk = 0.0021930 k( 245) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0021930 k( 246) = ( -0.3281250 0.3281250 -0.0000000), wk = 0.0021930 k( 247) = ( -0.3437500 0.3437500 -0.0000000), wk = 0.0021930 k( 248) = ( -0.3593750 0.3593750 -0.0000000), wk = 0.0021930 k( 249) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0021930 k( 250) = ( -0.3906250 0.3906250 -0.0000000), wk = 0.0021930 k( 251) = ( -0.4062500 0.4062500 0.0000000), wk = 0.0021930 k( 252) = ( -0.4218750 0.4218750 0.0000000), wk = 0.0021930 k( 253) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0021930 k( 254) = ( -0.4531250 0.4531250 -0.0000000), wk = 0.0021930 k( 255) = ( -0.4687500 0.4687500 0.0000000), wk = 0.0021930 k( 256) = ( -0.4843750 0.4843750 0.0000000), wk = 0.0021930 k( 257) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021930 k( 258) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021930 k( 259) = ( -0.4947229 0.5052771 -0.0000000), wk = 0.0021930 k( 260) = ( -0.4894459 0.5105541 0.0000000), wk = 0.0021930 k( 261) = ( -0.4841689 0.5158311 -0.0000000), wk = 0.0021930 k( 262) = ( -0.4788918 0.5211082 -0.0000000), wk = 0.0021930 k( 263) = ( -0.4736148 0.5263852 0.0000000), wk = 0.0021930 k( 264) = ( -0.4683377 0.5316623 0.0000000), wk = 0.0021930 k( 265) = ( -0.4630607 0.5369393 -0.0000000), wk = 0.0021930 k( 266) = ( -0.4577836 0.5422164 0.0000000), wk = 0.0021930 k( 267) = ( -0.4525066 0.5474934 0.0000000), wk = 0.0021930 k( 268) = ( -0.4472295 0.5527705 -0.0000000), wk = 0.0021930 k( 269) = ( -0.4419525 0.5580475 0.0000000), wk = 0.0021930 k( 270) = ( -0.4366754 0.5633246 0.0000000), wk = 0.0021930 k( 271) = ( -0.4313984 0.5686016 0.0000000), wk = 0.0021930 k( 272) = ( -0.4261214 0.5738787 -0.0000000), wk = 0.0021930 k( 273) = ( -0.4208443 0.5791557 0.0000000), wk = 0.0021930 k( 274) = ( -0.4155672 0.5844327 -0.0000000), wk = 0.0021930 k( 275) = ( -0.4102902 0.5897098 -0.0000000), wk = 0.0021930 k( 276) = ( -0.4050132 0.5949868 0.0000000), wk = 0.0021930 k( 277) = ( -0.3997361 0.6002639 0.0000000), wk = 0.0021930 k( 278) = ( -0.3944591 0.6055409 0.0000000), wk = 0.0021930 k( 279) = ( -0.3891820 0.6108180 0.0000000), wk = 0.0021930 k( 280) = ( -0.3839050 0.6160950 -0.0000000), wk = 0.0021930 k( 281) = ( -0.3786279 0.6213721 0.0000000), wk = 0.0021930 k( 282) = ( -0.3733509 0.6266491 0.0000000), wk = 0.0021930 k( 283) = ( -0.3680738 0.6319262 0.0000000), wk = 0.0021930 k( 284) = ( -0.3627968 0.6372032 0.0000000), wk = 0.0021930 k( 285) = ( -0.3575197 0.6424803 0.0000000), wk = 0.0021930 k( 286) = ( -0.3522427 0.6477573 -0.0000000), wk = 0.0021930 k( 287) = ( -0.3469657 0.6530343 0.0000000), wk = 0.0021930 k( 288) = ( -0.3416886 0.6583114 -0.0000000), wk = 0.0021930 k( 289) = ( -0.3364116 0.6635884 0.0000000), wk = 0.0021930 k( 290) = ( -0.3311345 0.6688655 0.0000000), wk = 0.0021930 k( 291) = ( -0.3258575 0.6741425 -0.0000000), wk = 0.0021930 k( 292) = ( -0.3205804 0.6794196 0.0000000), wk = 0.0021930 k( 293) = ( -0.3153034 0.6846966 0.0000000), wk = 0.0021930 k( 294) = ( -0.3100263 0.6899737 -0.0000000), wk = 0.0021930 k( 295) = ( -0.3047493 0.6952507 0.0000000), wk = 0.0021930 k( 296) = ( -0.2994722 0.7005278 0.0000000), wk = 0.0021930 k( 297) = ( -0.2941952 0.7058048 0.0000000), wk = 0.0021930 k( 298) = ( -0.2889181 0.7110819 -0.0000000), wk = 0.0021930 k( 299) = ( -0.2836411 0.7163589 0.0000000), wk = 0.0021930 k( 300) = ( -0.2783640 0.7216360 0.0000000), wk = 0.0021930 k( 301) = ( -0.2783640 0.7216360 0.0000000), wk = 0.0021930 k( 302) = ( -0.2783640 0.7216360 0.0128205), wk = 0.0021930 k( 303) = ( -0.2783640 0.7216360 0.0256410), wk = 0.0021930 k( 304) = ( -0.2783640 0.7216360 0.0384615), wk = 0.0021930 k( 305) = ( -0.2783640 0.7216360 0.0512821), wk = 0.0021930 k( 306) = ( -0.2783640 0.7216360 0.0641026), wk = 0.0021930 k( 307) = ( -0.2783640 0.7216360 0.0769231), wk = 0.0021930 k( 308) = ( -0.2783640 0.7216360 0.0897436), wk = 0.0021930 k( 309) = ( -0.2783640 0.7216360 0.1025641), wk = 0.0021930 k( 310) = ( -0.2783640 0.7216360 0.1153846), wk = 0.0021930 k( 311) = ( -0.2783640 0.7216360 0.1282051), wk = 0.0021930 k( 312) = ( -0.2783640 0.7216360 0.1410256), wk = 0.0021930 k( 313) = ( -0.2783640 0.7216360 0.1538461), wk = 0.0021930 k( 314) = ( -0.2783640 0.7216360 0.1666667), wk = 0.0021930 k( 315) = ( -0.2783640 0.7216360 0.1794872), wk = 0.0021930 k( 316) = ( -0.2783640 0.7216360 0.1923077), wk = 0.0021930 k( 317) = ( -0.2783640 0.7216360 0.2051282), wk = 0.0021930 k( 318) = ( -0.2783640 0.7216360 0.2179487), wk = 0.0021930 k( 319) = ( -0.2783640 0.7216360 0.2307692), wk = 0.0021930 k( 320) = ( -0.2783640 0.7216360 0.2435897), wk = 0.0021930 k( 321) = ( -0.2783640 0.7216360 0.2564103), wk = 0.0021930 k( 322) = ( -0.2783640 0.7216360 0.2692308), wk = 0.0021930 k( 323) = ( -0.2783640 0.7216360 0.2820513), wk = 0.0021930 k( 324) = ( -0.2783640 0.7216360 0.2948718), wk = 0.0021930 k( 325) = ( -0.2783640 0.7216360 0.3076923), wk = 0.0021930 k( 326) = ( -0.2783640 0.7216360 0.3205128), wk = 0.0021930 k( 327) = ( -0.2783640 0.7216360 0.3333333), wk = 0.0021930 k( 328) = ( -0.2783640 0.7216360 0.3461538), wk = 0.0021930 k( 329) = ( -0.2783640 0.7216360 0.3589744), wk = 0.0021930 k( 330) = ( -0.2783640 0.7216360 0.3717949), wk = 0.0021930 k( 331) = ( -0.2783640 0.7216360 0.3846154), wk = 0.0021930 k( 332) = ( -0.2783640 0.7216360 0.3974359), wk = 0.0021930 k( 333) = ( -0.2783640 0.7216360 0.4102564), wk = 0.0021930 k( 334) = ( -0.2783640 0.7216360 0.4230769), wk = 0.0021930 k( 335) = ( -0.2783640 0.7216360 0.4358974), wk = 0.0021930 k( 336) = ( -0.2783640 0.7216360 0.4487179), wk = 0.0021930 k( 337) = ( -0.2783640 0.7216360 0.4615385), wk = 0.0021930 k( 338) = ( -0.2783640 0.7216360 0.4743590), wk = 0.0021930 k( 339) = ( -0.2783640 0.7216360 0.4871795), wk = 0.0021930 k( 340) = ( -0.2783640 0.7216360 0.5000000), wk = 0.0021930 k( 341) = ( -0.2783640 0.7216360 0.5000000), wk = 0.0021930 k( 342) = ( -0.2836411 0.7163589 0.5000000), wk = 0.0021930 k( 343) = ( -0.2889181 0.7110819 0.5000000), wk = 0.0021930 k( 344) = ( -0.2941952 0.7058048 0.5000000), wk = 0.0021930 k( 345) = ( -0.2994722 0.7005278 0.5000000), wk = 0.0021930 k( 346) = ( -0.3047493 0.6952507 0.5000000), wk = 0.0021930 k( 347) = ( -0.3100263 0.6899737 0.5000000), wk = 0.0021930 k( 348) = ( -0.3153034 0.6846966 0.5000000), wk = 0.0021930 k( 349) = ( -0.3205804 0.6794196 0.5000000), wk = 0.0021930 k( 350) = ( -0.3258575 0.6741425 0.5000000), wk = 0.0021930 k( 351) = ( -0.3311345 0.6688655 0.5000000), wk = 0.0021930 k( 352) = ( -0.3364116 0.6635884 0.5000000), wk = 0.0021930 k( 353) = ( -0.3416886 0.6583114 0.5000000), wk = 0.0021930 k( 354) = ( -0.3469657 0.6530343 0.5000000), wk = 0.0021930 k( 355) = ( -0.3522427 0.6477573 0.5000000), wk = 0.0021930 k( 356) = ( -0.3575197 0.6424803 0.5000000), wk = 0.0021930 k( 357) = ( -0.3627968 0.6372032 0.5000000), wk = 0.0021930 k( 358) = ( -0.3680738 0.6319262 0.5000000), wk = 0.0021930 k( 359) = ( -0.3733509 0.6266491 0.5000000), wk = 0.0021930 k( 360) = ( -0.3786279 0.6213721 0.5000000), wk = 0.0021930 k( 361) = ( -0.3839050 0.6160950 0.5000000), wk = 0.0021930 k( 362) = ( -0.3891820 0.6108180 0.5000000), wk = 0.0021930 k( 363) = ( -0.3944591 0.6055409 0.5000000), wk = 0.0021930 k( 364) = ( -0.3997361 0.6002639 0.5000000), wk = 0.0021930 k( 365) = ( -0.4050132 0.5949868 0.5000000), wk = 0.0021930 k( 366) = ( -0.4102902 0.5897098 0.5000000), wk = 0.0021930 k( 367) = ( -0.4155672 0.5844327 0.5000000), wk = 0.0021930 k( 368) = ( -0.4208443 0.5791557 0.5000000), wk = 0.0021930 k( 369) = ( -0.4261214 0.5738787 0.5000000), wk = 0.0021930 k( 370) = ( -0.4313984 0.5686016 0.5000000), wk = 0.0021930 k( 371) = ( -0.4366754 0.5633246 0.5000000), wk = 0.0021930 k( 372) = ( -0.4419525 0.5580475 0.5000000), wk = 0.0021930 k( 373) = ( -0.4472295 0.5527705 0.5000000), wk = 0.0021930 k( 374) = ( -0.4525066 0.5474934 0.5000000), wk = 0.0021930 k( 375) = ( -0.4577836 0.5422164 0.5000000), wk = 0.0021930 k( 376) = ( -0.4630607 0.5369393 0.5000000), wk = 0.0021930 k( 377) = ( -0.4683377 0.5316623 0.5000000), wk = 0.0021930 k( 378) = ( -0.4736148 0.5263852 0.5000000), wk = 0.0021930 k( 379) = ( -0.4788918 0.5211082 0.5000000), wk = 0.0021930 k( 380) = ( -0.4841689 0.5158311 0.5000000), wk = 0.0021930 k( 381) = ( -0.4894459 0.5105541 0.5000000), wk = 0.0021930 k( 382) = ( -0.4947229 0.5052771 0.5000000), wk = 0.0021930 k( 383) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021930 k( 384) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021930 k( 385) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0021930 k( 386) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0021930 k( 387) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0021930 k( 388) = ( -0.5000000 0.5000000 0.4487179), wk = 0.0021930 k( 389) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0021930 k( 390) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0021930 k( 391) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0021930 k( 392) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0021930 k( 393) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0021930 k( 394) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0021930 k( 395) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0021930 k( 396) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0021930 k( 397) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0021930 k( 398) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0021930 k( 399) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0021930 k( 400) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0021930 k( 401) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0021930 k( 402) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0021930 k( 403) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0021930 k( 404) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0021930 k( 405) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0021930 k( 406) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0021930 k( 407) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0021930 k( 408) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0021930 k( 409) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0021930 k( 410) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0021930 k( 411) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0021930 k( 412) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0021930 k( 413) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0021930 k( 414) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0021930 k( 415) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0021930 k( 416) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0021930 k( 417) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0021930 k( 418) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0021930 k( 419) = ( -0.5000000 0.5000000 0.0512820), wk = 0.0021930 k( 420) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0021930 k( 421) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0021930 k( 422) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0021930 k( 423) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021930 k( 424) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 425) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0021930 k( 426) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0021930 k( 427) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0021930 k( 428) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0021930 k( 429) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0021930 k( 430) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0021930 k( 431) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0021930 k( 432) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0021930 k( 433) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0021930 k( 434) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0021930 k( 435) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0021930 k( 436) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0021930 k( 437) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0021930 k( 438) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0021930 k( 439) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0021930 k( 440) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021930 k( 441) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0021930 k( 442) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0021930 k( 443) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0021930 k( 444) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0021930 k( 445) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0021930 k( 446) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0021930 k( 447) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0021930 k( 448) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0021930 k( 449) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0021930 k( 450) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0021930 k( 451) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0021930 k( 452) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0021930 k( 453) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0021930 k( 454) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0021930 k( 455) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0021930 k( 456) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021930 Dense grid: 25835 G-vectors FFT dimensions: ( 48, 48, 40) Smooth grid: 19249 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 152, 44) NL pseudopotentials 0.16 Mb ( 76, 136) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 719) G-vector shells 0.00 Mb ( 374) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 152, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./AgCl.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.7 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.6 secs Computing kpt #: 19 total cpu time spent up to now is 7.9 secs Computing kpt #: 20 total cpu time spent up to now is 8.3 secs Computing kpt #: 21 total cpu time spent up to now is 8.6 secs Computing kpt #: 22 total cpu time spent up to now is 9.0 secs Computing kpt #: 23 total cpu time spent up to now is 9.3 secs Computing kpt #: 24 total cpu time spent up to now is 9.6 secs Computing kpt #: 25 total cpu time spent up to now is 9.9 secs Computing kpt #: 26 total cpu time spent up to now is 10.2 secs Computing kpt #: 27 total cpu time spent up to now is 10.4 secs Computing kpt #: 28 total cpu time spent up to now is 10.7 secs Computing kpt #: 29 total cpu time spent up to now is 11.0 secs Computing kpt #: 30 total cpu time spent up to now is 11.3 secs Computing kpt #: 31 total cpu time spent up to now is 11.5 secs Computing kpt #: 32 total cpu time spent up to now is 11.8 secs Computing kpt #: 33 total cpu time spent up to now is 12.1 secs Computing kpt #: 34 total cpu time spent up to now is 12.4 secs Computing kpt #: 35 total cpu time spent up to now is 12.6 secs Computing kpt #: 36 total cpu time spent up to now is 12.9 secs Computing kpt #: 37 total cpu time spent up to now is 13.2 secs Computing kpt #: 38 total cpu time spent up to now is 13.6 secs Computing kpt #: 39 total cpu time spent up to now is 13.8 secs Computing kpt #: 40 total cpu time spent up to now is 14.1 secs Computing kpt #: 41 total cpu time spent up to now is 14.4 secs Computing kpt #: 42 total cpu time spent up to now is 14.6 secs Computing kpt #: 43 total cpu time spent up to now is 14.9 secs Computing kpt #: 44 total cpu time spent up to now is 15.2 secs Computing kpt #: 45 total cpu time spent up to now is 15.4 secs Computing kpt #: 46 total cpu time spent up to now is 15.7 secs Computing kpt #: 47 total cpu time spent up to now is 16.0 secs Computing kpt #: 48 total cpu time spent up to now is 16.2 secs Computing kpt #: 49 total cpu time spent up to now is 16.5 secs Computing kpt #: 50 total cpu time spent up to now is 16.8 secs Computing kpt #: 51 total cpu time spent up to now is 17.0 secs Computing kpt #: 52 total cpu time spent up to now is 17.3 secs Computing kpt #: 53 total cpu time spent up to now is 17.5 secs Computing kpt #: 54 total cpu time spent up to now is 17.8 secs Computing kpt #: 55 total cpu time spent up to now is 18.0 secs Computing kpt #: 56 total cpu time spent up to now is 18.3 secs Computing kpt #: 57 total cpu time spent up to now is 18.5 secs Computing kpt #: 58 total cpu time spent up to now is 18.8 secs Computing kpt #: 59 total cpu time spent up to now is 19.0 secs Computing kpt #: 60 total cpu time spent up to now is 19.3 secs Computing kpt #: 61 total cpu time spent up to now is 19.5 secs Computing kpt #: 62 total cpu time spent up to now is 19.8 secs Computing kpt #: 63 total cpu time spent up to now is 20.0 secs Computing kpt #: 64 total cpu time spent up to now is 20.3 secs Computing kpt #: 65 total cpu time spent up to now is 20.6 secs Computing kpt #: 66 total cpu time spent up to now is 20.8 secs Computing kpt #: 67 total cpu time spent up to now is 21.1 secs Computing kpt #: 68 total cpu time spent up to now is 21.3 secs Computing kpt #: 69 total cpu time spent up to now is 21.6 secs Computing kpt #: 70 total cpu time spent up to now is 21.9 secs Computing kpt #: 71 total cpu time spent up to now is 22.2 secs Computing kpt #: 72 total cpu time spent up to now is 22.4 secs Computing kpt #: 73 total cpu time spent up to now is 22.7 secs Computing kpt #: 74 total cpu time spent up to now is 23.0 secs Computing kpt #: 75 total cpu time spent up to now is 23.2 secs Computing kpt #: 76 total cpu time spent up to now is 23.5 secs Computing kpt #: 77 total cpu time spent up to now is 23.7 secs Computing kpt #: 78 total cpu time spent up to now is 24.0 secs Computing kpt #: 79 total cpu time spent up to now is 24.2 secs Computing kpt #: 80 total cpu time spent up to now is 24.5 secs Computing kpt #: 81 total cpu time spent up to now is 24.7 secs Computing kpt #: 82 total cpu time spent up to now is 25.0 secs Computing kpt #: 83 total cpu time spent up to now is 25.3 secs Computing kpt #: 84 total cpu time spent up to now is 25.5 secs Computing kpt #: 85 total cpu time spent up to now is 25.8 secs Computing kpt #: 86 total cpu time spent up to now is 26.0 secs Computing kpt #: 87 total cpu time spent up to now is 26.3 secs Computing kpt #: 88 total cpu time spent up to now is 26.5 secs Computing kpt #: 89 total cpu time spent up to now is 26.8 secs Computing kpt #: 90 total cpu time spent up to now is 27.0 secs Computing kpt #: 91 total cpu time spent up to now is 27.3 secs Computing kpt #: 92 total cpu time spent up to now is 27.6 secs Computing kpt #: 93 total cpu time spent up to now is 27.9 secs Computing kpt #: 94 total cpu time spent up to now is 28.1 secs Computing kpt #: 95 total cpu time spent up to now is 28.5 secs Computing kpt #: 96 total cpu time spent up to now is 28.8 secs Computing kpt #: 97 total cpu time spent up to now is 29.1 secs Computing kpt #: 98 total cpu time spent up to now is 29.5 secs Computing kpt #: 99 total cpu time spent up to now is 29.8 secs Computing kpt #: 100 total cpu time spent up to now is 30.1 secs Computing kpt #: 101 total cpu time spent up to now is 30.4 secs Computing kpt #: 102 total cpu time spent up to now is 30.8 secs Computing kpt #: 103 total cpu time spent up to now is 31.1 secs Computing kpt #: 104 total cpu time spent up to now is 31.4 secs Computing kpt #: 105 total cpu time spent up to now is 31.7 secs Computing kpt #: 106 total cpu time spent up to now is 32.0 secs Computing kpt #: 107 total cpu time spent up to now is 32.2 secs Computing kpt #: 108 total cpu time spent up to now is 32.5 secs Computing kpt #: 109 total cpu time spent up to now is 32.8 secs Computing kpt #: 110 total cpu time spent up to now is 33.1 secs Computing kpt #: 111 total cpu time spent up to now is 33.4 secs Computing kpt #: 112 total cpu time spent up to now is 33.6 secs Computing kpt #: 113 total cpu time spent up to now is 33.9 secs Computing kpt #: 114 total cpu time spent up to now is 34.2 secs Computing kpt #: 115 total cpu time spent up to now is 34.5 secs Computing kpt #: 116 total cpu time spent up to now is 34.7 secs Computing kpt #: 117 total cpu time spent up to now is 35.0 secs Computing kpt #: 118 total cpu time spent up to now is 35.3 secs Computing kpt #: 119 total cpu time spent up to now is 35.6 secs Computing kpt #: 120 total cpu time spent up to now is 35.8 secs Computing kpt #: 121 total cpu time spent up to now is 36.1 secs Computing kpt #: 122 total cpu time spent up to now is 36.4 secs Computing kpt #: 123 total cpu time spent up to now is 36.6 secs Computing kpt #: 124 total cpu time spent up to now is 36.9 secs Computing kpt #: 125 total cpu time spent up to now is 37.1 secs Computing kpt #: 126 total cpu time spent up to now is 37.4 secs Computing kpt #: 127 total cpu time spent up to now is 37.6 secs Computing kpt #: 128 total cpu time spent up to now is 37.9 secs Computing kpt #: 129 total cpu time spent up to now is 38.1 secs Computing kpt #: 130 total cpu time spent up to now is 38.4 secs Computing kpt #: 131 total cpu time spent up to now is 38.6 secs Computing kpt #: 132 total cpu time spent up to now is 38.9 secs Computing kpt #: 133 total cpu time spent up to now is 39.1 secs Computing kpt #: 134 total cpu time spent up to now is 39.4 secs Computing kpt #: 135 total cpu time spent up to now is 39.6 secs Computing kpt #: 136 total cpu time spent up to now is 39.9 secs Computing kpt #: 137 total cpu time spent up to now is 40.1 secs Computing kpt #: 138 total cpu time spent up to now is 40.4 secs Computing kpt #: 139 total cpu time spent up to now is 40.6 secs Computing kpt #: 140 total cpu time spent up to now is 40.9 secs Computing kpt #: 141 total cpu time spent up to now is 41.1 secs Computing kpt #: 142 total cpu time spent up to now is 41.4 secs Computing kpt #: 143 total cpu time spent up to now is 41.6 secs Computing kpt #: 144 total cpu time spent up to now is 41.8 secs Computing kpt #: 145 total cpu time spent up to now is 42.1 secs Computing kpt #: 146 total cpu time spent up to now is 42.3 secs Computing kpt #: 147 total cpu time spent up to now is 42.6 secs Computing kpt #: 148 total cpu time spent up to now is 42.8 secs Computing kpt #: 149 total cpu time spent up to now is 43.1 secs Computing kpt #: 150 total cpu time spent up to now is 43.3 secs Computing kpt #: 151 total cpu time spent up to now is 43.6 secs Computing kpt #: 152 total cpu time spent up to now is 43.9 secs Computing kpt #: 153 total cpu time spent up to now is 44.1 secs Computing kpt #: 154 total cpu time spent up to now is 44.4 secs Computing kpt #: 155 total cpu time spent up to now is 44.6 secs Computing kpt #: 156 total cpu time spent up to now is 44.9 secs Computing kpt #: 157 total cpu time spent up to now is 45.1 secs Computing kpt #: 158 total cpu time spent up to now is 45.4 secs Computing kpt #: 159 total cpu time spent up to now is 45.7 secs Computing kpt #: 160 total cpu time spent up to now is 45.9 secs Computing kpt #: 161 total cpu time spent up to now is 46.2 secs Computing kpt #: 162 total cpu time spent up to now is 46.5 secs Computing kpt #: 163 total cpu time spent up to now is 46.7 secs Computing kpt #: 164 total cpu time spent up to now is 47.0 secs Computing kpt #: 165 total cpu time spent up to now is 47.3 secs Computing kpt #: 166 total cpu time spent up to now is 47.6 secs Computing kpt #: 167 total cpu time spent up to now is 47.9 secs Computing kpt #: 168 total cpu time spent up to now is 48.1 secs Computing kpt #: 169 total cpu time spent up to now is 48.4 secs Computing kpt #: 170 total cpu time spent up to now is 48.7 secs Computing kpt #: 171 total cpu time spent up to now is 49.0 secs Computing kpt #: 172 total cpu time spent up to now is 49.3 secs Computing kpt #: 173 total cpu time spent up to now is 49.6 secs Computing kpt #: 174 total cpu time spent up to now is 49.9 secs Computing kpt #: 175 total cpu time spent up to now is 50.2 secs Computing kpt #: 176 total cpu time spent up to now is 50.4 secs Computing kpt #: 177 total cpu time spent up to now is 50.7 secs Computing kpt #: 178 total cpu time spent up to now is 51.0 secs Computing kpt #: 179 total cpu time spent up to now is 51.3 secs Computing kpt #: 180 total cpu time spent up to now is 51.5 secs Computing kpt #: 181 total cpu time spent up to now is 51.8 secs Computing kpt #: 182 total cpu time spent up to now is 52.1 secs Computing kpt #: 183 total cpu time spent up to now is 52.4 secs Computing kpt #: 184 total cpu time spent up to now is 52.7 secs Computing kpt #: 185 total cpu time spent up to now is 52.9 secs Computing kpt #: 186 total cpu time spent up to now is 53.2 secs Computing kpt #: 187 total cpu time spent up to now is 53.5 secs Computing kpt #: 188 total cpu time spent up to now is 53.7 secs Computing kpt #: 189 total cpu time spent up to now is 54.0 secs Computing kpt #: 190 total cpu time spent up to now is 54.3 secs Computing kpt #: 191 total cpu time spent up to now is 54.6 secs Computing kpt #: 192 total cpu time spent up to now is 54.8 secs Computing kpt #: 193 total cpu time spent up to now is 55.1 secs Computing kpt #: 194 total cpu time spent up to now is 55.4 secs Computing kpt #: 195 total cpu time spent up to now is 55.7 secs Computing kpt #: 196 total cpu time spent up to now is 56.0 secs Computing kpt #: 197 total cpu time spent up to now is 56.2 secs Computing kpt #: 198 total cpu time spent up to now is 56.5 secs Computing kpt #: 199 total cpu time spent up to now is 56.8 secs Computing kpt #: 200 total cpu time spent up to now is 57.2 secs Computing kpt #: 201 total cpu time spent up to now is 57.5 secs Computing kpt #: 202 total cpu time spent up to now is 57.8 secs Computing kpt #: 203 total cpu time spent up to now is 58.2 secs Computing kpt #: 204 total cpu time spent up to now is 58.6 secs Computing kpt #: 205 total cpu time spent up to now is 58.9 secs Computing kpt #: 206 total cpu time spent up to now is 59.3 secs Computing kpt #: 207 total cpu time spent up to now is 59.6 secs Computing kpt #: 208 total cpu time spent up to now is 60.0 secs Computing kpt #: 209 total cpu time spent up to now is 60.3 secs Computing kpt #: 210 total cpu time spent up to now is 60.6 secs Computing kpt #: 211 total cpu time spent up to now is 60.9 secs Computing kpt #: 212 total cpu time spent up to now is 61.2 secs Computing kpt #: 213 total cpu time spent up to now is 61.6 secs Computing kpt #: 214 total cpu time spent up to now is 61.9 secs Computing kpt #: 215 total cpu time spent up to now is 62.3 secs Computing kpt #: 216 total cpu time spent up to now is 62.6 secs Computing kpt #: 217 total cpu time spent up to now is 62.9 secs Computing kpt #: 218 total cpu time spent up to now is 63.3 secs Computing kpt #: 219 total cpu time spent up to now is 63.6 secs Computing kpt #: 220 total cpu time spent up to now is 63.9 secs Computing kpt #: 221 total cpu time spent up to now is 64.3 secs Computing kpt #: 222 total cpu time spent up to now is 64.6 secs Computing kpt #: 223 total cpu time spent up to now is 65.0 secs Computing kpt #: 224 total cpu time spent up to now is 65.3 secs Computing kpt #: 225 total cpu time spent up to now is 65.6 secs Computing kpt #: 226 total cpu time spent up to now is 66.0 secs Computing kpt #: 227 total cpu time spent up to now is 66.3 secs Computing kpt #: 228 total cpu time spent up to now is 66.7 secs Computing kpt #: 229 total cpu time spent up to now is 67.0 secs Computing kpt #: 230 total cpu time spent up to now is 67.3 secs Computing kpt #: 231 total cpu time spent up to now is 67.6 secs Computing kpt #: 232 total cpu time spent up to now is 67.9 secs Computing kpt #: 233 total cpu time spent up to now is 68.3 secs Computing kpt #: 234 total cpu time spent up to now is 68.5 secs Computing kpt #: 235 total cpu time spent up to now is 68.8 secs Computing kpt #: 236 total cpu time spent up to now is 69.1 secs Computing kpt #: 237 total cpu time spent up to now is 69.5 secs Computing kpt #: 238 total cpu time spent up to now is 69.8 secs Computing kpt #: 239 total cpu time spent up to now is 70.1 secs Computing kpt #: 240 total cpu time spent up to now is 70.4 secs Computing kpt #: 241 total cpu time spent up to now is 70.7 secs Computing kpt #: 242 total cpu time spent up to now is 71.0 secs Computing kpt #: 243 total cpu time spent up to now is 71.3 secs Computing kpt #: 244 total cpu time spent up to now is 71.6 secs Computing kpt #: 245 total cpu time spent up to now is 71.9 secs Computing kpt #: 246 total cpu time spent up to now is 72.1 secs Computing kpt #: 247 total cpu time spent up to now is 72.4 secs Computing kpt #: 248 total cpu time spent up to now is 72.7 secs Computing kpt #: 249 total cpu time spent up to now is 72.9 secs Computing kpt #: 250 total cpu time spent up to now is 73.2 secs Computing kpt #: 251 total cpu time spent up to now is 73.5 secs Computing kpt #: 252 total cpu time spent up to now is 73.7 secs Computing kpt #: 253 total cpu time spent up to now is 74.0 secs Computing kpt #: 254 total cpu time spent up to now is 74.3 secs Computing kpt #: 255 total cpu time spent up to now is 74.5 secs Computing kpt #: 256 total cpu time spent up to now is 74.8 secs Computing kpt #: 257 total cpu time spent up to now is 75.1 secs Computing kpt #: 258 total cpu time spent up to now is 75.4 secs Computing kpt #: 259 total cpu time spent up to now is 75.7 secs Computing kpt #: 260 total cpu time spent up to now is 76.0 secs Computing kpt #: 261 total cpu time spent up to now is 76.3 secs Computing kpt #: 262 total cpu time spent up to now is 76.6 secs Computing kpt #: 263 total cpu time spent up to now is 76.9 secs Computing kpt #: 264 total cpu time spent up to now is 77.2 secs Computing kpt #: 265 total cpu time spent up to now is 77.5 secs Computing kpt #: 266 total cpu time spent up to now is 77.8 secs Computing kpt #: 267 total cpu time spent up to now is 78.1 secs Computing kpt #: 268 total cpu time spent up to now is 78.4 secs Computing kpt #: 269 total cpu time spent up to now is 78.7 secs Computing kpt #: 270 total cpu time spent up to now is 79.0 secs Computing kpt #: 271 total cpu time spent up to now is 79.2 secs Computing kpt #: 272 total cpu time spent up to now is 79.5 secs Computing kpt #: 273 total cpu time spent up to now is 79.7 secs Computing kpt #: 274 total cpu time spent up to now is 80.0 secs Computing kpt #: 275 total cpu time spent up to now is 80.2 secs Computing kpt #: 276 total cpu time spent up to now is 80.5 secs Computing kpt #: 277 total cpu time spent up to now is 80.7 secs Computing kpt #: 278 total cpu time spent up to now is 81.0 secs Computing kpt #: 279 total cpu time spent up to now is 81.3 secs Computing kpt #: 280 total cpu time spent up to now is 81.5 secs Computing kpt #: 281 total cpu time spent up to now is 81.8 secs Computing kpt #: 282 total cpu time spent up to now is 82.0 secs Computing kpt #: 283 total cpu time spent up to now is 82.3 secs Computing kpt #: 284 total cpu time spent up to now is 82.5 secs Computing kpt #: 285 total cpu time spent up to now is 82.8 secs Computing kpt #: 286 total cpu time spent up to now is 83.0 secs Computing kpt #: 287 total cpu time spent up to now is 83.3 secs Computing kpt #: 288 total cpu time spent up to now is 83.6 secs Computing kpt #: 289 total cpu time spent up to now is 83.9 secs Computing kpt #: 290 total cpu time spent up to now is 84.1 secs Computing kpt #: 291 total cpu time spent up to now is 84.4 secs Computing kpt #: 292 total cpu time spent up to now is 84.7 secs Computing kpt #: 293 total cpu time spent up to now is 84.9 secs Computing kpt #: 294 total cpu time spent up to now is 85.2 secs Computing kpt #: 295 total cpu time spent up to now is 85.4 secs Computing kpt #: 296 total cpu time spent up to now is 85.7 secs Computing kpt #: 297 total cpu time spent up to now is 85.9 secs Computing kpt #: 298 total cpu time spent up to now is 86.2 secs Computing kpt #: 299 total cpu time spent up to now is 86.4 secs Computing kpt #: 300 total cpu time spent up to now is 86.7 secs Computing kpt #: 301 total cpu time spent up to now is 86.9 secs Computing kpt #: 302 total cpu time spent up to now is 87.2 secs Computing kpt #: 303 total cpu time spent up to now is 87.4 secs Computing kpt #: 304 total cpu time spent up to now is 87.6 secs Computing kpt #: 305 total cpu time spent up to now is 87.9 secs Computing kpt #: 306 total cpu time spent up to now is 88.1 secs Computing kpt #: 307 total cpu time spent up to now is 88.4 secs Computing kpt #: 308 total cpu time spent up to now is 88.6 secs Computing kpt #: 309 total cpu time spent up to now is 88.9 secs Computing kpt #: 310 total cpu time spent up to now is 89.1 secs Computing kpt #: 311 total cpu time spent up to now is 89.4 secs Computing kpt #: 312 total cpu time spent up to now is 89.6 secs Computing kpt #: 313 total cpu time spent up to now is 89.9 secs Computing kpt #: 314 total cpu time spent up to now is 90.1 secs Computing kpt #: 315 total cpu time spent up to now is 90.4 secs Computing kpt #: 316 total cpu time spent up to now is 90.6 secs Computing kpt #: 317 total cpu time spent up to now is 90.9 secs Computing kpt #: 318 total cpu time spent up to now is 91.1 secs Computing kpt #: 319 total cpu time spent up to now is 91.4 secs Computing kpt #: 320 total cpu time spent up to now is 91.6 secs Computing kpt #: 321 total cpu time spent up to now is 91.9 secs Computing kpt #: 322 total cpu time spent up to now is 92.1 secs Computing kpt #: 323 total cpu time spent up to now is 92.4 secs Computing kpt #: 324 total cpu time spent up to now is 92.6 secs Computing kpt #: 325 total cpu time spent up to now is 92.9 secs Computing kpt #: 326 total cpu time spent up to now is 93.2 secs Computing kpt #: 327 total cpu time spent up to now is 93.4 secs Computing kpt #: 328 total cpu time spent up to now is 93.7 secs Computing kpt #: 329 total cpu time spent up to now is 93.9 secs Computing kpt #: 330 total cpu time spent up to now is 94.2 secs Computing kpt #: 331 total cpu time spent up to now is 94.5 secs Computing kpt #: 332 total cpu time spent up to now is 94.7 secs Computing kpt #: 333 total cpu time spent up to now is 95.0 secs Computing kpt #: 334 total cpu time spent up to now is 95.3 secs Computing kpt #: 335 total cpu time spent up to now is 95.5 secs Computing kpt #: 336 total cpu time spent up to now is 95.8 secs Computing kpt #: 337 total cpu time spent up to now is 96.0 secs Computing kpt #: 338 total cpu time spent up to now is 96.3 secs Computing kpt #: 339 total cpu time spent up to now is 96.5 secs Computing kpt #: 340 total cpu time spent up to now is 96.8 secs Computing kpt #: 341 total cpu time spent up to now is 97.0 secs Computing kpt #: 342 total cpu time spent up to now is 97.3 secs Computing kpt #: 343 total cpu time spent up to now is 97.5 secs Computing kpt #: 344 total cpu time spent up to now is 97.8 secs Computing kpt #: 345 total cpu time spent up to now is 98.0 secs Computing kpt #: 346 total cpu time spent up to now is 98.2 secs Computing kpt #: 347 total cpu time spent up to now is 98.5 secs Computing kpt #: 348 total cpu time spent up to now is 98.7 secs Computing kpt #: 349 total cpu time spent up to now is 99.0 secs Computing kpt #: 350 total cpu time spent up to now is 99.3 secs Computing kpt #: 351 total cpu time spent up to now is 99.5 secs Computing kpt #: 352 total cpu time spent up to now is 99.8 secs Computing kpt #: 353 total cpu time spent up to now is 100.0 secs Computing kpt #: 354 total cpu time spent up to now is 100.3 secs Computing kpt #: 355 total cpu time spent up to now is 100.5 secs Computing kpt #: 356 total cpu time spent up to now is 100.8 secs Computing kpt #: 357 total cpu time spent up to now is 101.0 secs Computing kpt #: 358 total cpu time spent up to now is 101.3 secs Computing kpt #: 359 total cpu time spent up to now is 101.6 secs Computing kpt #: 360 total cpu time spent up to now is 101.8 secs Computing kpt #: 361 total cpu time spent up to now is 102.1 secs Computing kpt #: 362 total cpu time spent up to now is 102.3 secs Computing kpt #: 363 total cpu time spent up to now is 102.6 secs Computing kpt #: 364 total cpu time spent up to now is 102.8 secs Computing kpt #: 365 total cpu time spent up to now is 103.0 secs Computing kpt #: 366 total cpu time spent up to now is 103.3 secs Computing kpt #: 367 total cpu time spent up to now is 103.5 secs Computing kpt #: 368 total cpu time spent up to now is 103.8 secs Computing kpt #: 369 total cpu time spent up to now is 104.0 secs Computing kpt #: 370 total cpu time spent up to now is 104.3 secs Computing kpt #: 371 total cpu time spent up to now is 104.5 secs Computing kpt #: 372 total cpu time spent up to now is 104.8 secs Computing kpt #: 373 total cpu time spent up to now is 105.0 secs Computing kpt #: 374 total cpu time spent up to now is 105.3 secs Computing kpt #: 375 total cpu time spent up to now is 105.6 secs Computing kpt #: 376 total cpu time spent up to now is 105.8 secs Computing kpt #: 377 total cpu time spent up to now is 106.1 secs Computing kpt #: 378 total cpu time spent up to now is 106.3 secs Computing kpt #: 379 total cpu time spent up to now is 106.6 secs Computing kpt #: 380 total cpu time spent up to now is 106.8 secs Computing kpt #: 381 total cpu time spent up to now is 107.1 secs Computing kpt #: 382 total cpu time spent up to now is 107.3 secs Computing kpt #: 383 total cpu time spent up to now is 107.6 secs Computing kpt #: 384 total cpu time spent up to now is 107.8 secs Computing kpt #: 385 total cpu time spent up to now is 108.1 secs Computing kpt #: 386 total cpu time spent up to now is 108.4 secs Computing kpt #: 387 total cpu time spent up to now is 108.6 secs Computing kpt #: 388 total cpu time spent up to now is 108.9 secs Computing kpt #: 389 total cpu time spent up to now is 109.1 secs Computing kpt #: 390 total cpu time spent up to now is 109.4 secs Computing kpt #: 391 total cpu time spent up to now is 109.7 secs Computing kpt #: 392 total cpu time spent up to now is 109.9 secs Computing kpt #: 393 total cpu time spent up to now is 110.2 secs Computing kpt #: 394 total cpu time spent up to now is 110.4 secs Computing kpt #: 395 total cpu time spent up to now is 110.7 secs Computing kpt #: 396 total cpu time spent up to now is 110.9 secs Computing kpt #: 397 total cpu time spent up to now is 111.2 secs Computing kpt #: 398 total cpu time spent up to now is 111.4 secs Computing kpt #: 399 total cpu time spent up to now is 111.7 secs Computing kpt #: 400 total cpu time spent up to now is 111.9 secs Computing kpt #: 401 total cpu time spent up to now is 112.2 secs Computing kpt #: 402 total cpu time spent up to now is 112.4 secs Computing kpt #: 403 total cpu time spent up to now is 112.7 secs Computing kpt #: 404 total cpu time spent up to now is 112.9 secs Computing kpt #: 405 total cpu time spent up to now is 113.1 secs Computing kpt #: 406 total cpu time spent up to now is 113.4 secs Computing kpt #: 407 total cpu time spent up to now is 113.7 secs Computing kpt #: 408 total cpu time spent up to now is 113.9 secs Computing kpt #: 409 total cpu time spent up to now is 114.1 secs Computing kpt #: 410 total cpu time spent up to now is 114.4 secs Computing kpt #: 411 total cpu time spent up to now is 114.6 secs Computing kpt #: 412 total cpu time spent up to now is 114.9 secs Computing kpt #: 413 total cpu time spent up to now is 115.1 secs Computing kpt #: 414 total cpu time spent up to now is 115.4 secs Computing kpt #: 415 total cpu time spent up to now is 115.6 secs Computing kpt #: 416 total cpu time spent up to now is 115.9 secs Computing kpt #: 417 total cpu time spent up to now is 116.1 secs Computing kpt #: 418 total cpu time spent up to now is 116.4 secs Computing kpt #: 419 total cpu time spent up to now is 116.7 secs Computing kpt #: 420 total cpu time spent up to now is 117.0 secs Computing kpt #: 421 total cpu time spent up to now is 117.3 secs Computing kpt #: 422 total cpu time spent up to now is 117.6 secs Computing kpt #: 423 total cpu time spent up to now is 117.9 secs Computing kpt #: 424 total cpu time spent up to now is 118.2 secs Computing kpt #: 425 total cpu time spent up to now is 118.5 secs Computing kpt #: 426 total cpu time spent up to now is 118.7 secs Computing kpt #: 427 total cpu time spent up to now is 119.0 secs Computing kpt #: 428 total cpu time spent up to now is 119.3 secs Computing kpt #: 429 total cpu time spent up to now is 119.6 secs Computing kpt #: 430 total cpu time spent up to now is 119.8 secs Computing kpt #: 431 total cpu time spent up to now is 120.1 secs Computing kpt #: 432 total cpu time spent up to now is 120.4 secs Computing kpt #: 433 total cpu time spent up to now is 120.7 secs Computing kpt #: 434 total cpu time spent up to now is 120.9 secs Computing kpt #: 435 total cpu time spent up to now is 121.2 secs Computing kpt #: 436 total cpu time spent up to now is 121.5 secs Computing kpt #: 437 total cpu time spent up to now is 121.8 secs Computing kpt #: 438 total cpu time spent up to now is 122.1 secs Computing kpt #: 439 total cpu time spent up to now is 122.3 secs Computing kpt #: 440 total cpu time spent up to now is 122.6 secs Computing kpt #: 441 total cpu time spent up to now is 122.9 secs Computing kpt #: 442 total cpu time spent up to now is 123.2 secs Computing kpt #: 443 total cpu time spent up to now is 123.5 secs Computing kpt #: 444 total cpu time spent up to now is 123.7 secs Computing kpt #: 445 total cpu time spent up to now is 124.0 secs Computing kpt #: 446 total cpu time spent up to now is 124.3 secs Computing kpt #: 447 total cpu time spent up to now is 124.6 secs Computing kpt #: 448 total cpu time spent up to now is 124.9 secs Computing kpt #: 449 total cpu time spent up to now is 125.1 secs Computing kpt #: 450 total cpu time spent up to now is 125.4 secs Computing kpt #: 451 total cpu time spent up to now is 125.7 secs Computing kpt #: 452 total cpu time spent up to now is 125.9 secs Computing kpt #: 453 total cpu time spent up to now is 126.2 secs Computing kpt #: 454 total cpu time spent up to now is 126.4 secs Computing kpt #: 455 total cpu time spent up to now is 126.7 secs Computing kpt #: 456 total cpu time spent up to now is 126.9 secs ethr = 2.78E-08, avg # of iterations = 18.5 total cpu time spent up to now is 126.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2399 PWs) bands (ev): -6.4705 -6.4705 -5.4253 -5.4253 3.9462 3.9462 4.9442 4.9442 5.9237 5.9237 5.9319 5.9319 5.9472 5.9472 6.1765 6.1765 6.4515 6.4515 6.6083 6.6083 6.7597 6.7597 6.9759 6.9759 7.0747 7.0747 7.2870 7.2870 7.5122 7.5122 7.9583 7.9583 8.0341 8.0341 8.6091 8.6091 10.4208 10.4208 12.5967 12.5967 17.9512 17.9512 18.8890 18.8890 k = 0.0053 0.0156-0.0000 ( 2403 PWs) bands (ev): -6.4699 -6.4699 -5.4250 -5.4250 3.9464 3.9464 4.9423 4.9423 5.9024 5.9024 5.9288 5.9288 5.9657 5.9657 6.1766 6.1766 6.4511 6.4511 6.6047 6.6047 6.7589 6.7589 6.9707 6.9707 7.0878 7.0878 7.2872 7.2872 7.5131 7.5131 7.9549 7.9549 8.0347 8.0347 8.6093 8.6093 10.4278 10.4278 12.5984 12.5984 17.9539 17.9539 18.8891 18.8891 k = 0.0105 0.0312-0.0000 ( 2403 PWs) bands (ev): -6.4678 -6.4678 -5.4239 -5.4239 3.9468 3.9468 4.9368 4.9368 5.8685 5.8685 5.9235 5.9235 5.9875 5.9875 6.1776 6.1776 6.4500 6.4500 6.5924 6.5924 6.7595 6.7595 6.9618 6.9618 7.1195 7.1195 7.2875 7.2875 7.5161 7.5161 7.9445 7.9445 8.0368 8.0368 8.6102 8.6102 10.4485 10.4485 12.6033 12.6033 17.9620 17.9620 18.8891 18.8891 k = 0.0158 0.0468-0.0000 ( 2401 PWs) bands (ev): -6.4645 -6.4645 -5.4222 -5.4222 3.9475 3.9475 4.9278 4.9278 5.8304 5.8304 5.9150 5.9150 6.0041 6.0041 6.1807 6.1807 6.4477 6.4477 6.5686 6.5686 6.7664 6.7664 6.9559 6.9559 7.1597 7.1597 7.2882 7.2882 7.5212 7.5212 7.9273 7.9273 8.0414 8.0414 8.6116 8.6116 10.4823 10.4823 12.6115 12.6115 17.9755 17.9755 18.8826 18.8826 k = 0.0210 0.0624-0.0000 ( 2399 PWs) bands (ev): -6.4598 -6.4598 -5.4197 -5.4197 3.9484 3.9484 4.9152 4.9152 5.7885 5.7885 5.9038 5.9038 6.0140 6.0140 6.1873 6.1873 6.4440 6.4440 6.5336 6.5336 6.7819 6.7819 6.9550 6.9550 7.2035 7.2035 7.2892 7.2892 7.5284 7.5284 7.9039 7.9039 8.0489 8.0489 8.6136 8.6136 10.5281 10.5281 12.6228 12.6228 17.9941 17.9941 18.8180 18.8180 k = 0.0263 0.0780-0.0000 ( 2407 PWs) bands (ev): -6.4537 -6.4537 -5.4166 -5.4166 3.9495 3.9495 4.8994 4.8994 5.7430 5.7430 5.8902 5.8902 6.0165 6.0165 6.1980 6.1980 6.4380 6.4380 6.4907 6.4907 6.8044 6.8044 6.9594 6.9594 7.2475 7.2475 7.2910 7.2910 7.5377 7.5377 7.8757 7.8757 8.0598 8.0598 8.6163 8.6163 10.5848 10.5848 12.6372 12.6372 18.0176 18.0176 18.7083 18.7083 k = 0.0315 0.0936-0.0000 ( 2411 PWs) bands (ev): -6.4464 -6.4464 -5.4128 -5.4128 3.9509 3.9509 4.8805 4.8805 5.6936 5.6936 5.8749 5.8749 6.0121 6.0121 6.2126 6.2126 6.4236 6.4236 6.4494 6.4494 6.8305 6.8305 6.9702 6.9702 7.2836 7.2836 7.3001 7.3001 7.5493 7.5493 7.8442 7.8442 8.0743 8.0743 8.6196 8.6196 10.6511 10.6511 12.6544 12.6544 18.0455 18.0455 18.5812 18.5812 k = 0.0368 0.1091-0.0000 ( 2411 PWs) bands (ev): -6.4377 -6.4377 -5.4084 -5.4084 3.9525 3.9525 4.8587 4.8587 5.6406 5.6406 5.8578 5.8578 6.0017 6.0017 6.2299 6.2299 6.3797 6.3797 6.4334 6.4334 6.8562 6.8562 6.9893 6.9893 7.2910 7.2910 7.3360 7.3360 7.5631 7.5631 7.8109 7.8109 8.0927 8.0927 8.6237 8.6237 10.7255 10.7255 12.6743 12.6743 18.0775 18.0775 18.4422 18.4422 k = 0.0420 0.1247-0.0000 ( 2411 PWs) bands (ev): -6.4278 -6.4278 -5.4033 -5.4033 3.9542 3.9542 4.8344 4.8344 5.5841 5.5841 5.8391 5.8391 5.9862 5.9862 6.2488 6.2488 6.3247 6.3247 6.4264 6.4264 6.8779 6.8779 7.0185 7.0185 7.2941 7.2941 7.3734 7.3734 7.5792 7.5792 7.7773 7.7773 8.1154 8.1154 8.6285 8.6285 10.8068 10.8068 12.6968 12.6968 18.1130 18.1130 18.2946 18.2946 k = 0.0473 0.1403-0.0000 ( 2413 PWs) bands (ev): -6.4166 -6.4166 -5.3977 -5.3977 3.9561 3.9561 4.8078 4.8078 5.5242 5.5242 5.8178 5.8178 5.9669 5.9669 6.2660 6.2660 6.2695 6.2695 6.4216 6.4216 6.8945 6.8945 7.0576 7.0576 7.2976 7.2976 7.4074 7.4074 7.5973 7.5973 7.7447 7.7447 8.1426 8.1426 8.6342 8.6342 10.8939 10.8939 12.7215 12.7215 18.1398 18.1398 18.1522 18.1522 k = 0.0525 0.1559-0.0000 ( 2417 PWs) bands (ev): -6.4042 -6.4042 -5.3915 -5.3915 3.9580 3.9580 4.7792 4.7792 5.4612 5.4612 5.7925 5.7925 5.9453 5.9453 6.2080 6.2080 6.2881 6.2881 6.4191 6.4191 6.9071 6.9071 7.1040 7.1040 7.3023 7.3023 7.4374 7.4374 7.6169 7.6169 7.7141 7.7141 8.1743 8.1743 8.6409 8.6409 10.9857 10.9857 12.7483 12.7483 17.9821 17.9821 18.1916 18.1916 k = 0.0578 0.1715-0.0000 ( 2421 PWs) bands (ev): -6.3905 -6.3905 -5.3847 -5.3847 3.9599 3.9599 4.7490 4.7490 5.3956 5.3956 5.7614 5.7614 5.9233 5.9233 6.1488 6.1488 6.3072 6.3072 6.4193 6.4193 6.9170 6.9170 7.1543 7.1543 7.3094 7.3094 7.4635 7.4635 7.6362 7.6362 7.6876 7.6876 8.2106 8.2106 8.6486 8.6486 11.0812 11.0812 12.7770 12.7770 17.8203 17.8203 18.2327 18.2327 k = 0.0630 0.1871-0.0000 ( 2421 PWs) bands (ev): -6.3757 -6.3757 -5.3775 -5.3775 3.9618 3.9618 4.7174 4.7174 5.3276 5.3276 5.7225 5.7225 5.9026 5.9026 6.0902 6.0902 6.3251 6.3251 6.4227 6.4227 6.9254 6.9254 7.2044 7.2044 7.3217 7.3217 7.4863 7.4863 7.6445 7.6445 7.6761 7.6761 8.2511 8.2511 8.6575 8.6575 11.1797 11.1797 12.8074 12.8074 17.6561 17.6561 18.2737 18.2737 k = 0.0683 0.2027-0.0000 ( 2425 PWs) bands (ev): -6.3598 -6.3598 -5.3698 -5.3698 3.9636 3.9636 4.6847 4.6847 5.2577 5.2577 5.6749 5.6749 5.8839 5.8839 6.0333 6.0333 6.3416 6.3416 6.4294 6.4294 6.9329 6.9329 7.2462 7.2462 7.3456 7.3456 7.5062 7.5062 7.6292 7.6292 7.6921 7.6921 8.2955 8.2955 8.6677 8.6677 11.2804 11.2804 12.8393 12.8393 17.4902 17.4902 18.3132 18.3132 k = 0.0735 0.2183-0.0000 ( 2429 PWs) bands (ev): -6.3427 -6.3427 -5.3617 -5.3617 3.9652 3.9652 4.6512 4.6512 5.1861 5.1861 5.6187 5.6187 5.8657 5.8657 5.9804 5.9804 6.3565 6.3565 6.4388 6.4388 6.9399 6.9399 7.2728 7.2728 7.3873 7.3873 7.5241 7.5241 7.6110 7.6110 7.7150 7.7150 8.3429 8.3429 8.6794 8.6794 11.3829 11.3829 12.8724 12.8724 17.3233 17.3233 18.3498 18.3498 k = 0.0788 0.2339-0.0000 ( 2421 PWs) bands (ev): -6.3246 -6.3246 -5.3532 -5.3532 3.9665 3.9665 4.6172 4.6172 5.1133 5.1133 5.5552 5.5552 5.8437 5.8437 5.9358 5.9358 6.3701 6.3701 6.4507 6.4507 6.9466 6.9466 7.2881 7.2881 7.4409 7.4409 7.5410 7.5410 7.5955 7.5955 7.7402 7.7402 8.3926 8.3926 8.6930 8.6930 11.4866 11.4866 12.9068 12.9068 17.1558 17.1558 18.3821 18.3821 k = 0.0840 0.2495-0.0000 ( 2419 PWs) bands (ev): -6.3055 -6.3055 -5.3443 -5.3443 3.9673 3.9673 4.5828 4.5828 5.0396 5.0396 5.4855 5.4855 5.8111 5.8111 5.9056 5.9056 6.3826 6.3826 6.4638 6.4638 6.9532 6.9532 7.2990 7.2990 7.4950 7.4950 7.5587 7.5587 7.5856 7.5856 7.7673 7.7673 8.4436 8.4436 8.7089 8.7089 11.5910 11.5910 12.9421 12.9421 16.9883 16.9883 18.4087 18.4087 k = 0.0893 0.2651-0.0000 ( 2427 PWs) bands (ev): -6.2854 -6.2854 -5.3352 -5.3352 3.9675 3.9675 4.5484 4.5484 4.9652 4.9652 5.4110 5.4110 5.7679 5.7679 5.8896 5.8896 6.3941 6.3941 6.4773 6.4773 6.9600 6.9600 7.3085 7.3085 7.5329 7.5329 7.5662 7.5662 7.6049 7.6049 7.7972 7.7972 8.4946 8.4946 8.7277 8.7277 11.6959 11.6959 12.9783 12.9783 16.8210 16.8210 18.4282 18.4282 k = 0.0945 0.2807-0.0000 ( 2423 PWs) bands (ev): -6.2644 -6.2644 -5.3259 -5.3259 3.9670 3.9670 4.5141 4.5141 4.8906 4.8906 5.3332 5.3332 5.7198 5.7198 5.8818 5.8818 6.4050 6.4050 6.4906 6.4906 6.9670 6.9670 7.3182 7.3182 7.5467 7.5467 7.5656 7.5656 7.6569 7.6569 7.8313 7.8313 8.5442 8.5442 8.7506 8.7506 11.8010 11.8010 13.0153 13.0153 16.6542 16.6542 18.4394 18.4394 k = 0.0998 0.2963-0.0000 ( 2415 PWs) bands (ev): -6.2425 -6.2425 -5.3165 -5.3165 3.9656 3.9656 4.4800 4.4800 4.8161 4.8161 5.2533 5.2533 5.6703 5.6703 5.8782 5.8782 6.4150 6.4150 6.5032 6.5032 6.9745 6.9745 7.3285 7.3285 7.5460 7.5460 7.5720 7.5720 7.7140 7.7140 7.8717 7.8717 8.5906 8.5906 8.7788 8.7788 11.9060 11.9060 13.0530 13.0530 16.4884 16.4884 18.4413 18.4413 k = 0.1050 0.3119-0.0000 ( 2413 PWs) bands (ev): -6.2198 -6.2198 -5.3069 -5.3069 3.9628 3.9628 4.4463 4.4463 4.7420 4.7420 5.1724 5.1724 5.6209 5.6209 5.8772 5.8772 6.4237 6.4237 6.5149 6.5149 6.9824 6.9824 7.3399 7.3399 7.5427 7.5427 7.5796 7.5796 7.7671 7.7671 7.9206 7.9206 8.6320 8.6320 8.8134 8.8134 12.0108 12.0108 13.0913 13.0913 16.3238 16.3238 18.4327 18.4327 k = 0.1103 0.3274-0.0000 ( 2411 PWs) bands (ev): -6.1963 -6.1963 -5.2973 -5.2973 3.9585 3.9585 4.4132 4.4132 4.6685 4.6685 5.0917 5.0917 5.5721 5.5721 5.8778 5.8778 6.4308 6.4308 6.5257 6.5257 6.9906 6.9906 7.3527 7.3527 7.5402 7.5402 7.5868 7.5868 7.8139 7.8139 7.9791 7.9791 8.6678 8.6678 8.8549 8.8549 12.1151 12.1151 13.1303 13.1303 16.1606 16.1606 18.4111 18.4111 k = 0.1155 0.3430-0.0000 ( 2411 PWs) bands (ev): -6.1721 -6.1721 -5.2877 -5.2877 3.9521 3.9521 4.3807 4.3807 4.5960 4.5960 5.0123 5.0123 5.5242 5.5242 5.8798 5.8798 6.4354 6.4354 6.5360 6.5360 6.9992 6.9992 7.3670 7.3670 7.5387 7.5387 7.5935 7.5935 7.8550 7.8550 8.0455 8.0455 8.6987 8.6987 8.9023 8.9023 12.2189 12.2189 13.1698 13.1698 15.9992 15.9992 18.3672 18.3672 k = 0.1208 0.3586-0.0000 ( 2411 PWs) bands (ev): -6.1474 -6.1474 -5.2782 -5.2782 3.9432 3.9432 4.3489 4.3489 4.5248 4.5248 4.9352 4.9352 5.4774 5.4774 5.8828 5.8828 6.4371 6.4371 6.5462 6.5462 7.0079 7.0079 7.3828 7.3828 7.5381 7.5381 7.6002 7.6002 7.8924 7.8924 8.1175 8.1175 8.7258 8.7258 8.9539 8.9539 12.3220 12.3220 13.2100 13.2100 15.8399 15.8399 18.2796 18.2796 k = 0.1261 0.3742-0.0000 ( 2417 PWs) bands (ev): -6.1220 -6.1220 -5.2689 -5.2689 3.9313 3.9313 4.3178 4.3178 4.4551 4.4551 4.8616 4.8616 5.4317 5.4317 5.8865 5.8865 6.4352 6.4352 6.5564 6.5564 7.0165 7.0165 7.4003 7.4003 7.5381 7.5381 7.6072 7.6072 7.9278 7.9278 8.1929 8.1929 8.7506 8.7506 9.0081 9.0081 12.4244 12.4244 13.2507 13.2507 15.6828 15.6828 18.1530 18.1530 k = 0.1313 0.3898-0.0000 ( 2413 PWs) bands (ev): -6.0962 -6.0962 -5.2598 -5.2598 3.9158 3.9158 4.2873 4.2873 4.3875 4.3875 4.7925 4.7925 5.3873 5.3873 5.8910 5.8910 6.4298 6.4298 6.5672 6.5672 7.0250 7.0250 7.4195 7.4195 7.5385 7.5385 7.6149 7.6149 7.9623 7.9623 8.2705 8.2705 8.7741 8.7741 9.0636 9.0636 12.5259 12.5259 13.2921 13.2921 15.5284 15.5284 18.0127 18.0127 k = 0.1366 0.4054-0.0000 ( 2415 PWs) bands (ev): -6.0700 -6.0700 -5.2511 -5.2511 3.8959 3.8959 4.2568 4.2568 4.3229 4.3229 4.7290 4.7290 5.3441 5.3441 5.8961 5.8961 6.4206 6.4206 6.5783 6.5783 7.0329 7.0329 7.4401 7.4401 7.5390 7.5390 7.6236 7.6236 7.9963 7.9963 8.3494 8.3494 8.7969 8.7969 9.1194 9.1194 12.6265 12.6265 13.3342 13.3342 15.3770 15.3770 17.8689 17.8689 k = 0.1418 0.4210-0.0000 ( 2415 PWs) bands (ev): -6.0435 -6.0435 -5.2427 -5.2427 3.8711 3.8711 4.2239 4.2239 4.2639 4.2639 4.6721 4.6721 5.3022 5.3022 5.9016 5.9016 6.4079 6.4079 6.5897 6.5897 7.0402 7.0402 7.4620 7.4620 7.5393 7.5393 7.6336 7.6336 8.0302 8.0302 8.4291 8.4291 8.8194 8.8194 9.1748 9.1748 12.7259 12.7259 13.3771 13.3771 15.2290 15.2290 17.7248 17.7248 k = 0.1471 0.4366-0.0000 ( 2409 PWs) bands (ev): -6.0167 -6.0167 -5.2347 -5.2347 3.8411 3.8411 4.1801 4.1801 4.2194 4.2194 4.6224 4.6224 5.2616 5.2616 5.9075 5.9075 6.3920 6.3920 6.6013 6.6013 7.0469 7.0469 7.4849 7.4849 7.5393 7.5393 7.6449 7.6449 8.0641 8.0641 8.5091 8.5091 8.8419 8.8419 9.2295 9.2295 12.8240 12.8240 13.4207 13.4207 15.0850 15.0850 17.5815 17.5815 k = 0.1523 0.4522-0.0000 ( 2405 PWs) bands (ev): -5.9897 -5.9897 -5.2273 -5.2273 3.8058 3.8058 4.1260 4.1260 4.1889 4.1889 4.5803 4.5803 5.2223 5.2223 5.9137 5.9137 6.3731 6.3731 6.6128 6.6128 7.0527 7.0527 7.5084 7.5084 7.5388 7.5388 7.6577 7.6577 8.0981 8.0981 8.5890 8.5890 8.8646 8.8646 9.2829 9.2829 12.9205 12.9205 13.4653 13.4653 14.9455 14.9455 17.4399 17.4399 k = 0.1576 0.4678-0.0000 ( 2409 PWs) bands (ev): -5.9627 -5.9627 -5.2205 -5.2205 3.7655 3.7655 4.0710 4.0710 4.1634 4.1634 4.5458 4.5458 5.1844 5.1844 5.9202 5.9202 6.3514 6.3514 6.6241 6.6241 7.0576 7.0576 7.5311 7.5311 7.5390 7.5390 7.6719 7.6719 8.1319 8.1319 8.6686 8.6686 8.8875 8.8875 9.3347 9.3347 13.0148 13.0148 13.5108 13.5108 14.8113 14.8113 17.3004 17.3004 k = 0.1628 0.4834-0.0000 ( 2409 PWs) bands (ev): -5.9357 -5.9357 -5.2143 -5.2143 3.7207 3.7207 4.0179 4.0179 4.1404 4.1404 4.5186 4.5186 5.1479 5.1479 5.9269 5.9269 6.3274 6.3274 6.6351 6.6351 7.0619 7.0619 7.5352 7.5352 7.5570 7.5570 7.6874 7.6874 8.1657 8.1657 8.7474 8.7474 8.9108 8.9108 9.3847 9.3847 13.1062 13.1062 13.5573 13.5573 14.6837 14.6837 17.1634 17.1634 k = 0.1681 0.4990-0.0000 ( 2413 PWs) bands (ev): -5.9088 -5.9088 -5.2088 -5.2088 3.6725 3.6725 3.9675 3.9675 4.1192 4.1192 4.4978 4.4978 5.1128 5.1128 5.9337 5.9337 6.3010 6.3010 6.6457 6.6457 7.0653 7.0653 7.5333 7.5333 7.5802 7.5802 7.7041 7.7041 8.1994 8.1994 8.8249 8.8249 8.9347 8.9347 9.4325 9.4325 13.1932 13.1932 13.6050 13.6050 14.5642 14.5642 17.0292 17.0292 k = 0.1733 0.5146-0.0000 ( 2417 PWs) bands (ev): -5.8821 -5.8821 -5.2042 -5.2042 3.6218 3.6218 3.9201 3.9201 4.0997 4.0997 4.4829 4.4829 5.0790 5.0790 5.9406 5.9406 6.2727 6.2727 6.6558 6.6558 7.0681 7.0681 7.5307 7.5307 7.6028 7.6028 7.7218 7.7218 8.2328 8.2328 8.8997 8.8997 8.9606 8.9606 9.4780 9.4780 13.2739 13.2739 13.6539 13.6539 14.4553 14.4553 16.8982 16.8982 k = 0.1786 0.5302-0.0000 ( 2419 PWs) bands (ev): -5.8557 -5.8557 -5.2004 -5.2004 3.5696 3.5696 3.8760 3.8760 4.0819 4.0819 4.4728 4.4728 5.0467 5.0467 5.9476 5.9476 6.2425 6.2425 6.6654 6.6654 7.0704 7.0704 7.5276 7.5276 7.6244 7.6244 7.7400 7.7400 8.2658 8.2658 8.9625 8.9625 8.9971 8.9971 9.5209 9.5209 13.3445 13.3445 13.7042 13.7042 14.3608 14.3608 16.7706 16.7706 k = 0.1838 0.5457-0.0000 ( 2415 PWs) bands (ev): -5.8296 -5.8296 -5.1975 -5.1975 3.5170 3.5170 3.8354 3.8354 4.0657 4.0657 4.4670 4.4670 5.0160 5.0160 5.9547 5.9547 6.2106 6.2106 6.6745 6.6745 7.0721 7.0721 7.5240 7.5240 7.6447 7.6447 7.7586 7.7586 8.2983 8.2983 8.9970 8.9970 9.0606 9.0606 9.5611 9.5611 13.3998 13.3998 13.7561 13.7561 14.2863 14.2863 16.6469 16.6469 k = 0.1891 0.5613-0.0000 ( 2423 PWs) bands (ev): -5.8041 -5.8041 -5.1956 -5.1956 3.4647 3.4647 3.7984 3.7984 4.0511 4.0511 4.4646 4.4646 4.9866 4.9866 5.9617 5.9617 6.1772 6.1772 6.6829 6.6829 7.0734 7.0734 7.5199 7.5199 7.6636 7.6636 7.7771 7.7771 8.3301 8.3301 9.0229 9.0229 9.1307 9.1307 9.5984 9.5984 13.4327 13.4327 13.8100 13.8100 14.2388 14.2388 16.5272 16.5272 k = 0.1943 0.5769-0.0000 ( 2423 PWs) bands (ev): -5.7791 -5.7791 -5.1948 -5.1948 3.4134 3.4134 3.7652 3.7652 4.0383 4.0383 4.4651 4.4651 4.9587 4.9587 5.9688 5.9688 6.1424 6.1424 6.6908 6.6908 7.0744 7.0744 7.5155 7.5155 7.6808 7.6808 7.7951 7.7951 8.3612 8.3612 9.0474 9.0474 9.2000 9.2000 9.6326 9.6326 13.4376 13.4376 13.8658 13.8658 14.2242 14.2242 16.4120 16.4120 k = 0.1996 0.5925-0.0000 ( 2427 PWs) bands (ev): -5.7548 -5.7548 -5.1950 -5.1950 3.3639 3.3639 3.7359 3.7359 4.0271 4.0271 4.4682 4.4682 4.9322 4.9322 5.9757 5.9757 6.1064 6.1064 6.6981 6.6981 7.0750 7.0750 7.5106 7.5106 7.6964 7.6964 7.8121 7.8121 8.3913 8.3913 9.0714 9.0714 9.2673 9.2673 9.6636 9.6636 13.4144 13.4144 13.9232 13.9232 14.2435 14.2435 16.3015 16.3015 k = 0.2048 0.6081-0.0000 ( 2429 PWs) bands (ev): -5.7312 -5.7312 -5.1963 -5.1963 3.3166 3.3166 3.7106 3.7106 4.0176 4.0176 4.4734 4.4734 4.9073 4.9073 5.9824 5.9824 6.0693 6.0693 6.7048 6.7048 7.0753 7.0753 7.5054 7.5054 7.7102 7.7102 7.8278 7.8278 8.4203 8.4203 9.0953 9.0953 9.3319 9.3319 9.6913 9.6913 13.3692 13.3692 13.9817 13.9817 14.2914 14.2914 16.1962 16.1962 k = 0.2101 0.6237-0.0000 ( 2429 PWs) bands (ev): -5.7085 -5.7085 -5.1987 -5.1987 3.2719 3.2719 3.6894 3.6894 4.0098 4.0098 4.4804 4.4804 4.8838 4.8838 5.9888 5.9888 6.0314 6.0314 6.7110 6.7110 7.0755 7.0755 7.4999 7.4999 7.7221 7.7221 7.8418 7.8418 8.4481 8.4481 9.1189 9.1189 9.3933 9.3933 9.7156 9.7156 13.3102 13.3102 14.0408 14.0408 14.3602 14.3602 16.0965 16.0965 k = 0.2153 0.6393-0.0000 ( 2429 PWs) bands (ev): -5.6867 -5.6867 -5.2024 -5.2024 3.2303 3.2303 3.6723 3.6723 4.0037 4.0037 4.4890 4.4890 4.8618 4.8618 5.9875 5.9875 6.0002 6.0002 6.7166 6.7166 7.0754 7.0754 7.4939 7.4939 7.7319 7.7319 7.8539 7.8539 8.4745 8.4745 9.1422 9.1422 9.4512 9.4512 9.7364 9.7364 13.2442 13.2442 14.1004 14.1004 14.4434 14.4434 16.0026 16.0026 k = 0.2206 0.6549-0.0000 ( 2431 PWs) bands (ev): -5.6659 -5.6659 -5.2072 -5.2072 3.1920 3.1920 3.6593 3.6593 3.9993 3.9993 4.4991 4.4991 4.8414 4.8414 5.9508 5.9508 6.0036 6.0036 6.7218 6.7218 7.0751 7.0751 7.4876 7.4876 7.7396 7.7396 7.8637 7.8637 8.4994 8.4994 9.1653 9.1653 9.5052 9.5052 9.7536 9.7536 13.1759 13.1759 14.1604 14.1604 14.5365 14.5365 15.9150 15.9150 k = 0.2258 0.6705-0.0000 ( 2423 PWs) bands (ev): -5.6462 -5.6462 -5.2133 -5.2133 3.1572 3.1572 3.6507 3.6507 3.9967 3.9967 4.5103 4.5103 4.8224 4.8224 5.9105 5.9105 6.0096 6.0096 6.7265 6.7265 7.0748 7.0748 7.4809 7.4809 7.7451 7.7451 7.8711 7.8711 8.5226 8.5226 9.1880 9.1880 9.5549 9.5549 9.7673 9.7673 13.1084 13.1084 14.2207 14.2207 14.6366 14.6366 15.8341 15.8341 k = 0.2311 0.6861-0.0000 ( 2427 PWs) bands (ev): -5.6276 -5.6276 -5.2205 -5.2205 3.1262 3.1262 3.6463 3.6463 3.9958 3.9958 4.5227 4.5227 4.8049 4.8049 5.8694 5.8694 6.0156 6.0156 6.7307 6.7307 7.0742 7.0742 7.4740 7.4740 7.7481 7.7481 7.8757 7.8757 8.5441 8.5441 9.2103 9.2103 9.5998 9.5998 9.7773 9.7773 13.0435 13.0435 14.2811 14.2811 14.7421 14.7421 15.7602 15.7602 k = 0.2363 0.7017-0.0000 ( 2427 PWs) bands (ev): -5.6103 -5.6103 -5.2290 -5.2290 3.0992 3.0992 3.6461 3.6461 3.9968 3.9968 4.5361 4.5361 4.7890 4.7890 5.8277 5.8277 6.0215 6.0215 6.7345 6.7345 7.0736 7.0736 7.4667 7.4667 7.7487 7.7487 7.8776 7.8776 8.5636 8.5636 9.2321 9.2321 9.6396 9.6396 9.7839 9.7839 12.9825 12.9825 14.3412 14.3412 14.8516 14.8516 15.6938 15.6938 k = 0.2416 0.7173-0.0000 ( 2423 PWs) bands (ev): -5.5943 -5.5943 -5.2387 -5.2387 3.0762 3.0762 3.6502 3.6502 3.9995 3.9995 4.5504 4.5504 4.7745 4.7745 5.7858 5.7858 6.0272 6.0272 6.7379 6.7379 7.0729 7.0729 7.4591 7.4591 7.7466 7.7466 7.8767 7.8767 8.5813 8.5813 9.2533 9.2533 9.6739 9.6739 9.7869 9.7869 12.9263 12.9263 14.4007 14.4007 14.9645 14.9645 15.6352 15.6352 k = 0.2469 0.7329-0.0000 ( 2419 PWs) bands (ev): -5.5796 -5.5796 -5.2497 -5.2497 3.0574 3.0574 3.6585 3.6585 4.0040 4.0040 4.5655 4.5655 4.7616 4.7616 5.7435 5.7435 6.0327 6.0327 6.7409 6.7409 7.0720 7.0720 7.4511 7.4511 7.7418 7.7418 7.8729 7.8729 8.5969 8.5969 9.2740 9.2740 9.7023 9.7023 9.7867 9.7867 12.8756 12.8756 14.4591 14.4591 15.0801 15.0801 15.5848 15.5848 k = 0.2521 0.7485-0.0000 ( 2417 PWs) bands (ev): -5.5662 -5.5662 -5.2617 -5.2617 3.0430 3.0430 3.6710 3.6710 4.0103 4.0103 4.5813 4.5813 4.7504 4.7504 5.7012 5.7012 6.0379 6.0379 6.7436 6.7436 7.0711 7.0711 7.4429 7.4429 7.7342 7.7342 7.8662 7.8662 8.6104 8.6104 9.2940 9.2940 9.7241 9.7241 9.7835 9.7835 12.8306 12.8306 14.5160 14.5160 15.1980 15.1980 15.5428 15.5428 k = 0.2574 0.7640-0.0000 ( 2421 PWs) bands (ev): -5.5543 -5.5543 -5.2750 -5.2750 3.0328 3.0328 3.6876 3.6876 4.0184 4.0184 4.5975 4.5975 4.7407 4.7407 5.6589 5.6589 6.0429 6.0429 6.7458 6.7458 7.0699 7.0699 7.4343 7.4343 7.7239 7.7239 7.8564 7.8564 8.6218 8.6218 9.3132 9.3132 9.7384 9.7384 9.7781 9.7781 12.7917 12.7917 14.5709 14.5709 15.3176 15.3176 15.5099 15.5099 k = 0.2626 0.7796-0.0000 ( 2423 PWs) bands (ev): -5.5438 -5.5438 -5.2893 -5.2893 3.0271 3.0271 3.7083 3.7083 4.0283 4.0283 4.6142 4.6142 4.7329 4.7329 5.6168 5.6168 6.0477 6.0477 6.7476 6.7476 7.0687 7.0687 7.4254 7.4254 7.7108 7.7108 7.8438 7.8438 8.6311 8.6311 9.3315 9.3315 9.7432 9.7432 9.7725 9.7725 12.7589 12.7589 14.6234 14.6234 15.4353 15.4353 15.4891 15.4891 k = 0.2679 0.7952-0.0000 ( 2423 PWs) bands (ev): -5.5348 -5.5348 -5.3047 -5.3047 3.0258 3.0258 3.7328 3.7328 4.0401 4.0401 4.6309 4.6309 4.7272 4.7272 5.5750 5.5750 6.0522 6.0522 6.7490 6.7490 7.0672 7.0672 7.4163 7.4163 7.6951 7.6951 7.8283 7.8283 8.6384 8.6384 9.3489 9.3489 9.7371 9.7371 9.7681 9.7681 12.7323 12.7323 14.6732 14.6732 15.4647 15.4647 15.5669 15.5669 k = 0.2731 0.8108-0.0000 ( 2419 PWs) bands (ev): -5.5272 -5.5272 -5.3212 -5.3212 3.0288 3.0288 3.7612 3.7612 4.0536 4.0536 4.6471 4.6471 4.7240 4.7240 5.5336 5.5336 6.0564 6.0564 6.7501 6.7501 7.0656 7.0656 7.4068 7.4068 7.6768 7.6768 7.8102 7.8102 8.6437 8.6437 9.3653 9.3653 9.7232 9.7232 9.7618 9.7618 12.7119 12.7119 14.7199 14.7199 15.4588 15.4588 15.6897 15.6897 k = 0.2784 0.8264-0.0000 ( 2417 PWs) bands (ev): -5.5211 -5.5211 -5.3386 -5.3386 3.0363 3.0363 3.7932 3.7932 4.0690 4.0690 4.6616 4.6616 4.7245 4.7245 5.4928 5.4928 6.0605 6.0605 6.7508 6.7508 7.0637 7.0637 7.3971 7.3971 7.6560 7.6560 7.7893 7.7893 8.6470 8.6470 9.3805 9.3805 9.7046 9.7046 9.7508 9.7508 12.6974 12.6974 14.7632 14.7632 15.4602 15.4602 15.8141 15.8141 k = 0.2784 0.8264-0.0000 ( 2417 PWs) bands (ev): -5.5211 -5.5211 -5.3386 -5.3386 3.0363 3.0363 3.7932 3.7932 4.0690 4.0690 4.6616 4.6616 4.7245 4.7245 5.4928 5.4928 6.0605 6.0605 6.7508 6.7508 7.0637 7.0637 7.3971 7.3971 7.6560 7.6560 7.7893 7.7893 8.6470 8.6470 9.3805 9.3805 9.7046 9.7046 9.7508 9.7508 12.6974 12.6974 14.7632 14.7632 15.4602 15.4602 15.8141 15.8141 k = 0.2620 0.8264-0.0000 ( 2421 PWs) bands (ev): -5.5234 -5.5234 -5.3325 -5.3325 3.0347 3.0347 3.7823 3.7823 4.0638 4.0638 4.6534 4.6534 4.7227 4.7227 5.5103 5.5103 6.0599 6.0599 6.7515 6.7515 7.0653 7.0653 7.4003 7.4003 7.6618 7.6618 7.7972 7.7972 8.6460 8.6460 9.3721 9.3721 9.7106 9.7106 9.7549 9.7549 12.7033 12.7033 14.7493 14.7493 15.4601 15.4601 15.7727 15.7727 k = 0.2456 0.8264-0.0000 ( 2423 PWs) bands (ev): -5.5264 -5.5264 -5.3259 -5.3259 3.0360 3.0360 3.7709 3.7709 4.0587 4.0587 4.6364 4.6364 4.7205 4.7205 5.5358 5.5358 6.0607 6.0607 6.7539 6.7539 7.0688 7.0688 7.4036 7.4036 7.6653 7.6653 7.8069 7.8069 8.6445 8.6445 9.3562 9.3562 9.7158 9.7158 9.7582 9.7582 12.7135 12.7135 14.7345 14.7345 15.4629 15.4629 15.7281 15.7281 k = 0.2292 0.8264-0.0000 ( 2417 PWs) bands (ev): -5.5301 -5.5301 -5.3190 -5.3190 3.0401 3.0401 3.7590 3.7590 4.0536 4.0536 4.6112 4.6112 4.7192 4.7192 5.5673 5.5673 6.0630 6.0630 6.7582 6.7582 7.0742 7.0742 7.4071 7.4071 7.6666 7.6666 7.8182 7.8182 8.6424 8.6424 9.3333 9.3333 9.7201 9.7201 9.7609 9.7609 12.7278 12.7278 14.7196 14.7196 15.4680 15.4680 15.6815 15.6815 k = 0.2129 0.8264-0.0000 ( 2412 PWs) bands (ev): -5.5341 -5.5341 -5.3120 -5.3120 3.0470 3.0470 3.7465 3.7465 4.0486 4.0486 4.5795 4.5795 4.7191 4.7191 5.6026 5.6026 6.0670 6.0670 6.7645 6.7645 7.0811 7.0811 7.4105 7.4105 7.6660 7.6660 7.8309 7.8309 8.6398 8.6398 9.3038 9.3038 9.7237 9.7237 9.7631 9.7631 12.7458 12.7458 14.7053 14.7053 15.4739 15.4739 15.6344 15.6344 k = 0.1965 0.8264-0.0000 ( 2409 PWs) bands (ev): -5.5383 -5.5383 -5.3050 -5.3050 3.0565 3.0565 3.7333 3.7333 4.0438 4.0438 4.5435 4.5435 4.7197 4.7197 5.6393 5.6393 6.0727 6.0727 6.7732 6.7732 7.0892 7.0892 7.4140 7.4140 7.6637 7.6637 7.8449 7.8449 8.6366 8.6366 9.2684 9.2684 9.7265 9.7265 9.7649 9.7649 12.7668 12.7668 14.6926 14.6926 15.4766 15.4766 15.5911 15.5911 k = 0.1801 0.8264-0.0000 ( 2410 PWs) bands (ev): -5.5426 -5.5426 -5.2983 -5.2983 3.0685 3.0685 3.7193 3.7193 4.0392 4.0392 4.5052 4.5052 4.7208 4.7208 5.6755 5.6755 6.0800 6.0800 6.7844 6.7844 7.0982 7.0982 7.4174 7.4174 7.6598 7.6598 7.8599 7.8599 8.6328 8.6328 9.2280 9.2280 9.7285 9.7285 9.7664 9.7664 12.7904 12.7904 14.6819 14.6819 15.4652 15.4652 15.5626 15.5626 k = 0.1637 0.8264-0.0000 ( 2416 PWs) bands (ev): -5.5468 -5.5468 -5.2919 -5.2919 3.0827 3.0827 3.7045 3.7045 4.0349 4.0349 4.4661 4.4661 4.7220 4.7220 5.7096 5.7096 6.0891 6.0891 6.7985 6.7985 7.1076 7.1076 7.4209 7.4209 7.6547 7.6547 7.8757 7.8757 8.6284 8.6284 9.1835 9.1835 9.7298 9.7298 9.7677 9.7677 12.8155 12.8155 14.6741 14.6741 15.4301 15.4301 15.5583 15.5583 k = 0.1474 0.8264-0.0000 ( 2416 PWs) bands (ev): -5.5507 -5.5507 -5.2859 -5.2859 3.0990 3.0990 3.6887 3.6887 4.0309 4.0309 4.4278 4.4278 4.7233 4.7233 5.7404 5.7404 6.0996 6.0996 6.8155 6.8155 7.1169 7.1169 7.4245 7.4245 7.6486 7.6486 7.8923 7.8923 8.6236 8.6236 9.1362 9.1362 9.7305 9.7305 9.7690 9.7690 12.8416 12.8416 14.6696 14.6696 15.3814 15.3814 15.5683 15.5683 k = 0.1310 0.8264-0.0000 ( 2418 PWs) bands (ev): -5.5545 -5.5545 -5.2804 -5.2804 3.1170 3.1170 3.6720 3.6720 4.0271 4.0271 4.3911 4.3911 4.7245 4.7245 5.7672 5.7672 6.1111 6.1111 6.8353 6.8353 7.1257 7.1257 7.4282 7.4282 7.6415 7.6415 7.9094 7.9094 8.6183 8.6183 9.0874 9.0874 9.7306 9.7306 9.7702 9.7702 12.8677 12.8677 14.6690 14.6690 15.3280 15.3280 15.5836 15.5836 k = 0.1146 0.8264-0.0000 ( 2418 PWs) bands (ev): -5.5579 -5.5579 -5.2755 -5.2755 3.1364 3.1364 3.6545 3.6545 4.0237 4.0237 4.3572 4.3572 4.7257 4.7257 5.7897 5.7897 6.1231 6.1231 6.8576 6.8576 7.1334 7.1334 7.4320 7.4320 7.6338 7.6338 7.9268 7.9268 8.6126 8.6126 9.0385 9.0385 9.7303 9.7303 9.7714 9.7714 12.8929 12.8929 14.6725 14.6725 15.2733 15.2733 15.6006 15.6006 k = 0.0982 0.8264-0.0000 ( 2414 PWs) bands (ev): -5.5610 -5.5610 -5.2711 -5.2711 3.1565 3.1565 3.6364 3.6364 4.0207 4.0207 4.3266 4.3266 4.7268 4.7268 5.8081 5.8081 6.1349 6.1349 6.8817 6.8817 7.1395 7.1395 7.4361 7.4361 7.6258 7.6258 7.9442 7.9442 8.6067 8.6067 8.9911 8.9911 9.7297 9.7297 9.7725 9.7725 12.9166 12.9166 14.6804 14.6804 15.2188 15.2188 15.6179 15.6179 k = 0.0819 0.8264-0.0000 ( 2414 PWs) bands (ev): -5.5636 -5.5636 -5.2674 -5.2674 3.1768 3.1768 3.6181 3.6181 4.0181 4.0181 4.2999 4.2999 4.7277 4.7277 5.8226 5.8226 6.1458 6.1458 6.9066 6.9066 7.1437 7.1437 7.4402 7.4402 7.6176 7.6176 7.9612 7.9612 8.6004 8.6004 8.9469 8.9469 9.7290 9.7290 9.7735 9.7735 12.9379 12.9379 14.6925 14.6925 15.1659 15.1659 15.6344 15.6344 k = 0.0655 0.8264-0.0000 ( 2412 PWs) bands (ev): -5.5658 -5.5658 -5.2643 -5.2643 3.1963 3.1963 3.6003 3.6003 4.0159 4.0159 4.2777 4.2777 4.7284 4.7284 5.8337 5.8337 6.1553 6.1553 6.9309 6.9309 7.1459 7.1459 7.4444 7.4444 7.6097 7.6097 7.9771 7.9771 8.5942 8.5942 8.9078 8.9078 9.7282 9.7282 9.7743 9.7743 12.9563 12.9563 14.7083 14.7083 15.1158 15.1158 15.6491 15.6491 k = 0.0491 0.8264-0.0000 ( 2412 PWs) bands (ev): -5.5675 -5.5675 -5.2619 -5.2619 3.2140 3.2140 3.5841 3.5841 4.0141 4.0141 4.2602 4.2602 4.7290 4.7290 5.8418 5.8418 6.1630 6.1630 6.9532 6.9532 7.1462 7.1462 7.4484 7.4484 7.6026 7.6026 7.9911 7.9911 8.5882 8.5882 8.8754 8.8754 9.7275 9.7275 9.7750 9.7750 12.9711 12.9711 14.7266 14.7266 15.0702 15.0702 15.6614 15.6614 k = 0.0327 0.8264-0.0000 ( 2416 PWs) bands (ev): -5.5688 -5.5688 -5.2601 -5.2601 3.2283 3.2283 3.5708 3.5708 4.0128 4.0128 4.2476 4.2476 4.7295 4.7295 5.8473 5.8473 6.1686 6.1686 6.9714 6.9714 7.1451 7.1451 7.4516 7.4516 7.5968 7.5968 8.0021 8.0021 8.5830 8.5830 8.8512 8.8512 9.7269 9.7269 9.7755 9.7755 12.9820 12.9820 14.7452 14.7452 15.0318 15.0318 15.6706 15.6706 k = 0.0164 0.8264-0.0000 ( 2414 PWs) bands (ev): -5.5696 -5.5696 -5.2591 -5.2591 3.2377 3.2377 3.5620 3.5620 4.0120 4.0120 4.2400 4.2400 4.7297 4.7297 5.8505 5.8505 6.1721 6.1721 6.9836 6.9836 7.1437 7.1437 7.4539 7.4539 7.5930 7.5930 8.0092 8.0092 8.5795 8.5795 8.8363 8.8363 9.7266 9.7266 9.7758 9.7758 12.9886 12.9886 14.7601 14.7601 15.0049 15.0049 15.6763 15.6763 k = 0.0000 0.8264-0.0000 ( 2414 PWs) bands (ev): -5.5698 -5.5698 -5.2587 -5.2587 3.2411 3.2411 3.5589 3.5589 4.0117 4.0117 4.2374 4.2374 4.7298 4.7298 5.8516 5.8516 6.1732 6.1732 6.9879 6.9879 7.1430 7.1430 7.4547 7.4547 7.5917 7.5917 8.0117 8.0117 8.5782 8.5782 8.8313 8.8313 9.7264 9.7264 9.7759 9.7759 12.9909 12.9909 14.7660 14.7660 14.9950 14.9950 15.6783 15.6783 k = 0.0000 0.8264-0.0000 ( 2414 PWs) bands (ev): -5.5698 -5.5698 -5.2587 -5.2587 3.2411 3.2411 3.5589 3.5589 4.0117 4.0117 4.2374 4.2374 4.7298 4.7298 5.8516 5.8516 6.1732 6.1732 6.9879 6.9879 7.1430 7.1430 7.4547 7.4547 7.5917 7.5917 8.0117 8.0117 8.5782 8.5782 8.8313 8.8313 9.7264 9.7264 9.7759 9.7759 12.9909 12.9909 14.7660 14.7660 14.9950 14.9950 15.6783 15.6783 k = 0.0000 0.8264 0.0164 ( 2418 PWs) bands (ev): -5.5697 -5.5697 -5.2589 -5.2589 3.2418 3.2418 3.5597 3.5597 4.0132 4.0132 4.2380 4.2380 4.7309 4.7309 5.8514 5.8514 6.1732 6.1732 6.9869 6.9869 7.1431 7.1431 7.4514 7.4514 7.5944 7.5944 8.0112 8.0112 8.5770 8.5770 8.8281 8.8281 9.7253 9.7253 9.7722 9.7722 12.9928 12.9928 14.7616 14.7616 15.0002 15.0002 15.6754 15.6754 k = 0.0000 0.8264 0.0327 ( 2412 PWs) bands (ev): -5.5694 -5.5694 -5.2594 -5.2594 3.2441 3.2441 3.5619 3.5619 4.0175 4.0175 4.2397 4.2397 4.7341 4.7341 5.8509 5.8509 6.1734 6.1734 6.9842 6.9842 7.1435 7.1435 7.4424 7.4424 7.6017 7.6017 8.0099 8.0099 8.5734 8.5734 8.8186 8.8186 9.7215 9.7215 9.7615 9.7615 12.9985 12.9985 14.7481 14.7481 15.0155 15.0155 15.6680 15.6680 k = 0.0000 0.8264 0.0491 ( 2414 PWs) bands (ev): -5.5689 -5.5689 -5.2601 -5.2601 3.2478 3.2478 3.5656 3.5656 4.0246 4.0246 4.2424 4.2424 4.7394 4.7394 5.8500 5.8500 6.1735 6.1735 6.9797 6.9797 7.1439 7.1439 7.4291 7.4291 7.6122 7.6122 8.0077 8.0077 8.5674 8.5674 8.8031 8.8031 9.7137 9.7137 9.7452 9.7452 13.0077 13.0077 14.7250 14.7250 15.0404 15.0404 15.6593 15.6593 k = 0.0000 0.8264 0.0655 ( 2414 PWs) bands (ev): -5.5682 -5.5682 -5.2612 -5.2612 3.2530 3.2530 3.5708 3.5708 4.0347 4.0347 4.2463 4.2463 4.7469 4.7469 5.8487 5.8487 6.1738 6.1738 6.9736 6.9736 7.1445 7.1445 7.4128 7.4128 7.6245 7.6245 8.0046 8.0046 8.5588 8.5588 8.7819 8.7819 9.6973 9.6973 9.7281 9.7281 13.0203 13.0203 14.6915 14.6915 15.0743 15.0743 15.6534 15.6534 k = 0.0000 0.8264 0.0818 ( 2418 PWs) bands (ev): -5.5673 -5.5673 -5.2625 -5.2625 3.2597 3.2597 3.5775 3.5775 4.0475 4.0475 4.2512 4.2512 4.7564 4.7564 5.8469 5.8469 6.1740 6.1740 6.9660 6.9660 7.1449 7.1449 7.3946 7.3946 7.6376 7.6376 8.0005 8.0005 8.5479 8.5479 8.7554 8.7554 9.6682 9.6682 9.7144 9.7144 13.0357 13.0357 14.6470 14.6470 15.1166 15.1166 15.6545 15.6545 k = 0.0000 0.8264 0.0982 ( 2424 PWs) bands (ev): -5.5662 -5.5662 -5.2642 -5.2642 3.2678 3.2678 3.5855 3.5855 4.0631 4.0631 4.2572 4.2572 4.7680 4.7680 5.8445 5.8445 6.1744 6.1744 6.9571 6.9571 7.1452 7.1452 7.3752 7.3752 7.6509 7.6509 7.9955 7.9955 8.5344 8.5344 8.7243 8.7243 9.6293 9.6293 9.7015 9.7015 13.0536 13.0536 14.5914 14.5914 15.1671 15.1671 15.6658 15.6658 k = 0.0000 0.8264 0.1146 ( 2422 PWs) bands (ev): -5.5649 -5.5649 -5.2662 -5.2662 3.2775 3.2775 3.5951 3.5951 4.0815 4.0815 4.2643 4.2643 4.7817 4.7817 5.8414 5.8414 6.1748 6.1748 6.9472 6.9472 7.1451 7.1451 7.3551 7.3551 7.6640 7.6640 7.9895 7.9895 8.5185 8.5185 8.6892 8.6892 9.5832 9.5832 9.6870 9.6870 13.0734 13.0734 14.5257 14.5257 15.2255 15.2255 15.6889 15.6889 k = 0.0000 0.8264 0.1309 ( 2420 PWs) bands (ev): -5.5634 -5.5634 -5.2684 -5.2684 3.2885 3.2885 3.6059 3.6059 4.1027 4.1027 4.2725 4.2725 4.7974 4.7974 5.8376 5.8376 6.1753 6.1753 6.9364 6.9364 7.1445 7.1445 7.3346 7.3346 7.6767 7.6767 7.9825 7.9825 8.4999 8.4999 8.6510 8.6510 9.5313 9.5313 9.6701 9.6701 13.0947 13.0947 14.4515 14.4515 15.2914 15.2914 15.7243 15.7243 k = 0.0000 0.8264 0.1473 ( 2422 PWs) bands (ev): -5.5617 -5.5617 -5.2709 -5.2709 3.3010 3.3010 3.6181 3.6181 4.1265 4.1265 4.2817 4.2817 4.8151 4.8151 5.8328 5.8328 6.1758 6.1758 6.9250 6.9250 7.1432 7.1432 7.3140 7.3140 7.6886 7.6886 7.9744 7.9744 8.4784 8.4784 8.6104 8.6104 9.4742 9.4742 9.6503 9.6503 13.1168 13.1168 14.3709 14.3709 15.3645 15.3645 15.7715 15.7715 k = 0.0000 0.8264 0.1636 ( 2416 PWs) bands (ev): -5.5598 -5.5598 -5.2737 -5.2737 3.3150 3.3150 3.6317 3.6317 4.1529 4.1529 4.2920 4.2920 4.8348 4.8348 5.8268 5.8268 6.1765 6.1765 6.9132 6.9132 7.1410 7.1410 7.2938 7.2938 7.6998 7.6998 7.9653 7.9653 8.4537 8.4537 8.5686 8.5686 9.4126 9.4126 9.6274 9.6274 13.1394 13.1394 14.2859 14.2859 15.4446 15.4446 15.8295 15.8295 k = 0.0000 0.8264 0.1800 ( 2410 PWs) bands (ev): -5.5576 -5.5576 -5.2768 -5.2768 3.3303 3.3303 3.6465 3.6465 4.1818 4.1818 4.3034 4.3034 4.8563 4.8563 5.8196 5.8196 6.1773 6.1773 6.9011 6.9011 7.1376 7.1376 7.2744 7.2744 7.7098 7.7098 7.9549 7.9549 8.4252 8.4252 8.5270 8.5270 9.3473 9.3473 9.6011 9.6011 13.1618 13.1618 14.1986 14.1986 15.5311 15.5311 15.8974 15.8974 k = 0.0000 0.8264 0.1964 ( 2408 PWs) bands (ev): -5.5554 -5.5554 -5.2801 -5.2801 3.3470 3.3470 3.6625 3.6625 4.2131 4.2131 4.3158 4.3158 4.8797 4.8797 5.8108 5.8108 6.1783 6.1783 6.8889 6.8889 7.1326 7.1326 7.2559 7.2559 7.7187 7.7187 7.9434 7.9434 8.3923 8.3923 8.4869 8.4869 9.2787 9.2787 9.5714 9.5714 13.1838 13.1838 14.1106 14.1106 15.6237 15.6237 15.9739 15.9739 k = 0.0000 0.8264 0.2127 ( 2412 PWs) bands (ev): -5.5529 -5.5529 -5.2837 -5.2837 3.3650 3.3650 3.6796 3.6796 4.2464 4.2464 4.3296 4.3296 4.9048 4.9048 5.8003 5.8003 6.1794 6.1794 6.8768 6.8768 7.1256 7.1256 7.2390 7.2390 7.7260 7.7260 7.9305 7.9305 8.3549 8.3549 8.4492 8.4492 9.2074 9.2074 9.5382 9.5382 13.2048 13.2048 14.0234 14.0234 15.7219 15.7219 16.0581 16.0581 k = 0.0000 0.8264 0.2291 ( 2418 PWs) bands (ev): -5.5502 -5.5502 -5.2875 -5.2875 3.3844 3.3844 3.6978 3.6978 4.2812 4.2812 4.3450 4.3450 4.9317 4.9317 5.7879 5.7879 6.1809 6.1809 6.8649 6.8649 7.1164 7.1164 7.2241 7.2241 7.7315 7.7315 7.9162 7.9162 8.3138 8.3138 8.4141 8.4141 9.1338 9.1338 9.5017 9.5017 13.2246 13.2246 13.9380 13.9380 15.8251 15.8251 16.1490 16.1490 k = 0.0000 0.8264 0.2455 ( 2414 PWs) bands (ev): -5.5473 -5.5473 -5.2915 -5.2915 3.4050 3.4050 3.7171 3.7171 4.3161 4.3161 4.3636 4.3636 4.9603 4.9603 5.7735 5.7735 6.1829 6.1829 6.8534 6.8534 7.1048 7.1048 7.2115 7.2115 7.7349 7.7349 7.9006 7.9006 8.2704 8.2704 8.3811 8.3811 9.0586 9.0586 9.4620 9.4620 13.2426 13.2426 13.8553 13.8553 15.9328 15.9328 16.2456 16.2456 k = 0.0000 0.8264 0.2618 ( 2412 PWs) bands (ev): -5.5442 -5.5442 -5.2958 -5.2958 3.4268 3.4268 3.7373 3.7373 4.3472 4.3472 4.3888 4.3888 4.9904 4.9904 5.7569 5.7569 6.1853 6.1853 6.8422 6.8422 7.0910 7.0910 7.2010 7.2010 7.7356 7.7356 7.8835 7.8835 8.2264 8.2264 8.3495 8.3495 8.9820 8.9820 9.4191 9.4191 13.2588 13.2588 13.7762 13.7762 16.0444 16.0444 16.3472 16.3472 k = 0.0000 0.8264 0.2782 ( 2416 PWs) bands (ev): -5.5410 -5.5410 -5.3003 -5.3003 3.4498 3.4498 3.7583 3.7583 4.3713 4.3713 4.4238 4.4238 5.0221 5.0221 5.7381 5.7381 6.1881 6.1881 6.8312 6.8312 7.0756 7.0756 7.1924 7.1924 7.7329 7.7329 7.8652 7.8652 8.1829 8.1829 8.3191 8.3191 8.9045 8.9045 9.3734 9.3734 13.2727 13.2727 13.7010 13.7010 16.1591 16.1591 16.4529 16.4529 k = 0.0000 0.8264 0.2946 ( 2416 PWs) bands (ev): -5.5376 -5.5376 -5.3050 -5.3050 3.4738 3.4738 3.7800 3.7800 4.3909 4.3909 4.4659 4.4659 5.0551 5.0551 5.7169 5.7169 6.1915 6.1915 6.8203 6.8203 7.0593 7.0593 7.1850 7.1850 7.7260 7.7260 7.8460 7.8460 8.1411 8.1411 8.2897 8.2897 8.8266 8.8266 9.3251 9.3251 13.2842 13.2842 13.6304 13.6304 16.2761 16.2761 16.5616 16.5616 k = 0.0000 0.8264 0.3109 ( 2416 PWs) bands (ev): -5.5340 -5.5340 -5.3099 -5.3099 3.4990 3.4990 3.8023 3.8023 4.4091 4.4091 4.5118 4.5118 5.0894 5.0894 5.6935 5.6935 6.1956 6.1956 6.8093 6.8093 7.0428 7.0428 7.1786 7.1786 7.7140 7.7140 7.8263 7.8263 8.1016 8.1016 8.2617 8.2617 8.7487 8.7487 9.2746 9.2746 13.2931 13.2931 13.5645 13.5645 16.3942 16.3942 16.6723 16.6723 k = 0.0000 0.8264 0.3273 ( 2416 PWs) bands (ev): -5.5302 -5.5302 -5.3150 -5.3150 3.5250 3.5250 3.8252 3.8252 4.4268 4.4268 4.5604 4.5604 5.1249 5.1249 5.6680 5.6680 6.2002 6.2002 6.7980 6.7980 7.0268 7.0268 7.1729 7.1729 7.6960 7.6960 7.8068 7.8068 8.0645 8.0645 8.2353 8.2353 8.6714 8.6714 9.2222 9.2222 13.2992 13.2992 13.5037 13.5037 16.5115 16.5115 16.7826 16.7826 k = 0.0000 0.8264 0.3437 ( 2414 PWs) bands (ev): -5.5262 -5.5262 -5.3202 -5.3202 3.5520 3.5520 3.8483 3.8483 4.4445 4.4445 4.6110 4.6110 5.1613 5.1613 5.6404 5.6404 6.2055 6.2055 6.7860 6.7860 7.0118 7.0118 7.1675 7.1675 7.6719 7.6719 7.7875 7.7875 8.0296 8.0296 8.2110 8.2110 8.5952 8.5952 9.1684 9.1684 13.3021 13.3021 13.4484 13.4484 16.6245 16.6245 16.8852 16.8852 k = 0.0000 0.8264 0.3600 ( 2414 PWs) bands (ev): -5.5221 -5.5221 -5.3256 -5.3256 3.5798 3.5798 3.8716 3.8716 4.4623 4.4623 4.6632 4.6632 5.1984 5.1984 5.6110 5.6110 6.2113 6.2113 6.7729 6.7729 6.9983 6.9983 7.1624 7.1624 7.6424 7.6424 7.7685 7.7685 7.9961 7.9961 8.1888 8.1888 8.5210 8.5210 9.1137 9.1137 13.3013 13.3013 13.3991 13.3991 16.7251 16.7251 16.9590 16.9590 k = 0.0000 0.8264 0.3764 ( 2412 PWs) bands (ev): -5.5178 -5.5178 -5.3312 -5.3312 3.6082 3.6082 3.8949 3.8949 4.4803 4.4803 4.7167 4.7167 5.2360 5.2360 5.5803 5.5803 6.2177 6.2177 6.7585 6.7585 6.9868 6.9868 7.1574 7.1574 7.6086 7.6086 7.7494 7.7494 7.9634 7.9634 8.1684 8.1684 8.4498 8.4498 9.0584 9.0584 13.2951 13.2951 13.3577 13.3577 16.7998 16.7998 17.0231 17.0231 k = 0.0000 0.8264 0.3927 ( 2414 PWs) bands (ev): -5.5133 -5.5133 -5.3369 -5.3369 3.6372 3.6372 3.9178 3.9178 4.4985 4.4985 4.7711 4.7711 5.2736 5.2736 5.5486 5.5486 6.2246 6.2246 6.7426 6.7426 6.9776 6.9776 7.1526 7.1526 7.5716 7.5716 7.7299 7.7299 7.9305 7.9305 8.1487 8.1487 8.3836 8.3836 9.0031 9.0031 13.2791 13.2791 13.3285 13.3285 16.8447 16.8447 17.1126 17.1126 k = 0.0000 0.8264 0.4091 ( 2416 PWs) bands (ev): -5.5087 -5.5087 -5.3427 -5.3427 3.6667 3.6667 3.9403 3.9403 4.5170 4.5170 4.8259 4.8259 5.3105 5.3105 5.5169 5.5169 6.2319 6.2319 6.7249 6.7249 6.9706 6.9706 7.1480 7.1480 7.5324 7.5324 7.7102 7.7102 7.8969 7.8969 8.1269 8.1269 8.3256 8.3256 8.9482 8.9482 13.2531 13.2531 13.3117 13.3117 16.8738 16.8738 17.2203 17.2203 k = 0.0000 0.8264 0.4255 ( 2410 PWs) bands (ev): -5.5039 -5.5039 -5.3486 -5.3486 3.6965 3.6965 3.9618 3.9618 4.5359 4.5359 4.8806 4.8806 5.3452 5.3452 5.4871 5.4871 6.2396 6.2396 6.7058 6.7058 6.9661 6.9661 7.1436 7.1436 7.4921 7.4921 7.6903 7.6903 7.8622 7.8622 8.0987 8.0987 8.2801 8.2801 8.8943 8.8943 13.2248 13.2248 13.2998 13.2998 16.8989 16.8989 17.3352 17.3352 k = 0.0000 0.8264 0.4418 ( 2412 PWs) bands (ev): -5.4989 -5.4989 -5.3547 -5.3547 3.7265 3.7265 3.9823 3.9823 4.5553 4.5553 4.9342 4.9342 5.3727 5.3727 5.4643 5.4643 6.2477 6.2477 6.6851 6.6851 6.9637 6.9637 7.1393 7.1393 7.4512 7.4512 7.6707 7.6707 7.8262 7.8262 8.0612 8.0612 8.2504 8.2504 8.8415 8.8415 13.1985 13.1985 13.2883 13.2883 16.9251 16.9251 17.4517 17.4517 k = 0.0000 0.8264 0.4582 ( 2410 PWs) bands (ev): -5.4938 -5.4938 -5.3608 -5.3608 3.7565 3.7565 4.0012 4.0012 4.5754 4.5754 4.9852 4.9852 5.3800 5.3800 5.4626 5.4626 6.2561 6.2561 6.6633 6.6633 6.9632 6.9632 7.1354 7.1354 7.4103 7.4103 7.6515 7.6515 7.7888 7.7888 8.0159 8.0159 8.2352 8.2352 8.7904 8.7904 13.1755 13.1755 13.2763 13.2763 16.9544 16.9544 17.5668 17.5668 k = 0.0000 0.8264 0.4746 ( 2410 PWs) bands (ev): -5.4886 -5.4886 -5.3670 -5.3670 3.7864 3.7864 4.0183 4.0183 4.5963 4.5963 5.0313 5.0313 5.3667 5.3667 5.4841 5.4841 6.2649 6.2649 6.6405 6.6405 6.9645 6.9645 7.1316 7.1316 7.3703 7.3703 7.6328 7.6328 7.7504 7.7504 7.9674 7.9674 8.2302 8.2302 8.7413 8.7413 13.1561 13.1561 13.2634 13.2634 16.9873 16.9873 17.6776 17.6776 k = 0.0000 0.8264 0.4909 ( 2410 PWs) bands (ev): -5.4833 -5.4833 -5.3732 -5.3732 3.8159 3.8159 4.0331 4.0331 4.6183 4.6183 5.0683 5.0683 5.3524 5.3524 5.5126 5.5126 6.2741 6.2741 6.6169 6.6169 6.9671 6.9671 7.1281 7.1281 7.3319 7.3319 7.6141 7.6141 7.7121 7.7121 7.9193 7.9193 8.2319 8.2319 8.6942 8.6942 13.1402 13.1402 13.2497 13.2497 17.0242 17.0242 17.7779 17.7779 k = 0.0000 0.8264 0.5073 ( 2408 PWs) bands (ev): -5.4778 -5.4778 -5.3795 -5.3795 3.8449 3.8449 4.0454 4.0454 4.6415 4.6415 5.0902 5.0902 5.3490 5.3490 5.5411 5.5411 6.2838 6.2838 6.5928 6.5928 6.9708 6.9708 7.1244 7.1244 7.2963 7.2963 7.5935 7.5935 7.6761 7.6761 7.8740 7.8740 8.2381 8.2381 8.6495 8.6495 13.1278 13.1278 13.2354 13.2354 17.0649 17.0649 17.8445 17.8445 k = 0.0000 0.8264 0.5237 ( 2404 PWs) bands (ev): -5.4722 -5.4722 -5.3859 -5.3859 3.8731 3.8731 4.0549 4.0549 4.6661 4.6661 5.0929 5.0929 5.3622 5.3622 5.5671 5.5671 6.2942 6.2942 6.5684 6.5684 6.9752 6.9752 7.1199 7.1199 7.2653 7.2653 7.5673 7.5673 7.6473 7.6473 7.8325 7.8325 8.2477 8.2477 8.6072 8.6072 13.1187 13.1187 13.2208 13.2208 17.1092 17.1092 17.8606 17.8606 k = 0.0000 0.8264 0.5400 ( 2404 PWs) bands (ev): -5.4665 -5.4665 -5.3922 -5.3922 3.9004 3.9004 4.0612 4.0612 4.6922 4.6922 5.0787 5.0787 5.3898 5.3898 5.5890 5.5890 6.3055 6.3055 6.5438 6.5438 6.9800 6.9800 7.1131 7.1131 7.2417 7.2417 7.5330 7.5330 7.6288 7.6288 7.7950 7.7950 8.2599 8.2599 8.5673 8.5673 13.1127 13.1127 13.2061 13.2061 17.1571 17.1571 17.8415 17.8415 k = 0.0000 0.8264 0.5564 ( 2402 PWs) bands (ev): -5.4607 -5.4607 -5.3986 -5.3986 3.9265 3.9265 4.0642 4.0642 4.7199 4.7199 5.0535 5.0535 5.4254 5.4254 5.6060 5.6060 6.3180 6.3180 6.5192 6.5192 6.9851 6.9851 7.1023 7.1023 7.2282 7.2282 7.4932 7.4932 7.6194 7.6194 7.7615 7.7615 8.2744 8.2744 8.5298 8.5298 13.1095 13.1095 13.1915 13.1915 17.2081 17.2081 17.8006 17.8006 k = 0.0000 0.8264 0.5728 ( 2400 PWs) bands (ev): -5.4547 -5.4547 -5.4050 -5.4050 3.9510 3.9510 4.0638 4.0638 4.7493 4.7493 5.0225 5.0225 5.4638 5.4638 5.6169 5.6169 6.3318 6.3318 6.4947 6.4947 6.9905 6.9905 7.0871 7.0871 7.2263 7.2263 7.4514 7.4514 7.6164 7.6164 7.7317 7.7317 8.2911 8.2911 8.4948 8.4948 13.1091 13.1091 13.1774 13.1774 17.2620 17.2620 17.7475 17.7475 k = 0.0000 0.8264 0.5891 ( 2400 PWs) bands (ev): -5.4487 -5.4487 -5.4113 -5.4113 3.9739 3.9739 4.0600 4.0600 4.7803 4.7803 4.9884 4.9884 5.5014 5.5014 5.6211 5.6211 6.3471 6.3471 6.4706 6.4706 6.9965 6.9965 7.0696 7.0696 7.2345 7.2345 7.4102 7.4102 7.6182 7.6182 7.7055 7.7055 8.3097 8.3097 8.4620 8.4620 13.1112 13.1112 13.1640 13.1640 17.3185 17.3185 17.6883 17.6883 k = 0.0000 0.8264 0.6055 ( 2402 PWs) bands (ev): -5.4426 -5.4426 -5.4177 -5.4177 3.9947 3.9947 4.0529 4.0529 4.8128 4.8128 4.9529 4.9529 5.5360 5.5360 5.6181 5.6181 6.3640 6.3640 6.4471 6.4471 7.0035 7.0035 7.0522 7.0522 7.2508 7.2508 7.3709 7.3709 7.6241 7.6241 7.6826 7.6826 8.3301 8.3301 8.4315 8.4315 13.1155 13.1155 13.1515 13.1515 17.3772 17.3772 17.6261 17.6261 k = 0.0000 0.8264 0.6218 ( 2406 PWs) bands (ev): -5.4365 -5.4365 -5.4240 -5.4240 4.0133 4.0133 4.0427 4.0427 4.8466 4.8466 4.9170 4.9170 5.5660 5.5660 5.6077 5.6077 6.3826 6.3826 6.4244 6.4244 7.0122 7.0122 7.0364 7.0364 7.2736 7.2736 7.3344 7.3344 7.6336 7.6336 7.6630 7.6630 8.3525 8.3525 8.4031 8.4031 13.1220 13.1220 13.1402 13.1402 17.4378 17.4378 17.5630 17.5630 k = 0.0000 0.8264 0.6382 ( 2404 PWs) bands (ev): -5.4303 -5.4303 -5.4303 -5.4303 4.0294 4.0294 4.0294 4.0294 4.8814 4.8814 4.8814 4.8814 5.5902 5.5902 5.5902 5.5902 6.4028 6.4028 6.4028 6.4028 7.0231 7.0231 7.0231 7.0231 7.3018 7.3018 7.3018 7.3018 7.6467 7.6467 7.6467 7.6467 8.3768 8.3768 8.3768 8.3768 13.1302 13.1302 13.1302 13.1302 17.5000 17.5000 17.5000 17.5000 k = 0.0000 0.8264 0.6382 ( 2404 PWs) bands (ev): -5.4303 -5.4303 -5.4303 -5.4303 4.0294 4.0294 4.0294 4.0294 4.8814 4.8814 4.8814 4.8814 5.5902 5.5902 5.5902 5.5902 6.4028 6.4028 6.4028 6.4028 7.0231 7.0231 7.0231 7.0231 7.3018 7.3018 7.3018 7.3018 7.6467 7.6467 7.6467 7.6467 8.3768 8.3768 8.3768 8.3768 13.1302 13.1302 13.1302 13.1302 17.5000 17.5000 17.5000 17.5000 k = 0.0164 0.8264 0.6382 ( 2406 PWs) bands (ev): -5.4303 -5.4303 -5.4302 -5.4302 4.0295 4.0295 4.0301 4.0301 4.8776 4.8776 4.8798 4.8798 5.5925 5.5925 5.5928 5.5928 6.4009 6.4009 6.4049 6.4049 7.0191 7.0191 7.0256 7.0256 7.2909 7.2909 7.3115 7.3115 7.6436 7.6436 7.6497 7.6497 8.3640 8.3640 8.3919 8.3919 13.1313 13.1313 13.1326 13.1326 17.4784 17.4784 17.5102 17.5102 k = 0.0327 0.8264 0.6382 ( 2404 PWs) bands (ev): -5.4304 -5.4304 -5.4302 -5.4302 4.0304 4.0304 4.0317 4.0317 4.8686 4.8686 4.8728 4.8728 5.5998 5.5998 5.6002 5.6002 6.3992 6.3992 6.4071 6.4071 7.0134 7.0134 7.0266 7.0266 7.2791 7.2791 7.3198 7.3198 7.6408 7.6408 7.6526 7.6526 8.3537 8.3537 8.4090 8.4090 13.1359 13.1359 13.1385 13.1385 17.4472 17.4472 17.5087 17.5087 k = 0.0491 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4305 -5.4305 -5.4301 -5.4301 4.0322 4.0322 4.0342 4.0342 4.8549 4.8549 4.8607 4.8607 5.6116 5.6116 5.6117 5.6117 6.3977 6.3977 6.4094 6.4094 7.0059 7.0059 7.0262 7.0262 7.2668 7.2668 7.3266 7.3266 7.6383 7.6383 7.6551 7.6551 8.3461 8.3461 8.4277 8.4277 13.1438 13.1438 13.1477 13.1477 17.4080 17.4080 17.4958 17.4958 k = 0.0655 0.8264 0.6382 ( 2408 PWs) bands (ev): -5.4306 -5.4306 -5.4301 -5.4301 4.0349 4.0349 4.0374 4.0374 4.8372 4.8372 4.8444 4.8444 5.6265 5.6265 5.6275 5.6275 6.3965 6.3965 6.4116 6.4116 6.9965 6.9965 7.0246 7.0246 7.2546 7.2546 7.3320 7.3320 7.6362 7.6362 7.6573 7.6573 8.3414 8.3414 8.4476 8.4476 13.1549 13.1549 13.1601 13.1601 17.3630 17.3630 17.4730 17.4730 k = 0.0819 0.8264 0.6382 ( 2410 PWs) bands (ev): -5.4307 -5.4307 -5.4301 -5.4301 4.0383 4.0383 4.0415 4.0415 4.8162 4.8162 4.8244 4.8244 5.6439 5.6439 5.6466 5.6466 6.3956 6.3956 6.4137 6.4137 6.9849 6.9849 7.0216 7.0216 7.2430 7.2430 7.3362 7.3362 7.6345 7.6345 7.6590 7.6590 8.3395 8.3395 8.4683 8.4683 13.1691 13.1691 13.1755 13.1755 17.3140 17.3140 17.4423 17.4423 k = 0.0982 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4308 -5.4308 -5.4301 -5.4301 4.0425 4.0425 4.0463 4.0463 4.7927 4.7927 4.8015 4.8015 5.6630 5.6630 5.6682 5.6682 6.3949 6.3949 6.4156 6.4156 6.9711 6.9711 7.0173 7.0173 7.2325 7.2325 7.3392 7.3392 7.6334 7.6334 7.6603 7.6603 8.3404 8.3404 8.4897 8.4897 13.1859 13.1859 13.1936 13.1936 17.2625 17.2625 17.4057 17.4057 k = 0.1146 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4310 -5.4310 -5.4302 -5.4302 4.0474 4.0474 4.0517 4.0517 4.7675 4.7675 4.7766 4.7766 5.6829 5.6829 5.6915 5.6915 6.3946 6.3946 6.4171 6.4171 6.9555 6.9555 7.0118 7.0118 7.2234 7.2234 7.3414 7.3414 7.6328 7.6328 7.6613 7.6613 8.3439 8.3439 8.5113 8.5113 13.2051 13.2051 13.2141 13.2141 17.2100 17.2100 17.3654 17.3654 k = 0.1310 0.8264 0.6382 ( 2416 PWs) bands (ev): -5.4312 -5.4312 -5.4303 -5.4303 4.0529 4.0529 4.0578 4.0578 4.7411 4.7411 4.7504 4.7504 5.7030 5.7030 5.7156 5.7156 6.3945 6.3945 6.4181 6.4181 6.9381 6.9381 7.0052 7.0052 7.2160 7.2160 7.3429 7.3429 7.6328 7.6328 7.6621 7.6621 8.3497 8.3497 8.5327 8.5327 13.2264 13.2264 13.2366 13.2366 17.1578 17.1578 17.3229 17.3229 k = 0.1474 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4314 -5.4314 -5.4304 -5.4304 4.0590 4.0590 4.0644 4.0644 4.7143 4.7143 4.7234 4.7234 5.7224 5.7224 5.7400 5.7400 6.3948 6.3948 6.4187 6.4187 6.9197 6.9197 6.9977 6.9977 7.2103 7.2103 7.3441 7.3441 7.6333 7.6333 7.6628 7.6628 8.3574 8.3574 8.5539 8.5539 13.2492 13.2492 13.2606 13.2606 17.1068 17.1068 17.2800 17.2800 k = 0.1637 0.8264 0.6382 ( 2414 PWs) bands (ev): -5.4317 -5.4317 -5.4306 -5.4306 4.0656 4.0656 4.0714 4.0714 4.6875 4.6875 4.6964 4.6964 5.7406 5.7406 5.7638 5.7638 6.3954 6.3954 6.4186 6.4186 6.9007 6.9007 6.9894 6.9894 7.2064 7.2064 7.3450 7.3450 7.6343 7.6343 7.6637 7.6637 8.3668 8.3668 8.5745 8.5745 13.2731 13.2731 13.2857 13.2857 17.0581 17.0581 17.2379 17.2379 k = 0.1801 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4320 -5.4320 -5.4309 -5.4309 4.0725 4.0725 4.0786 4.0786 4.6614 4.6614 4.6700 4.6700 5.7571 5.7571 5.7864 5.7864 6.3964 6.3964 6.4178 6.4178 6.8818 6.8818 6.9806 6.9806 7.2040 7.2040 7.3459 7.3459 7.6359 7.6359 7.6649 7.6649 8.3774 8.3774 8.5944 8.5944 13.2976 13.2976 13.3113 13.3113 17.0126 17.0126 17.1978 17.1978 k = 0.1965 0.8264 0.6382 ( 2410 PWs) bands (ev): -5.4324 -5.4324 -5.4312 -5.4312 4.0796 4.0796 4.0859 4.0859 4.6365 4.6365 4.6446 4.6446 5.7712 5.7712 5.8071 5.8071 6.3976 6.3976 6.4164 6.4164 6.8639 6.8639 6.9717 6.9717 7.2030 7.2030 7.3467 7.3467 7.6380 7.6380 7.6665 7.6665 8.3890 8.3890 8.6133 8.6133 13.3221 13.3221 13.3369 13.3369 16.9710 16.9710 17.1607 17.1607 k = 0.2129 0.8264 0.6382 ( 2408 PWs) bands (ev): -5.4329 -5.4329 -5.4316 -5.4316 4.0865 4.0865 4.0929 4.0929 4.6131 4.6131 4.6209 4.6209 5.7826 5.7826 5.8251 5.8251 6.3992 6.3992 6.4145 6.4145 6.8474 6.8474 6.9629 6.9629 7.2032 7.2032 7.3477 7.3477 7.6405 7.6405 7.6686 7.6686 8.4011 8.4011 8.6311 8.6311 13.3461 13.3461 13.3619 13.3619 16.9341 16.9341 17.1275 17.1275 k = 0.2292 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4335 -5.4335 -5.4321 -5.4321 4.0931 4.0931 4.0995 4.0995 4.5919 4.5919 4.5994 4.5994 5.7908 5.7908 5.8399 5.8399 6.4011 6.4011 6.4123 6.4123 6.8330 6.8330 6.9546 6.9546 7.2045 7.2045 7.3487 7.3487 7.6436 7.6436 7.6714 7.6714 8.4134 8.4134 8.6475 8.6475 13.3690 13.3690 13.3857 13.3857 16.9028 16.9028 17.0989 17.0989 k = 0.2456 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4341 -5.4341 -5.4328 -5.4328 4.0991 4.0991 4.1052 4.1052 4.5733 4.5733 4.5808 4.5808 5.7956 5.7956 5.8507 5.8507 6.4034 6.4034 6.4099 6.4099 6.8211 6.8211 6.9470 6.9470 7.2067 7.2067 7.3499 7.3499 7.6472 7.6472 7.6749 7.6749 8.4258 8.4258 8.6624 8.6624 13.3904 13.3904 13.4078 13.4078 16.8775 16.8775 17.0757 17.0757 k = 0.2620 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4349 -5.4349 -5.4335 -5.4335 4.1042 4.1042 4.1096 4.1096 4.5579 4.5579 4.5655 4.5655 5.7967 5.7967 5.8571 5.8571 6.4060 6.4060 6.4079 6.4079 6.8120 6.8120 6.9406 6.9406 7.2097 7.2097 7.3512 7.3512 7.6512 7.6512 7.6790 7.6790 8.4379 8.4379 8.6758 8.6758 13.4096 13.4096 13.4276 13.4276 16.8590 16.8590 17.0585 17.0585 k = 0.2784 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4358 -5.4358 -5.4344 -5.4344 4.1079 4.1079 4.1126 4.1126 4.5462 4.5462 4.5541 4.5541 5.7941 5.7941 5.8586 5.8586 6.4064 6.4064 6.4089 6.4089 6.8059 6.8059 6.9355 6.9355 7.2134 7.2134 7.3526 7.3526 7.6557 7.6557 7.6839 7.6839 8.4496 8.4496 8.6874 8.6874 13.4263 13.4263 13.4446 13.4446 16.8477 16.8477 17.0477 17.0477 k = 0.2784 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4358 -5.4358 -5.4344 -5.4344 4.1079 4.1079 4.1126 4.1126 4.5462 4.5462 4.5541 4.5541 5.7941 5.7941 5.8586 5.8586 6.4064 6.4064 6.4089 6.4089 6.8059 6.8059 6.9355 6.9355 7.2134 7.2134 7.3526 7.3526 7.6557 7.6557 7.6839 7.6839 8.4496 8.4496 8.6874 8.6874 13.4263 13.4263 13.4446 13.4446 16.8477 16.8477 17.0477 17.0477 k = 0.2731 0.8108 0.6382 ( 2412 PWs) bands (ev): -5.4332 -5.4332 -5.4318 -5.4318 4.0979 4.0979 4.1052 4.1052 4.5777 4.5777 4.5844 4.5844 5.8075 5.8075 5.8612 5.8612 6.3993 6.3993 6.4089 6.4089 6.8211 6.8211 6.9494 6.9494 7.2016 7.2016 7.3484 7.3484 7.6413 7.6413 7.6683 7.6683 8.4148 8.4148 8.6544 8.6544 13.3798 13.3798 13.3973 13.3973 16.8708 16.8708 17.0700 17.0700 k = 0.2679 0.7952 0.6382 ( 2412 PWs) bands (ev): -5.4313 -5.4313 -5.4300 -5.4300 4.0873 4.0873 4.0969 4.0969 4.6101 4.6101 4.6163 4.6163 5.8197 5.8197 5.8626 5.8626 6.3890 6.3890 6.4091 6.4091 6.8379 6.8379 6.9633 6.9633 7.1910 7.1910 7.3448 7.3448 7.6277 7.6277 7.6540 7.6540 8.3824 8.3824 8.6233 8.6233 13.3368 13.3368 13.3536 13.3536 16.8924 16.8924 17.0902 17.0902 k = 0.2626 0.7796 0.6382 ( 2412 PWs) bands (ev): -5.4302 -5.4302 -5.4290 -5.4290 4.0768 4.0768 4.0883 4.0883 4.6426 4.6426 4.6488 4.6488 5.8305 5.8305 5.8629 5.8629 6.3784 6.3784 6.4072 6.4072 6.8558 6.8558 6.9767 6.9767 7.1820 7.1820 7.3419 7.3419 7.6149 7.6149 7.6408 7.6408 8.3527 8.3527 8.5943 8.5943 13.2974 13.2974 13.3135 13.3135 16.9129 16.9129 17.1089 17.1089 k = 0.2574 0.7640 0.6382 ( 2404 PWs) bands (ev): -5.4299 -5.4299 -5.4287 -5.4287 4.0672 4.0672 4.0803 4.0803 4.6746 4.6746 4.6811 4.6811 5.8399 5.8399 5.8621 5.8621 6.3674 6.3674 6.4032 6.4032 6.8741 6.8741 6.9894 6.9894 7.1747 7.1747 7.3397 7.3397 7.6028 7.6028 7.6288 7.6288 8.3262 8.3262 8.5680 8.5680 13.2618 13.2618 13.2771 13.2771 16.9326 16.9326 17.1265 17.1265 k = 0.2521 0.7485 0.6382 ( 2400 PWs) bands (ev): -5.4304 -5.4304 -5.4293 -5.4293 4.0587 4.0587 4.0731 4.0731 4.7056 4.7056 4.7126 4.7126 5.8475 5.8475 5.8603 5.8603 6.3561 6.3561 6.3974 6.3974 6.8921 6.8921 7.0010 7.0010 7.1693 7.1693 7.3383 7.3383 7.5914 7.5914 7.6177 7.6177 8.3035 8.3035 8.5446 8.5446 13.2299 13.2299 13.2446 13.2446 16.9518 16.9518 17.1433 17.1433 k = 0.2469 0.7329 0.6382 ( 2402 PWs) bands (ev): -5.4317 -5.4317 -5.4306 -5.4306 4.0516 4.0516 4.0671 4.0671 4.7351 4.7351 4.7429 4.7429 5.8534 5.8534 5.8576 5.8576 6.3446 6.3446 6.3901 6.3901 6.9091 6.9091 7.0113 7.0113 7.1660 7.1660 7.3376 7.3376 7.5805 7.5805 7.6073 7.6073 8.2849 8.2849 8.5245 8.5245 13.2019 13.2019 13.2159 13.2159 16.9709 16.9709 17.1598 17.1598 k = 0.2416 0.7173 0.6382 ( 2406 PWs) bands (ev): -5.4337 -5.4337 -5.4327 -5.4327 4.0461 4.0461 4.0626 4.0626 4.7629 4.7629 4.7716 4.7716 5.8540 5.8540 5.8575 5.8575 6.3333 6.3333 6.3815 6.3815 6.9244 6.9244 7.0201 7.0201 7.1649 7.1649 7.3375 7.3375 7.5702 7.5702 7.5978 7.5978 8.2709 8.2709 8.5081 8.5081 13.1779 13.1779 13.1913 13.1913 16.9901 16.9901 17.1764 17.1764 k = 0.2363 0.7017 0.6382 ( 2410 PWs) bands (ev): -5.4366 -5.4366 -5.4356 -5.4356 4.0423 4.0423 4.0596 4.0596 4.7886 4.7886 4.7982 4.7982 5.8495 5.8495 5.8596 5.8596 6.3221 6.3221 6.3722 6.3722 6.9375 6.9375 7.0275 7.0275 7.1661 7.1661 7.3379 7.3379 7.5604 7.5604 7.5888 7.5888 8.2618 8.2618 8.4958 8.4958 13.1579 13.1579 13.1706 13.1706 17.0098 17.0098 17.1933 17.1933 k = 0.2311 0.6861 0.6382 ( 2418 PWs) bands (ev): -5.4402 -5.4402 -5.4393 -5.4393 4.0404 4.0404 4.0583 4.0583 4.8119 4.8119 4.8225 4.8225 5.8441 5.8441 5.8597 5.8597 6.3114 6.3114 6.3625 6.3625 6.9480 6.9480 7.0333 7.0333 7.1693 7.1693 7.3387 7.3387 7.5512 7.5512 7.5805 7.5805 8.2578 8.2578 8.4877 8.4877 13.1420 13.1420 13.1540 13.1540 17.0302 17.0302 17.2109 17.2109 k = 0.2258 0.6705 0.6382 ( 2418 PWs) bands (ev): -5.4446 -5.4446 -5.4437 -5.4437 4.0402 4.0402 4.0587 4.0587 4.8326 4.8326 4.8441 4.8441 5.8381 5.8381 5.8578 5.8578 6.3013 6.3013 6.3527 6.3527 6.9561 6.9561 7.0379 7.0379 7.1743 7.1743 7.3395 7.3395 7.5426 7.5426 7.5728 7.5728 8.2590 8.2590 8.4840 8.4840 13.1301 13.1301 13.1416 13.1416 17.0515 17.0515 17.2295 17.2295 k = 0.2206 0.6549 0.6382 ( 2410 PWs) bands (ev): -5.4496 -5.4496 -5.4489 -5.4489 4.0420 4.0420 4.0609 4.0609 4.8505 4.8505 4.8628 4.8628 5.8313 5.8313 5.8540 5.8540 6.2921 6.2921 6.3433 6.3433 6.9620 6.9620 7.0413 7.0413 7.1803 7.1803 7.3403 7.3403 7.5348 7.5348 7.5658 7.5658 8.2655 8.2655 8.4850 8.4850 13.1224 13.1224 13.1332 13.1332 17.0740 17.0740 17.2492 17.2492 k = 0.2153 0.6393 0.6382 ( 2406 PWs) bands (ev): -5.4555 -5.4555 -5.4547 -5.4547 4.0456 4.0456 4.0648 4.0648 4.8652 4.8652 4.8783 4.8783 5.8238 5.8238 5.8483 5.8483 6.2837 6.2837 6.3347 6.3347 6.9659 6.9659 7.0438 7.0438 7.1867 7.1867 7.3407 7.3407 7.5276 7.5276 7.5594 7.5594 8.2770 8.2770 8.4905 8.4905 13.1188 13.1188 13.1291 13.1291 17.0976 17.0976 17.2703 17.2703 k = 0.2101 0.6237 0.6382 ( 2402 PWs) bands (ev): -5.4620 -5.4620 -5.4613 -5.4613 4.0509 4.0509 4.0703 4.0703 4.8767 4.8767 4.8904 4.8904 5.8156 5.8156 5.8410 5.8410 6.2765 6.2765 6.3270 6.3270 6.9684 6.9684 7.0457 7.0457 7.1931 7.1931 7.3408 7.3408 7.5212 7.5212 7.5538 7.5538 8.2932 8.2932 8.5004 8.5004 13.1195 13.1195 13.1291 13.1291 17.1227 17.1227 17.2929 17.2929 k = 0.2048 0.6081 0.6382 ( 2398 PWs) bands (ev): -5.4691 -5.4691 -5.4685 -5.4685 4.0581 4.0581 4.0775 4.0775 4.8845 4.8845 4.8987 4.8987 5.8069 5.8069 5.8321 5.8321 6.2704 6.2704 6.3207 6.3207 6.9699 6.9699 7.0470 7.0470 7.1989 7.1989 7.3403 7.3403 7.5157 7.5157 7.5492 7.5492 8.3138 8.3138 8.5146 8.5146 13.1243 13.1243 13.1333 13.1333 17.1492 17.1492 17.3170 17.3170 k = 0.1996 0.5925 0.6382 ( 2398 PWs) bands (ev): -5.4769 -5.4769 -5.4764 -5.4764 4.0670 4.0670 4.0863 4.0863 4.8887 4.8887 4.9033 4.9033 5.7976 5.7976 5.8220 5.8220 6.2656 6.2656 6.3160 6.3160 6.9705 6.9705 7.0480 7.0480 7.2039 7.2039 7.3392 7.3392 7.5112 7.5112 7.5458 7.5458 8.3382 8.3382 8.5328 8.5328 13.1332 13.1332 13.1416 13.1416 17.1773 17.1773 17.3429 17.3429 k = 0.1943 0.5769 0.6382 ( 2398 PWs) bands (ev): -5.4853 -5.4853 -5.4848 -5.4848 4.0775 4.0775 4.0966 4.0966 4.8890 4.8890 4.9040 4.9040 5.7877 5.7877 5.8108 5.8108 6.2620 6.2620 6.3130 6.3130 6.9708 6.9708 7.0489 7.0489 7.2079 7.2079 7.3377 7.3377 7.5079 7.5079 7.5438 7.5438 8.3659 8.3659 8.5545 8.5545 13.1464 13.1464 13.1541 13.1541 17.2070 17.2070 17.3704 17.3704 k = 0.1891 0.5613 0.6382 ( 2402 PWs) bands (ev): -5.4943 -5.4943 -5.4938 -5.4938 4.0896 4.0896 4.1081 4.1081 4.8855 4.8855 4.9008 4.9008 5.7773 5.7773 5.7988 5.7988 6.2597 6.2597 6.3118 6.3118 6.9708 6.9708 7.0496 7.0496 7.2108 7.2108 7.3358 7.3358 7.5058 7.5058 7.5434 7.5434 8.3965 8.3965 8.5794 8.5794 13.1636 13.1636 13.1707 13.1707 17.2382 17.2382 17.3997 17.3997 k = 0.1838 0.5457 0.6382 ( 2398 PWs) bands (ev): -5.5037 -5.5037 -5.5033 -5.5033 4.1031 4.1031 4.1210 4.1210 4.8781 4.8781 4.8939 4.8939 5.7664 5.7664 5.7861 5.7861 6.2586 6.2586 6.3126 6.3126 6.9707 6.9707 7.0502 7.0502 7.2129 7.2129 7.3335 7.3335 7.5053 7.5053 7.5450 7.5450 8.4294 8.4294 8.6070 8.6070 13.1849 13.1849 13.1914 13.1914 17.2711 17.2711 17.4308 17.4308 k = 0.1786 0.5302 0.6382 ( 2402 PWs) bands (ev): -5.5137 -5.5137 -5.5133 -5.5133 4.1180 4.1180 4.1350 4.1350 4.8670 4.8670 4.8835 4.8835 5.7550 5.7550 5.7729 5.7729 6.2586 6.2586 6.3151 6.3151 6.9706 6.9706 7.0507 7.0507 7.2141 7.2141 7.3311 7.3311 7.5063 7.5063 7.5485 7.5485 8.4641 8.4641 8.6370 8.6370 13.2102 13.2102 13.2160 13.2160 17.3055 17.3055 17.4635 17.4635 k = 0.1733 0.5146 0.6382 ( 2406 PWs) bands (ev): -5.5240 -5.5240 -5.5237 -5.5237 4.1340 4.1340 4.1498 4.1498 4.8524 4.8524 4.8697 4.8697 5.7430 5.7430 5.7594 5.7594 6.2597 6.2597 6.3192 6.3192 6.9706 6.9706 7.0511 7.0511 7.2147 7.2147 7.3285 7.3285 7.5091 7.5091 7.5544 7.5544 8.5002 8.5002 8.6688 8.6688 13.2394 13.2394 13.2444 13.2444 17.3413 17.3413 17.4979 17.4979 k = 0.1681 0.4990 0.6382 ( 2402 PWs) bands (ev): -5.5348 -5.5348 -5.5345 -5.5345 4.1512 4.1512 4.1655 4.1655 4.8345 4.8345 4.8531 4.8531 5.7304 5.7304 5.7456 5.7456 6.2617 6.2617 6.3248 6.3248 6.9708 6.9708 7.0513 7.0513 7.2148 7.2148 7.3261 7.3261 7.5139 7.5139 7.5628 7.5628 8.5373 8.5373 8.7021 8.7021 13.2723 13.2723 13.2767 13.2767 17.3786 17.3786 17.5339 17.5339 k = 0.1628 0.4834 0.6382 ( 2410 PWs) bands (ev): -5.5458 -5.5458 -5.5456 -5.5456 4.1692 4.1692 4.1816 4.1816 4.8137 4.8137 4.8339 4.8339 5.7172 5.7172 5.7314 5.7314 6.2645 6.2645 6.3315 6.3315 6.9712 6.9712 7.0512 7.0512 7.2147 7.2147 7.3237 7.3237 7.5207 7.5207 7.5737 7.5737 8.5751 8.5751 8.7364 8.7364 13.3089 13.3089 13.3125 13.3125 17.4172 17.4172 17.5714 17.5714 k = 0.1576 0.4678 0.6382 ( 2410 PWs) bands (ev): -5.5572 -5.5572 -5.5570 -5.5570 4.1879 4.1879 4.1981 4.1981 4.7904 4.7904 4.8129 4.8129 5.7034 5.7034 5.7170 5.7170 6.2680 6.2680 6.3390 6.3390 6.9717 6.9717 7.0508 7.0508 7.2145 7.2145 7.3217 7.3217 7.5299 7.5299 7.5875 7.5875 8.6134 8.6134 8.7716 8.7716 13.3490 13.3490 13.3519 13.3519 17.4570 17.4570 17.6102 17.6102 k = 0.1523 0.4522 0.6382 ( 2402 PWs) bands (ev): -5.5687 -5.5687 -5.5686 -5.5686 4.2072 4.2072 4.2145 4.2145 4.7651 4.7651 4.7904 4.7904 5.6891 5.6891 5.7023 5.7023 6.2721 6.2721 6.3469 6.3469 6.9725 6.9725 7.0500 7.0500 7.2145 7.2145 7.3199 7.3199 7.5416 7.5416 7.6042 7.6042 8.6518 8.6518 8.8072 8.8072 13.3924 13.3924 13.3944 13.3944 17.4978 17.4978 17.6503 17.6503 k = 0.1471 0.4366 0.6382 ( 2402 PWs) bands (ev): -5.5805 -5.5805 -5.5804 -5.5804 4.2266 4.2266 4.2304 4.2304 4.7384 4.7384 4.7673 4.7673 5.6742 5.6742 5.6874 5.6874 6.2764 6.2764 6.3549 6.3549 6.9733 6.9733 7.0487 7.0487 7.2147 7.2147 7.3184 7.3184 7.5557 7.5557 7.6237 7.6237 8.6902 8.6902 8.8430 8.8430 13.4389 13.4389 13.4400 13.4400 17.5394 17.5394 17.6913 17.6913 k = 0.1418 0.4210 0.6382 ( 2398 PWs) bands (ev): -5.5924 -5.5924 -5.5923 -5.5923 4.2455 4.2455 4.2459 4.2459 4.7108 4.7108 4.7441 4.7441 5.6587 5.6587 5.6721 5.6721 6.2809 6.2809 6.3627 6.3627 6.9741 6.9741 7.0469 7.0469 7.2153 7.2153 7.3173 7.3173 7.5726 7.5726 7.6462 7.6462 8.7285 8.7285 8.8789 8.8789 13.4882 13.4882 13.4885 13.4885 17.5815 17.5815 17.7331 17.7331 k = 0.1366 0.4054 0.6382 ( 2396 PWs) bands (ev): -5.6043 -5.6043 -5.6043 -5.6043 4.2590 4.2590 4.2646 4.2646 4.6832 4.6832 4.7218 4.7218 5.6428 5.6428 5.6565 5.6565 6.2855 6.2855 6.3699 6.3699 6.9749 6.9749 7.0446 7.0446 7.2165 7.2165 7.3164 7.3164 7.5923 7.5923 7.6714 7.6714 8.7665 8.7665 8.9146 8.9146 13.5394 13.5394 13.5400 13.5400 17.6239 17.6239 17.7754 17.7754 k = 0.1313 0.3898 0.6382 ( 2394 PWs) bands (ev): -5.6164 -5.6164 -5.6163 -5.6163 4.2705 4.2705 4.2819 4.2819 4.6564 4.6564 4.7013 4.7013 5.6264 5.6264 5.6405 5.6405 6.2899 6.2899 6.3763 6.3763 6.9755 6.9755 7.0418 7.0418 7.2182 7.2182 7.3159 7.3159 7.6148 7.6148 7.6994 7.6994 8.8042 8.8042 8.9501 8.9501 13.5926 13.5926 13.5941 13.5941 17.6661 17.6661 17.8177 17.8177 k = 0.1261 0.3742 0.6382 ( 2394 PWs) bands (ev): -5.6283 -5.6283 -5.6283 -5.6283 4.2789 4.2789 4.2971 4.2971 4.6316 4.6316 4.6835 4.6835 5.6095 5.6095 5.6242 5.6242 6.2941 6.2941 6.3818 6.3818 6.9759 6.9759 7.0386 7.0386 7.2205 7.2205 7.3157 7.3157 7.6400 7.6400 7.7299 7.7299 8.8414 8.8414 8.9851 8.9851 13.6476 13.6476 13.6501 13.6501 17.7076 17.7076 17.8594 17.8594 k = 0.1208 0.3586 0.6382 ( 2394 PWs) bands (ev): -5.6403 -5.6403 -5.6402 -5.6402 4.2836 4.2836 4.3089 4.3089 4.6103 4.6103 4.6695 4.6695 5.5923 5.5923 5.6077 5.6077 6.2981 6.2981 6.3862 6.3862 6.9760 6.9760 7.0350 7.0350 7.2234 7.2234 7.3157 7.3157 7.6680 7.6680 7.7626 7.7626 8.8783 8.8783 9.0197 9.0197 13.7043 13.7043 13.7077 13.7077 17.7474 17.7474 17.8997 17.8997 k = 0.1155 0.3430 0.6382 ( 2394 PWs) bands (ev): -5.6521 -5.6521 -5.6520 -5.6520 4.2839 4.2839 4.3157 4.3157 4.5940 4.5940 4.6602 4.6602 5.5748 5.5748 5.5908 5.5908 6.3016 6.3016 6.3895 6.3895 6.9758 6.9758 7.0310 7.0310 7.2268 7.2268 7.3159 7.3159 7.6985 7.6985 7.7973 7.7973 8.9149 8.9149 9.0539 9.0539 13.7621 13.7621 13.7665 13.7665 17.7842 17.7842 17.9368 17.9368 k = 0.1103 0.3274 0.6382 ( 2402 PWs) bands (ev): -5.6637 -5.6637 -5.6636 -5.6636 4.2794 4.2794 4.3162 4.3162 4.5844 4.5844 4.6559 4.6559 5.5570 5.5570 5.5737 5.5737 6.3048 6.3048 6.3916 6.3916 6.9753 6.9753 7.0268 7.0268 7.2307 7.2307 7.3163 7.3163 7.7314 7.7314 7.8335 7.8335 8.9511 8.9511 9.0874 9.0874 13.8207 13.8207 13.8261 13.8261 17.8157 17.8157 17.9678 17.9678 k = 0.1050 0.3119 0.6382 ( 2398 PWs) bands (ev): -5.6751 -5.6751 -5.6750 -5.6750 4.2702 4.2702 4.3097 4.3097 4.5824 4.5824 4.6568 4.6568 5.5390 5.5390 5.5564 5.5564 6.3076 6.3076 6.3927 6.3927 6.9744 6.9744 7.0224 7.0224 7.2351 7.2351 7.3169 7.3169 7.7664 7.7664 7.8711 7.8711 8.9870 8.9870 9.1205 9.1205 13.8797 13.8797 13.8860 13.8860 17.8383 17.8383 17.9869 17.9869 k = 0.0998 0.2963 0.6382 ( 2394 PWs) bands (ev): -5.6863 -5.6863 -5.6861 -5.6861 4.2569 4.2569 4.2968 4.2968 4.5875 4.5875 4.6625 4.6625 5.5209 5.5209 5.5389 5.5389 6.3099 6.3099 6.3927 6.3927 6.9732 6.9732 7.0178 7.0178 7.2398 7.2398 7.3176 7.3176 7.8030 7.8030 7.9095 7.9095 9.0228 9.0228 9.1532 9.1532 13.9386 13.9386 13.9459 13.9459 17.8458 17.8458 17.9832 17.9832 k = 0.0945 0.2807 0.6382 ( 2398 PWs) bands (ev): -5.6971 -5.6971 -5.6970 -5.6970 4.2403 4.2403 4.2787 4.2787 4.5985 4.5985 4.6722 4.6722 5.5026 5.5026 5.5213 5.5213 6.3118 6.3118 6.3918 6.3918 6.9718 6.9718 7.0132 7.0132 7.2447 7.2447 7.3183 7.3183 7.8410 7.8410 7.9482 7.9482 9.0583 9.0583 9.1853 9.1853 13.9970 13.9970 14.0052 14.0052 17.8298 17.8298 17.9444 17.9444 k = 0.0893 0.2651 0.6382 ( 2400 PWs) bands (ev): -5.7076 -5.7076 -5.7075 -5.7075 4.2213 4.2213 4.2573 4.2573 4.6137 4.6137 4.6850 4.6850 5.4842 5.4842 5.5035 5.5035 6.3133 6.3133 6.3900 6.3900 6.9701 6.9701 7.0085 7.0085 7.2497 7.2497 7.3191 7.3191 7.8799 7.8799 7.9870 7.9870 9.0938 9.0938 9.2168 9.2168 14.0545 14.0545 14.0636 14.0636 17.7847 17.7847 17.8705 17.8705 k = 0.0840 0.2495 0.6382 ( 2400 PWs) bands (ev): -5.7178 -5.7178 -5.7176 -5.7176 4.2008 4.2008 4.2339 4.2339 4.6319 4.6319 4.7003 4.7003 5.4659 5.4659 5.4858 5.4858 6.3144 6.3144 6.3875 6.3875 6.9683 6.9683 7.0038 7.0038 7.2549 7.2549 7.3200 7.3200 7.9193 7.9193 8.0252 8.0252 9.1292 9.1292 9.2479 9.2479 14.1106 14.1106 14.1204 14.1204 17.7137 17.7137 17.7746 17.7746 k = 0.0788 0.2339 0.6382 ( 2392 PWs) bands (ev): -5.7275 -5.7275 -5.7273 -5.7273 4.1795 4.1795 4.2096 4.2096 4.6519 4.6519 4.7172 4.7172 5.4476 5.4476 5.4680 5.4680 6.3152 6.3152 6.3844 6.3844 6.9663 6.9663 6.9992 6.9992 7.2602 7.2602 7.3209 7.3209 7.9588 7.9588 8.0627 8.0627 9.1644 9.1644 9.2784 9.2784 14.1648 14.1648 14.1753 14.1753 17.6259 17.6259 17.6693 17.6693 k = 0.0735 0.2183 0.6382 ( 2388 PWs) bands (ev): -5.7367 -5.7367 -5.7366 -5.7366 4.1579 4.1579 4.1852 4.1852 4.6732 4.6732 4.7354 4.7354 5.4294 5.4294 5.4503 5.4503 6.3159 6.3159 6.3809 6.3809 6.9643 6.9643 6.9947 6.9947 7.2654 7.2654 7.3217 7.3217 7.9979 7.9979 8.0988 8.0988 9.1996 9.1996 9.3083 9.3083 14.2167 14.2167 14.2278 14.2278 17.5301 17.5301 17.5615 17.5615 k = 0.0683 0.2027 0.6382 ( 2392 PWs) bands (ev): -5.7455 -5.7455 -5.7453 -5.7453 4.1367 4.1367 4.1611 4.1611 4.6952 4.6952 4.7542 4.7542 5.4114 5.4114 5.4326 5.4326 6.3162 6.3162 6.3769 6.3769 6.9623 6.9623 6.9902 6.9902 7.2705 7.2705 7.3224 7.3224 8.0362 8.0362 8.1332 8.1332 9.2345 9.2345 9.3375 9.3375 14.2660 14.2660 14.2775 14.2775 17.4322 17.4322 17.4553 17.4553 k = 0.0630 0.1871 0.6382 ( 2392 PWs) bands (ev): -5.7537 -5.7537 -5.7536 -5.7536 4.1160 4.1160 4.1379 4.1379 4.7175 4.7175 4.7734 4.7734 5.3937 5.3937 5.4151 5.4151 6.3164 6.3164 6.3726 6.3726 6.9603 6.9603 6.9859 6.9859 7.2755 7.2755 7.3232 7.3232 8.0734 8.0734 8.1656 8.1656 9.2690 9.2690 9.3659 9.3659 14.3121 14.3121 14.3240 14.3240 17.3357 17.3357 17.3528 17.3528 k = 0.0578 0.1715 0.6382 ( 2392 PWs) bands (ev): -5.7614 -5.7614 -5.7613 -5.7613 4.0963 4.0963 4.1158 4.1158 4.7398 4.7398 4.7925 4.7925 5.3763 5.3763 5.3979 5.3979 6.3165 6.3165 6.3682 6.3682 6.9584 6.9584 6.9817 6.9817 7.2804 7.2804 7.3238 7.3238 8.1089 8.1089 8.1958 8.1958 9.3030 9.3030 9.3932 9.3932 14.3549 14.3549 14.3668 14.3668 17.2430 17.2430 17.2557 17.2557 k = 0.0525 0.1559 0.6382 ( 2400 PWs) bands (ev): -5.7685 -5.7685 -5.7684 -5.7684 4.0778 4.0778 4.0950 4.0950 4.7617 4.7617 4.8114 4.8114 5.3594 5.3594 5.3809 5.3809 6.3166 6.3166 6.3637 6.3637 6.9566 6.9566 6.9777 6.9777 7.2851 7.2851 7.3243 7.3243 8.1427 8.1427 8.2234 8.2234 9.3361 9.3361 9.4192 9.4192 14.3939 14.3939 14.4058 14.4058 17.1557 17.1557 17.1650 17.1650 k = 0.0473 0.1403 0.6382 ( 2396 PWs) bands (ev): -5.7751 -5.7751 -5.7749 -5.7749 4.0606 4.0606 4.0758 4.0758 4.7833 4.7833 4.8296 4.8296 5.3431 5.3431 5.3643 5.3643 6.3168 6.3168 6.3591 6.3591 6.9550 6.9550 6.9740 6.9740 7.2896 7.2896 7.3247 7.3247 8.1743 8.1743 8.2484 8.2484 9.3682 9.3682 9.4439 9.4439 14.4291 14.4291 14.4407 14.4407 17.0749 17.0749 17.0816 17.0816 k = 0.0420 0.1247 0.6382 ( 2392 PWs) bands (ev): -5.7809 -5.7809 -5.7808 -5.7808 4.0450 4.0450 4.0582 4.0582 4.8041 4.8041 4.8470 4.8470 5.3276 5.3276 5.3483 5.3483 6.3170 6.3170 6.3547 6.3547 6.9536 6.9536 6.9704 6.9704 7.2940 7.2940 7.3249 7.3249 8.2035 8.2035 8.2704 8.2704 9.3988 9.3988 9.4667 9.4667 14.4603 14.4603 14.4714 14.4714 17.0013 17.0013 17.0060 17.0060 k = 0.0368 0.1091 0.6382 ( 2392 PWs) bands (ev): -5.7862 -5.7862 -5.7861 -5.7861 4.0310 4.0310 4.0424 4.0424 4.8240 4.8240 4.8632 4.8632 5.3131 5.3131 5.3330 5.3330 6.3173 6.3173 6.3503 6.3503 6.9524 6.9524 6.9671 6.9671 7.2980 7.2980 7.3250 7.3250 8.2302 8.2302 8.2895 8.2895 9.4275 9.4275 9.4874 9.4874 14.4874 14.4874 14.4977 14.4977 16.9357 16.9357 16.9389 16.9389 k = 0.0315 0.0936 0.6382 ( 2404 PWs) bands (ev): -5.7908 -5.7908 -5.7907 -5.7907 4.0188 4.0188 4.0284 4.0284 4.8428 4.8428 4.8778 4.8778 5.2997 5.2997 5.3184 5.3184 6.3178 6.3178 6.3461 6.3461 6.9514 6.9514 6.9641 6.9641 7.3017 7.3017 7.3247 7.3247 8.2541 8.2541 8.3054 8.3054 9.4540 9.4540 9.5057 9.5057 14.5105 14.5105 14.5199 14.5199 16.8784 16.8784 16.8805 16.8805 k = 0.0263 0.0780 0.6382 ( 2404 PWs) bands (ev): -5.7947 -5.7947 -5.7946 -5.7946 4.0085 4.0085 4.0163 4.0163 4.8601 4.8601 4.8906 4.8906 5.2880 5.2880 5.3049 5.3049 6.3186 6.3186 6.3421 6.3421 6.9508 6.9508 6.9613 6.9613 7.3053 7.3053 7.3243 7.3243 8.2751 8.2751 8.3183 8.3183 9.4779 9.4779 9.5212 9.5212 14.5297 14.5297 14.5379 14.5379 16.8297 16.8297 16.8309 16.8309 k = 0.0210 0.0624 0.6382 ( 2404 PWs) bands (ev): -5.7979 -5.7979 -5.7978 -5.7978 4.0001 4.0001 4.0063 4.0063 4.8757 4.8757 4.9011 4.9011 5.2782 5.2782 5.2928 5.2928 6.3195 6.3195 6.3383 6.3383 6.9504 6.9504 6.9588 6.9588 7.3085 7.3085 7.3237 7.3237 8.2933 8.2933 8.3280 8.3280 9.4989 9.4989 9.5336 9.5336 14.5452 14.5452 14.5521 14.5521 16.7898 16.7898 16.7904 16.7904 k = 0.0158 0.0468 0.6382 ( 2404 PWs) bands (ev): -5.8004 -5.8004 -5.8003 -5.8003 3.9936 3.9936 3.9982 3.9982 4.8892 4.8892 4.9090 4.9090 5.2706 5.2706 5.2822 5.2822 6.3208 6.3208 6.3348 6.3348 6.9503 6.9503 6.9567 6.9567 7.3114 7.3114 7.3228 7.3228 8.3085 8.3085 8.3347 8.3347 9.5165 9.5165 9.5426 9.5426 14.5572 14.5572 14.5625 14.5625 16.7587 16.7587 16.7590 16.7590 k = 0.0105 0.0312 0.6382 ( 2400 PWs) bands (ev): -5.8022 -5.8022 -5.8021 -5.8021 3.9892 3.9892 3.9923 3.9923 4.9003 4.9003 4.9139 4.9139 5.2655 5.2655 5.2737 5.2737 6.3223 6.3223 6.3317 6.3317 6.9506 6.9506 6.9549 6.9549 7.3141 7.3141 7.3217 7.3217 8.3206 8.3206 8.3381 8.3381 9.5306 9.5306 9.5480 9.5480 14.5659 14.5659 14.5695 14.5695 16.7365 16.7365 16.7366 16.7366 k = 0.0053 0.0156 0.6382 ( 2404 PWs) bands (ev): -5.8032 -5.8032 -5.8032 -5.8032 3.9868 3.9868 3.9884 3.9884 4.9085 4.9085 4.9154 4.9154 5.2633 5.2633 5.2675 5.2675 6.3241 6.3241 6.3288 6.3288 6.9512 6.9512 6.9533 6.9533 7.3164 7.3164 7.3202 7.3202 8.3297 8.3297 8.3384 8.3384 9.5408 9.5408 9.5496 9.5496 14.5714 14.5714 14.5732 14.5732 16.7232 16.7232 16.7232 16.7232 k = 0.0000 0.0000 0.6382 ( 2404 PWs) bands (ev): -5.8036 -5.8036 -5.8036 -5.8036 3.9866 3.9866 3.9866 3.9866 4.9136 4.9136 4.9136 4.9136 5.2640 5.2640 5.2640 5.2640 6.3263 6.3263 6.3263 6.3263 6.9521 6.9521 6.9521 6.9521 7.3185 7.3185 7.3185 7.3185 8.3356 8.3356 8.3356 8.3356 9.5472 9.5472 9.5472 9.5472 14.5738 14.5738 14.5738 14.5738 16.7187 16.7187 16.7187 16.7187 k = 0.0000 0.0000 0.6382 ( 2404 PWs) bands (ev): -5.8036 -5.8036 -5.8036 -5.8036 3.9866 3.9866 3.9866 3.9866 4.9136 4.9136 4.9136 4.9136 5.2640 5.2640 5.2640 5.2640 6.3263 6.3263 6.3263 6.3263 6.9521 6.9521 6.9521 6.9521 7.3185 7.3185 7.3185 7.3185 8.3356 8.3356 8.3356 8.3356 9.5472 9.5472 9.5472 9.5472 14.5738 14.5738 14.5738 14.5738 16.7187 16.7187 16.7187 16.7187 k = 0.0000 0.0000 0.6218 ( 2400 PWs) bands (ev): -5.8262 -5.8262 -5.7815 -5.7815 3.9698 3.9698 4.0057 4.0057 4.8903 4.8903 4.9385 4.9385 5.2579 5.2579 5.2721 5.2721 6.3222 6.3222 6.3303 6.3303 6.9424 6.9424 6.9620 6.9620 7.3142 7.3142 7.3224 7.3224 8.3260 8.3260 8.3438 8.3438 9.5408 9.5408 9.5497 9.5497 14.4795 14.4795 14.6615 14.6615 16.6469 16.6469 16.7938 16.7938 k = 0.0000 0.0000 0.6055 ( 2404 PWs) bands (ev): -5.8492 -5.8492 -5.7599 -5.7599 3.9558 3.9558 4.0270 4.0270 4.8688 4.8688 4.9644 4.9644 5.2538 5.2538 5.2823 5.2823 6.3178 6.3178 6.3340 6.3340 6.9329 6.9329 6.9719 6.9719 7.3095 7.3095 7.3258 7.3258 8.3147 8.3147 8.3504 8.3504 9.5306 9.5306 9.5481 9.5481 14.3795 14.3795 14.7410 14.7410 16.5798 16.5798 16.8714 16.8714 k = 0.0000 0.0000 0.5891 ( 2404 PWs) bands (ev): -5.8725 -5.8725 -5.7389 -5.7389 3.9448 3.9448 4.0498 4.0498 4.8497 4.8497 4.9912 4.9912 5.2518 5.2518 5.2944 5.2944 6.3134 6.3134 6.3374 6.3374 6.9237 6.9237 6.9820 6.9820 7.3045 7.3045 7.3288 7.3288 8.3019 8.3019 8.3555 8.3555 9.5169 9.5169 9.5424 9.5424 14.2748 14.2748 14.8105 14.8105 16.5189 16.5189 16.9509 16.9509 k = 0.0000 0.0000 0.5728 ( 2408 PWs) bands (ev): -5.8962 -5.8962 -5.7185 -5.7185 3.9369 3.9369 4.0736 4.0736 4.8335 4.8335 5.0187 5.0187 5.2518 5.2518 5.3085 5.3085 6.3089 6.3089 6.3404 6.3404 6.9149 6.9149 6.9922 6.9922 7.2992 7.2992 7.3312 7.3312 8.2876 8.2876 8.3592 8.3592 9.4997 9.4997 9.5326 9.5326 14.1661 14.1661 14.8677 14.8677 16.4666 16.4666 17.0318 17.0318 k = 0.0000 0.0000 0.5564 ( 2404 PWs) bands (ev): -5.9201 -5.9201 -5.6987 -5.6987 3.9323 3.9323 4.0976 4.0976 4.8209 4.8209 5.0465 5.0465 5.2540 5.2540 5.3246 5.3246 6.3044 6.3044 6.3429 6.3429 6.9065 6.9065 7.0024 7.0024 7.2937 7.2937 7.3330 7.3330 8.2717 8.2717 8.3615 8.3615 9.4792 9.4792 9.5187 9.5187 14.0537 14.0537 14.9099 14.9099 16.4253 16.4253 17.1139 17.1139 k = 0.0000 0.0000 0.5400 ( 2400 PWs) bands (ev): -5.9442 -5.9442 -5.6796 -5.6796 3.9311 3.9311 4.1210 4.1210 4.8128 4.8128 5.0746 5.0746 5.2582 5.2582 5.3427 5.3427 6.2999 6.2999 6.3448 6.3448 6.8987 6.8987 7.0126 7.0126 7.2880 7.2880 7.3342 7.3342 8.2542 8.2542 8.3624 8.3624 9.4557 9.4557 9.5005 9.5005 13.9382 13.9382 14.9345 14.9345 16.3978 16.3978 17.1971 17.1971 k = 0.0000 0.0000 0.5237 ( 2392 PWs) bands (ev): -5.9685 -5.9685 -5.6612 -5.6612 3.9333 3.9333 4.1429 4.1429 4.8101 4.8101 5.1027 5.1027 5.2647 5.2647 5.3627 5.3627 6.2956 6.2956 6.3462 6.3462 6.8915 6.8915 7.0229 7.0229 7.2820 7.2820 7.3347 7.3347 8.2351 8.2351 8.3620 8.3620 9.4294 9.4294 9.4784 9.4784 13.8198 13.8198 14.9394 14.9394 16.3861 16.3861 17.2813 17.2813 k = 0.0000 0.0000 0.5073 ( 2388 PWs) bands (ev): -5.9928 -5.9928 -5.6435 -5.6435 3.9390 3.9390 4.1621 4.1621 4.8138 4.8138 5.1306 5.1306 5.2734 5.2734 5.3846 5.3846 6.2911 6.2911 6.3467 6.3467 6.8850 6.8850 7.0331 7.0331 7.2759 7.2759 7.3345 7.3345 8.2145 8.2145 8.3602 8.3602 9.4006 9.4006 9.4522 9.4522 13.6989 13.6989 14.9238 14.9238 16.3914 16.3914 17.3665 17.3665 k = 0.0000 0.0000 0.4909 ( 2396 PWs) bands (ev): -6.0171 -6.0171 -5.6266 -5.6266 3.9482 3.9482 4.1777 4.1777 4.8247 4.8247 5.1582 5.1582 5.2844 5.2844 5.4083 5.4083 6.2868 6.2868 6.3464 6.3464 6.8792 6.8792 7.0433 7.0433 7.2695 7.2695 7.3334 7.3334 8.1922 8.1922 8.3572 8.3572 9.3694 9.3694 9.4222 9.4222 13.5756 13.5756 14.8881 14.8881 16.4132 16.4132 17.4526 17.4526 k = 0.0000 0.0000 0.4746 ( 2400 PWs) bands (ev): -6.0414 -6.0414 -5.6105 -5.6105 3.9608 3.9608 4.1892 4.1892 4.8433 4.8433 5.1854 5.1854 5.2978 5.2978 5.4339 5.4339 6.2825 6.2825 6.3452 6.3452 6.8742 6.8742 7.0535 7.0535 7.2631 7.2631 7.3316 7.3316 8.1684 8.1684 8.3528 8.3528 9.3362 9.3362 9.3885 9.3885 13.4501 13.4501 14.8342 14.8342 16.4499 16.4499 17.5396 17.5396 k = 0.0000 0.0000 0.4582 ( 2400 PWs) bands (ev): -6.0655 -6.0655 -5.5951 -5.5951 3.9769 3.9769 4.1960 4.1960 4.8701 4.8701 5.2118 5.2118 5.3136 5.3136 5.4613 5.4613 6.2783 6.2783 6.3431 6.3431 6.8702 6.8702 7.0638 7.0638 7.2565 7.2565 7.3290 7.3290 8.1430 8.1430 8.3473 8.3473 9.3011 9.3011 9.3513 9.3513 13.3228 13.3228 14.7649 14.7649 16.4992 16.4992 17.6275 17.6275 k = 0.0000 0.0000 0.4418 ( 2405 PWs) bands (ev): -6.0894 -6.0894 -5.5805 -5.5805 3.9963 3.9963 4.1983 4.1983 4.9046 4.9046 5.2376 5.2376 5.3319 5.3319 5.4903 5.4903 6.2742 6.2742 6.3401 6.3401 6.8671 6.8671 7.0740 7.0740 7.2498 7.2498 7.3256 7.3256 8.1161 8.1161 8.3406 8.3406 9.2642 9.2642 9.3111 9.3111 13.1937 13.1937 14.6829 14.6829 16.5584 16.5584 17.7162 17.7162 k = 0.0000 0.0000 0.4255 ( 2405 PWs) bands (ev): -6.1131 -6.1131 -5.5667 -5.5667 4.0190 4.0190 4.1964 4.1964 4.9465 4.9465 5.2627 5.2627 5.3526 5.3526 5.5211 5.5211 6.2702 6.2702 6.3361 6.3361 6.8648 6.8648 7.0842 7.0842 7.2429 7.2429 7.3215 7.3215 8.0878 8.0878 8.3329 8.3329 9.2257 9.2257 9.2682 9.2682 13.0632 13.0632 14.5910 14.5910 16.6252 16.6252 17.8056 17.8056 k = 0.0000 0.0000 0.4091 ( 2403 PWs) bands (ev): -6.1365 -6.1365 -5.5537 -5.5537 4.0449 4.0449 4.1911 4.1911 4.9949 4.9949 5.2874 5.2874 5.3755 5.3755 5.5534 5.5534 6.2663 6.2663 6.3313 6.3313 6.8635 6.8635 7.0942 7.0942 7.2359 7.2359 7.3166 7.3166 8.0580 8.0580 8.3241 8.3241 9.1851 9.1851 9.2235 9.2235 12.9315 12.9315 14.4916 14.4916 16.6974 16.6974 17.8956 17.8956 k = 0.0000 0.0000 0.3927 ( 2405 PWs) bands (ev): -6.1595 -6.1595 -5.5414 -5.5414 4.0739 4.0739 4.1828 4.1828 5.0489 5.0489 5.3118 5.3118 5.4002 5.4002 5.5873 5.5873 6.2625 6.2625 6.3257 6.3257 6.8630 6.8630 7.1038 7.1038 7.2288 7.2288 7.3113 7.3113 8.0268 8.0268 8.3143 8.3143 9.1418 9.1418 9.1782 9.1782 12.7987 12.7987 14.3867 14.3867 16.7733 16.7733 17.9859 17.9859 k = 0.0000 0.0000 0.3764 ( 2405 PWs) bands (ev): -6.1820 -6.1820 -5.5299 -5.5299 4.1057 4.1057 4.1724 4.1724 5.1075 5.1075 5.3363 5.3363 5.4265 5.4265 5.6226 5.6226 6.2588 6.2588 6.3195 6.3195 6.8633 6.8633 7.1128 7.1128 7.2215 7.2215 7.3056 7.3056 7.9943 7.9943 8.3036 8.3036 9.0945 9.0945 9.1340 9.1340 12.6652 12.6652 14.2780 14.2780 16.8515 16.8515 18.0761 18.0761 k = 0.0000 0.0000 0.3600 ( 2405 PWs) bands (ev): -6.2041 -6.2041 -5.5192 -5.5192 4.1397 4.1397 4.1610 4.1610 5.1698 5.1698 5.3612 5.3612 5.4541 5.4541 5.6593 5.6593 6.2550 6.2550 6.3128 6.3128 6.8643 6.8643 7.1207 7.1207 7.2142 7.2142 7.2999 7.2999 7.9606 7.9606 8.2920 8.2920 9.0430 9.0430 9.0919 9.0919 12.5312 12.5312 14.1669 14.1669 16.9307 16.9307 18.1657 18.1657 k = 0.0000 0.0000 0.3437 ( 2415 PWs) bands (ev): -6.2256 -6.2256 -5.5092 -5.5092 4.1458 4.1458 4.1788 4.1788 5.2346 5.2346 5.3869 5.3869 5.4829 5.4829 5.6974 5.6974 6.2511 6.2511 6.3060 6.3060 6.8659 6.8659 7.1267 7.1267 7.2071 7.2071 7.2944 7.2944 7.9257 7.9257 8.2796 8.2796 8.9878 8.9878 9.0517 9.0517 12.3970 12.3970 14.0547 14.0547 17.0099 17.0099 18.2532 18.2532 k = 0.0000 0.0000 0.3273 ( 2421 PWs) bands (ev): -6.2465 -6.2465 -5.4999 -5.4999 4.1321 4.1321 4.2181 4.2181 5.3006 5.3006 5.4138 5.4138 5.5130 5.5130 5.7367 5.7367 6.2469 6.2469 6.2996 6.2996 6.8680 6.8680 7.1295 7.1295 7.2011 7.2011 7.2900 7.2900 7.8897 7.8897 8.2664 8.2664 8.9299 8.9299 9.0130 9.0130 12.2629 12.2629 13.9424 13.9424 17.0883 17.0883 18.3345 18.3345 k = 0.0000 0.0000 0.3109 ( 2425 PWs) bands (ev): -6.2667 -6.2667 -5.4914 -5.4914 4.1176 4.1176 4.2599 4.2599 5.3653 5.3653 5.4432 5.4432 5.5446 5.5446 5.7773 5.7773 6.2419 6.2419 6.2941 6.2941 6.8705 6.8705 7.1277 7.1277 7.1969 7.1969 7.2871 7.2871 7.8528 7.8528 8.2526 8.2526 8.8699 8.8699 8.9758 8.9758 12.1292 12.1292 13.8309 13.8309 17.1652 17.1652 18.3960 18.3960 k = 0.0000 0.0000 0.2946 ( 2423 PWs) bands (ev): -6.2862 -6.2862 -5.4834 -5.4834 4.1030 4.1030 4.3036 4.3036 5.4236 5.4236 5.4785 5.4785 5.5787 5.5787 5.8190 5.8190 6.2359 6.2359 6.2902 6.2902 6.8734 6.8734 7.1205 7.1205 7.1947 7.1947 7.2864 7.2864 7.8151 7.8151 8.2383 8.2383 8.8085 8.8085 8.9399 8.9399 11.9964 11.9964 13.7210 13.7210 17.2398 17.2398 18.4318 18.4318 k = 0.0000 0.0000 0.2782 ( 2427 PWs) bands (ev): -6.3049 -6.3049 -5.4762 -5.4762 4.0883 4.0883 4.3490 4.3490 5.4682 5.4682 5.5240 5.5240 5.6170 5.6170 5.8619 5.8619 6.2284 6.2284 6.2886 6.2886 6.8765 6.8765 7.1081 7.1081 7.1937 7.1937 7.2883 7.2883 7.7768 7.7768 8.2235 8.2235 8.7459 8.7459 8.9055 8.9055 11.8648 11.8648 13.6134 13.6134 17.3116 17.3116 18.4609 18.4609 k = 0.0000 0.0000 0.2618 ( 2435 PWs) bands (ev): -6.3229 -6.3229 -5.4695 -5.4695 4.0739 4.0739 4.3957 4.3957 5.5023 5.5023 5.5728 5.5728 5.6622 5.6622 5.9060 5.9060 6.2195 6.2195 6.2898 6.2898 6.8798 6.8798 7.0915 7.0915 7.1927 7.1927 7.2930 7.2930 7.7382 7.7382 8.2084 8.2084 8.6827 8.6827 8.8725 8.8725 11.7349 11.7349 13.5089 13.5089 17.3803 17.3803 18.4911 18.4911 k = 0.0000 0.0000 0.2455 ( 2431 PWs) bands (ev): -6.3399 -6.3399 -5.4634 -5.4634 4.0598 4.0598 4.4433 4.4433 5.5325 5.5325 5.6163 5.6163 5.7149 5.7149 5.9515 5.9515 6.2094 6.2094 6.2939 6.2939 6.8832 6.8832 7.0716 7.0716 7.1910 7.1910 7.3003 7.3003 7.6995 7.6995 8.1930 8.1930 8.6192 8.6192 8.8413 8.8413 11.6070 11.6070 13.4079 13.4079 17.4455 17.4455 18.5238 18.5238 k = 0.0000 0.0000 0.2291 ( 2429 PWs) bands (ev): -6.3561 -6.3561 -5.4579 -5.4579 4.0463 4.0463 4.4915 4.4915 5.5615 5.5615 5.6539 5.6539 5.7715 5.7715 5.9985 5.9985 6.1983 6.1983 6.3012 6.3012 6.8866 6.8866 7.0491 7.0491 7.1884 7.1884 7.3097 7.3097 7.6610 7.6610 8.1773 8.1773 8.5559 8.5559 8.8119 8.8119 11.4818 11.4818 13.3110 13.3110 17.5071 17.5071 18.5587 18.5587 k = 0.0000 0.0000 0.2127 ( 2429 PWs) bands (ev): -6.3713 -6.3713 -5.4529 -5.4529 4.0333 4.0333 4.5398 4.5398 5.5898 5.5898 5.6879 5.6879 5.8274 5.8274 6.0470 6.0470 6.1867 6.1867 6.3121 6.3121 6.8901 6.8901 7.0245 7.0245 7.1849 7.1849 7.3205 7.3205 7.6232 7.6232 8.1616 8.1616 8.4931 8.4931 8.7843 8.7843 11.3598 11.3598 13.2188 13.2188 17.5648 17.5648 18.5953 18.5953 k = 0.0000 0.0000 0.1964 ( 2429 PWs) bands (ev): -6.3856 -6.3856 -5.4485 -5.4485 4.0211 4.0211 4.5878 4.5878 5.6179 5.6179 5.7197 5.7197 5.8791 5.8791 6.0964 6.0964 6.1752 6.1752 6.3270 6.3270 6.8935 6.8935 6.9983 6.9983 7.1806 7.1806 7.3320 7.3320 7.5867 7.5867 8.1459 8.1459 8.4314 8.4314 8.7585 8.7585 11.2416 11.2416 13.1316 13.1316 17.6188 17.6188 18.6326 18.6326 k = 0.0000 0.0000 0.1800 ( 2429 PWs) bands (ev): -6.3988 -6.3988 -5.4445 -5.4445 4.0096 4.0096 4.6351 4.6351 5.6457 5.6457 5.7499 5.7499 5.9250 5.9250 6.1402 6.1402 6.1698 6.1698 6.3462 6.3462 6.8967 6.8967 6.9714 6.9714 7.1755 7.1755 7.3435 7.3435 7.5523 7.5523 8.1302 8.1302 8.3712 8.3712 8.7348 8.7348 11.1279 11.1279 13.0499 13.0499 17.6689 17.6689 18.6698 18.6698 k = 0.0000 0.0000 0.1636 ( 2429 PWs) bands (ev): -6.4110 -6.4110 -5.4409 -5.4409 3.9990 3.9990 4.6810 4.6810 5.6732 5.6732 5.7786 5.7786 5.9644 5.9644 6.1428 6.1428 6.2051 6.2051 6.3701 6.3701 6.8985 6.8985 6.9451 6.9451 7.1695 7.1695 7.3537 7.3537 7.5211 7.5211 8.1147 8.1147 8.3130 8.3130 8.7131 8.7131 11.0194 11.0194 12.9741 12.9741 17.7152 17.7152 18.7058 18.7058 k = 0.0000 0.0000 0.1473 ( 2425 PWs) bands (ev): -6.4222 -6.4222 -5.4378 -5.4378 3.9892 3.9892 4.7250 4.7250 5.7006 5.7006 5.8056 5.8056 5.9972 5.9972 6.1314 6.1314 6.2523 6.2523 6.3986 6.3986 6.8937 6.8937 6.9257 6.9257 7.1627 7.1627 7.3610 7.3610 7.4954 7.4954 8.0993 8.0993 8.2577 8.2577 8.6934 8.6934 10.9170 10.9170 12.9044 12.9044 17.7578 17.7578 18.7399 18.7399 k = 0.0000 0.0000 0.1309 ( 2423 PWs) bands (ev): -6.4322 -6.4322 -5.4350 -5.4350 3.9803 3.9803 4.7665 4.7665 5.7279 5.7279 5.8306 5.8306 6.0235 6.0235 6.1201 6.1201 6.2963 6.2963 6.4312 6.4312 6.8741 6.8741 6.9220 6.9220 7.1548 7.1548 7.3623 7.3623 7.4780 7.4780 8.0840 8.0840 8.2058 8.2058 8.6757 8.6757 10.8215 10.8215 12.8413 12.8413 17.7965 17.7965 18.7712 18.7712 k = 0.0000 0.0000 0.1146 ( 2415 PWs) bands (ev): -6.4411 -6.4411 -5.4327 -5.4327 3.9725 3.9725 4.8050 4.8050 5.7551 5.7551 5.8531 5.8531 6.0414 6.0414 6.1124 6.1124 6.3349 6.3349 6.4668 6.4668 6.8484 6.8484 6.9261 6.9261 7.1458 7.1458 7.3559 7.3559 7.4711 7.4711 8.0686 8.0686 8.1586 8.1586 8.6602 8.6602 10.7338 10.7338 12.7850 12.7850 17.8313 17.8313 18.7993 18.7993 k = 0.0000 0.0000 0.0982 ( 2411 PWs) bands (ev): -6.4488 -6.4488 -5.4307 -5.4307 3.9656 3.9656 4.8399 4.8399 5.7820 5.7820 5.8728 5.8728 6.0465 6.0465 6.1139 6.1139 6.3675 6.3675 6.5029 6.5029 6.8231 6.8231 6.9326 6.9326 7.1355 7.1355 7.3433 7.3433 7.4733 7.4733 8.0523 8.0523 8.1176 8.1176 8.6466 8.6466 10.6551 10.6551 12.7356 12.7356 17.8620 17.8620 18.8236 18.8236 k = 0.0000 0.0000 0.0818 ( 2415 PWs) bands (ev): -6.4554 -6.4554 -5.4290 -5.4290 3.9597 3.9597 4.8705 4.8705 5.8089 5.8089 5.8895 5.8895 6.0386 6.0386 6.1249 6.1249 6.3942 6.3942 6.5367 6.5367 6.8002 6.8002 6.9405 6.9405 7.1239 7.1239 7.3284 7.3284 7.4805 7.4805 8.0336 8.0336 8.0853 8.0853 8.6352 8.6352 10.5862 10.5862 12.6936 12.6936 17.8886 17.8886 18.8441 18.8441 k = 0.0000 0.0000 0.0655 ( 2409 PWs) bands (ev): -6.4609 -6.4609 -5.4277 -5.4277 3.9549 3.9549 4.8963 4.8963 5.8355 5.8355 5.9029 5.9029 6.0239 6.0239 6.1398 6.1398 6.4155 6.4155 6.5654 6.5654 6.7818 6.7818 6.9494 6.9494 7.1114 7.1114 7.3144 7.3144 7.4895 7.4895 8.0120 8.0120 8.0633 8.0633 8.6258 8.6258 10.5281 10.5281 12.6589 12.6589 17.9107 17.9107 18.8606 18.8606 k = 0.0000 0.0000 0.0491 ( 2409 PWs) bands (ev): -6.4651 -6.4651 -5.4266 -5.4266 3.9511 3.9511 4.9170 4.9170 5.8617 5.8617 5.9132 5.9132 6.0055 6.0055 6.1542 6.1542 6.4315 6.4315 6.5869 6.5869 6.7690 6.7690 6.9585 6.9585 7.0985 7.0985 7.3026 7.3026 7.4983 7.4983 7.9905 7.9905 8.0494 8.0494 8.6185 8.6185 10.4818 10.4818 12.6318 12.6318 17.9282 17.9282 18.8732 18.8732 k = 0.0000 0.0000 0.0327 ( 2405 PWs) bands (ev): -6.4681 -6.4681 -5.4259 -5.4259 3.9484 3.9484 4.9320 4.9320 5.8874 5.8874 5.9204 5.9204 5.9852 5.9852 6.1660 6.1660 6.4427 6.4427 6.6001 6.6001 6.7623 6.7623 6.9670 6.9670 7.0868 7.0868 7.2940 7.2940 7.5056 7.5056 7.9732 7.9732 8.0406 8.0406 8.6132 8.6132 10.4481 10.4481 12.6123 12.6123 17.9409 17.9409 18.8820 18.8820 k = 0.0000 0.0000 0.0164 ( 2403 PWs) bands (ev): -6.4699 -6.4699 -5.4255 -5.4255 3.9468 3.9468 4.9411 4.9411 5.9116 5.9116 5.9251 5.9251 5.9636 5.9636 6.1738 6.1738 6.4493 6.4493 6.6065 6.6065 6.7600 6.7600 6.9734 6.9734 7.0780 7.0780 7.2888 7.2888 7.5104 7.5104 7.9621 7.9621 8.0357 8.0357 8.6101 8.6101 10.4277 10.4277 12.6006 12.6006 17.9486 17.9486 18.8872 18.8872 k = 0.0000 0.0000 0.0000 ( 2399 PWs) bands (ev): -6.4705 -6.4705 -5.4253 -5.4253 3.9462 3.9462 4.9442 4.9442 5.9237 5.9237 5.9319 5.9319 5.9472 5.9472 6.1765 6.1765 6.4515 6.4515 6.6083 6.6083 6.7597 6.7597 6.9759 6.9759 7.0747 7.0747 7.2870 7.2870 7.5122 7.5122 7.9583 7.9583 8.0341 8.0341 8.6091 8.6091 10.4208 10.4208 12.5967 12.5967 17.9512 17.9512 18.8890 18.8890 k = 0.0000 0.0000 0.0000 ( 2399 PWs) bands (ev): -6.4705 -6.4705 -5.4253 -5.4253 3.9462 3.9462 4.9442 4.9442 5.9237 5.9237 5.9319 5.9319 5.9472 5.9472 6.1765 6.1765 6.4515 6.4515 6.6083 6.6083 6.7597 6.7597 6.9759 6.9759 7.0747 7.0747 7.2870 7.2870 7.5122 7.5122 7.9583 7.9583 8.0341 8.0341 8.6091 8.6091 10.4208 10.4208 12.5967 12.5967 17.9512 17.9512 18.8890 18.8890 k =-0.0156 0.0053 0.0000 ( 2403 PWs) bands (ev): -6.4699 -6.4699 -5.4259 -5.4259 3.9457 3.9457 4.9444 4.9444 5.9232 5.9232 5.9312 5.9312 5.9472 5.9472 6.1764 6.1764 6.4523 6.4523 6.6074 6.6074 6.7594 6.7594 6.9763 6.9763 7.0746 7.0746 7.2577 7.2577 7.5414 7.5414 7.9573 7.9573 8.0346 8.0346 8.6083 8.6083 10.4259 10.4259 12.5991 12.5991 17.9494 17.9494 18.8891 18.8891 k =-0.0312 0.0105 0.0000 ( 2401 PWs) bands (ev): -6.4680 -6.4680 -5.4275 -5.4275 3.9441 3.9441 4.9452 4.9452 5.9214 5.9214 5.9293 5.9293 5.9472 5.9472 6.1761 6.1761 6.4546 6.4546 6.6047 6.6047 6.7587 6.7587 6.9765 6.9765 7.0738 7.0738 7.1963 7.1963 7.6040 7.6040 7.9543 7.9543 8.0363 8.0363 8.6060 8.6060 10.4413 10.4413 12.6062 12.6062 17.9440 17.9440 18.8896 18.8896 k =-0.0469 0.0158 0.0000 ( 2399 PWs) bands (ev): -6.4649 -6.4649 -5.4301 -5.4301 3.9415 3.9415 4.9464 4.9464 5.9180 5.9180 5.9261 5.9261 5.9474 5.9474 6.1759 6.1759 6.4581 6.4581 6.5998 6.5998 6.7576 6.7576 6.9719 6.9719 7.0704 7.0704 7.1350 7.1350 7.6753 7.6753 7.9489 7.9489 8.0396 8.0396 8.6021 8.6021 10.4670 10.4670 12.6180 12.6180 17.9354 17.9354 18.8903 18.8903 k =-0.0625 0.0211 0.0000 ( 2407 PWs) bands (ev): -6.4606 -6.4606 -5.4339 -5.4339 3.9380 3.9380 4.9481 4.9481 5.9121 5.9121 5.9217 5.9217 5.9479 5.9479 6.1761 6.1761 6.4625 6.4625 6.5922 6.5922 6.7559 6.7559 6.9490 6.9490 7.0594 7.0594 7.1013 7.1013 7.7467 7.7467 7.9408 7.9408 8.0449 8.0449 8.5967 8.5967 10.5029 10.5029 12.6345 12.6345 17.9238 17.9238 18.8911 18.8911 k =-0.0781 0.0263 0.0000 ( 2407 PWs) bands (ev): -6.4550 -6.4550 -5.4387 -5.4387 3.9338 3.9338 4.9503 4.9503 5.9033 5.9033 5.9162 5.9162 5.9489 5.9489 6.1771 6.1771 6.4668 6.4668 6.5809 6.5809 6.7538 6.7538 6.8999 6.8999 7.0543 7.0543 7.0952 7.0952 7.8147 7.8147 7.9298 7.9298 8.0524 8.0524 8.5898 8.5898 10.5490 10.5490 12.6557 12.6557 17.9097 17.9097 18.8916 18.8916 k =-0.0938 0.0316 0.0000 ( 2409 PWs) bands (ev): -6.4483 -6.4483 -5.4445 -5.4445 3.9289 3.9289 4.9529 4.9529 5.8905 5.8905 5.9096 5.9096 5.9501 5.9501 6.1791 6.1791 6.4691 6.4691 6.5655 6.5655 6.7509 6.7509 6.8426 6.8426 7.0607 7.0607 7.0977 7.0977 7.8776 7.8776 7.9158 7.9158 8.0625 8.0625 8.5815 8.5815 10.6053 10.6053 12.6813 12.6813 17.8933 17.8933 18.8915 18.8915 k =-0.1094 0.0368 0.0000 ( 2402 PWs) bands (ev): -6.4403 -6.4403 -5.4514 -5.4514 3.9237 3.9237 4.9560 4.9560 5.8730 5.8730 5.9021 5.9021 5.9516 5.9516 6.1826 6.1826 6.4644 6.4644 6.5484 6.5484 6.7465 6.7465 6.7931 6.7931 7.0710 7.0710 7.1053 7.1053 7.8989 7.8989 7.9340 7.9340 8.0757 8.0757 8.5717 8.5717 10.6715 10.6715 12.7115 12.7115 17.8753 17.8753 18.8905 18.8905 k =-0.1250 0.0421 0.0000 ( 2398 PWs) bands (ev): -6.4312 -6.4312 -5.4593 -5.4593 3.9182 3.9182 4.9595 4.9595 5.8500 5.8500 5.8938 5.8938 5.9529 5.9529 6.1872 6.1872 6.4444 6.4444 6.5376 6.5376 6.7360 6.7360 6.7619 6.7619 7.0801 7.0801 7.1193 7.1193 7.8794 7.8794 7.9824 7.9824 8.0924 8.0924 8.5607 8.5607 10.7473 10.7473 12.7460 12.7460 17.8559 17.8559 18.8878 18.8878 k =-0.1406 0.0474 0.0000 ( 2400 PWs) bands (ev): -6.4209 -6.4209 -5.4683 -5.4683 3.9127 3.9127 4.9633 4.9633 5.8204 5.8204 5.8848 5.8848 5.9538 5.9538 6.1929 6.1929 6.4087 6.4087 6.5366 6.5366 6.7174 6.7174 6.7511 6.7511 7.0866 7.0866 7.1395 7.1395 7.8575 7.8575 8.0217 8.0217 8.1134 8.1134 8.5483 8.5483 10.8322 10.8322 12.7849 12.7849 17.8353 17.8353 18.8827 18.8827 k =-0.1562 0.0526 0.0000 ( 2400 PWs) bands (ev): -6.4096 -6.4096 -5.4782 -5.4782 3.9074 3.9074 4.9675 4.9675 5.7833 5.7833 5.8751 5.8751 5.9538 5.9538 6.1987 6.1987 6.3676 6.3676 6.5411 6.5411 6.7021 6.7021 6.7465 6.7465 7.0916 7.0916 7.1641 7.1641 7.8332 7.8332 8.0519 8.0519 8.1387 8.1387 8.5346 8.5346 10.9257 10.9257 12.8279 12.8279 17.8139 17.8139 18.8737 18.8737 k =-0.1719 0.0579 0.0000 ( 2396 PWs) bands (ev): -6.3972 -6.3972 -5.4891 -5.4891 3.9026 3.9026 4.9721 4.9721 5.7381 5.7381 5.8649 5.8649 5.9526 5.9526 6.2030 6.2030 6.3309 6.3309 6.5474 6.5474 6.6924 6.6924 6.7432 6.7432 7.0959 7.0959 7.1917 7.1917 7.8069 7.8069 8.0749 8.0749 8.1660 8.1660 8.5200 8.5200 11.0270 11.0270 12.8751 12.8751 17.7915 17.7915 18.8581 18.8581 k =-0.1875 0.0632 0.0000 ( 2402 PWs) bands (ev): -6.3837 -6.3837 -5.5010 -5.5010 3.8985 3.8985 4.9769 4.9769 5.6846 5.6846 5.8542 5.8542 5.9498 5.9498 6.2027 6.2027 6.3062 6.3062 6.5535 6.5535 6.6874 6.6874 6.7405 6.7405 7.0999 7.0999 7.2213 7.2213 7.7788 7.7788 8.0932 8.0932 8.1930 8.1930 8.5042 8.5042 11.1354 11.1354 12.9264 12.9264 17.7682 17.7682 18.8299 18.8299 k =-0.2031 0.0684 0.0000 ( 2408 PWs) bands (ev): -6.3693 -6.3693 -5.5138 -5.5138 3.8954 3.8954 4.9819 4.9819 5.6236 5.6236 5.8433 5.8433 5.9450 5.9450 6.1956 6.1956 6.2975 6.2975 6.5585 6.5585 6.6861 6.6861 6.7383 6.7383 7.1037 7.1037 7.2525 7.2525 7.7491 7.7491 8.1083 8.1083 8.2182 8.2182 8.4876 8.4876 11.2499 11.2499 12.9818 12.9818 17.7435 17.7435 18.7809 18.7809 k =-0.2188 0.0737 0.0000 ( 2408 PWs) bands (ev): -6.3539 -6.3539 -5.5275 -5.5275 3.8933 3.8933 4.9871 4.9871 5.5563 5.5563 5.8321 5.8321 5.9384 5.9384 6.1850 6.1850 6.3019 6.3019 6.5616 6.5616 6.6881 6.6881 6.7369 6.7369 7.1074 7.1074 7.2848 7.2848 7.7182 7.7182 8.1208 8.1208 8.2413 8.2413 8.4702 8.4702 11.3694 11.3694 13.0412 13.0412 17.7171 17.7171 18.7093 18.7093 k =-0.2344 0.0789 0.0000 ( 2410 PWs) bands (ev): -6.3376 -6.3376 -5.5421 -5.5421 3.8927 3.8927 4.9924 4.9924 5.4842 5.4842 5.8209 5.8209 5.9300 5.9300 6.1753 6.1753 6.3140 6.3140 6.5626 6.5626 6.6925 6.6925 6.7368 6.7368 7.1109 7.1109 7.3175 7.3175 7.6866 7.6866 8.1308 8.1308 8.2623 8.2623 8.4522 8.4522 11.4930 11.4930 13.1047 13.1047 17.6879 17.6879 18.6218 18.6218 k =-0.2500 0.0842 0.0000 ( 2406 PWs) bands (ev): -6.3205 -6.3205 -5.5575 -5.5575 3.8936 3.8936 4.9976 4.9976 5.4089 5.4089 5.8096 5.8096 5.9204 5.9204 6.1685 6.1685 6.3304 6.3304 6.5618 6.5618 6.6978 6.6978 6.7387 6.7387 7.1142 7.1142 7.3499 7.3499 7.6550 7.6550 8.1382 8.1382 8.2816 8.2816 8.4338 8.4338 11.6194 11.6194 13.1725 13.1725 17.6546 17.6546 18.5256 18.5256 k =-0.2656 0.0895 0.0000 ( 2402 PWs) bands (ev): -6.3026 -6.3026 -5.5737 -5.5737 3.8962 3.8962 5.0028 5.0028 5.3319 5.3319 5.7985 5.7985 5.9099 5.9099 6.1646 6.1646 6.3496 6.3496 6.5593 6.5593 6.7024 6.7024 6.7439 6.7439 7.1174 7.1174 7.3807 7.3807 7.6245 7.6245 8.1428 8.1428 8.2995 8.2995 8.4151 8.4151 11.7473 11.7473 13.2446 13.2446 17.6149 17.6149 18.4263 18.4263 k =-0.2812 0.0947 0.0000 ( 2406 PWs) bands (ev): -6.2840 -6.2840 -5.5906 -5.5906 3.9007 3.9007 5.0076 5.0076 5.2545 5.2545 5.7875 5.7875 5.8990 5.8990 6.1631 6.1631 6.3708 6.3708 6.5557 6.5557 6.7050 6.7050 6.7528 6.7528 7.1202 7.1202 7.4074 7.4074 7.5978 7.5978 8.1445 8.1445 8.3162 8.3162 8.3964 8.3964 11.8754 11.8754 13.3213 13.3213 17.5659 17.5659 18.3290 18.3290 k =-0.2969 0.1000 0.0000 ( 2406 PWs) bands (ev): -6.2648 -6.2648 -5.6081 -5.6081 3.9073 3.9073 5.0112 5.0112 5.1783 5.1783 5.7768 5.7768 5.8882 5.8882 6.1634 6.1634 6.3936 6.3936 6.5514 6.5514 6.7060 6.7060 6.7648 6.7648 7.1228 7.1228 7.4246 7.4246 7.5799 7.5799 8.1433 8.1433 8.3312 8.3312 8.3785 8.3785 12.0021 12.0021 13.4030 13.4030 17.5043 17.5043 18.2389 18.2389 k =-0.3125 0.1053 0.0000 ( 2406 PWs) bands (ev): -6.2450 -6.2450 -5.6263 -5.6263 3.9160 3.9160 5.0111 5.0111 5.1066 5.1066 5.7666 5.7666 5.8776 5.8776 6.1649 6.1649 6.4176 6.4176 6.5467 6.5467 6.7059 6.7059 6.7789 6.7789 7.1250 7.1250 7.4253 7.4253 7.5783 7.5783 8.1395 8.1395 8.3402 8.3402 8.3657 8.3657 12.1259 12.1259 13.4899 13.4899 17.4266 17.4266 18.1608 18.1608 k =-0.3281 0.1105 0.0000 ( 2398 PWs) bands (ev): -6.2249 -6.2249 -5.6449 -5.6449 3.9270 3.9270 4.9916 4.9916 5.0556 5.0556 5.7568 5.7568 5.8674 5.8674 6.1673 6.1673 6.4424 6.4424 6.5419 6.5419 6.7053 6.7053 6.7942 6.7942 7.1267 7.1267 7.4087 7.4087 7.5936 7.5936 8.1333 8.1333 8.3312 8.3312 8.3705 8.3705 12.2452 12.2452 13.5823 13.5823 17.3313 17.3313 18.0976 18.0976 k =-0.3438 0.1158 0.0000 ( 2400 PWs) bands (ev): -6.2044 -6.2044 -5.6640 -5.6640 3.9402 3.9402 4.9344 4.9344 5.0440 5.0440 5.7475 5.7475 5.8579 5.8579 6.1701 6.1701 6.4675 6.4675 6.5376 6.5376 6.7044 6.7044 6.8102 6.8102 7.1276 7.1276 7.3819 7.3819 7.6189 7.6189 8.1251 8.1251 8.3138 8.3138 8.3829 8.3829 12.3583 12.3583 13.6806 13.6806 17.2193 17.2193 18.0500 18.0500 k =-0.3594 0.1210 0.0000 ( 2390 PWs) bands (ev): -6.1838 -6.1838 -5.6833 -5.6833 3.9558 3.9558 4.8670 4.8670 5.0448 5.0448 5.7389 5.7389 5.8491 5.8491 6.1731 6.1731 6.4916 6.4916 6.5351 6.5351 6.7035 6.7035 6.8267 6.8267 7.1277 7.1277 7.3508 7.3508 7.6488 7.6488 8.1153 8.1153 8.2953 8.2953 8.3959 8.3959 12.4638 12.4638 13.7845 13.7845 17.0934 17.0934 18.0162 18.0162 k =-0.3750 0.1263 0.0000 ( 2382 PWs) bands (ev): -6.1632 -6.1632 -5.7026 -5.7026 3.9736 3.9736 4.7998 4.7998 5.0478 5.0478 5.7311 5.7311 5.8410 5.8410 6.1761 6.1761 6.5089 6.5089 6.5396 6.5396 6.7026 6.7026 6.8432 6.8432 7.1263 7.1263 7.3185 7.3185 7.6801 7.6801 8.1043 8.1043 8.2767 8.2767 8.4084 8.4084 12.5604 12.5604 13.8938 13.8938 16.9578 16.9578 17.9940 17.9940 k =-0.3906 0.1316 0.0000 ( 2386 PWs) bands (ev): -6.1429 -6.1429 -5.7219 -5.7219 3.9935 3.9935 4.7351 4.7351 5.0512 5.0512 5.7239 5.7239 5.8338 5.8338 6.1789 6.1789 6.5128 6.5128 6.5575 6.5575 6.7017 6.7017 6.8598 6.8598 7.1228 7.1228 7.2871 7.2871 7.7116 7.7116 8.0924 8.0924 8.2584 8.2584 8.4198 8.4198 12.6469 12.6469 14.0073 14.0073 16.8165 16.8165 17.9807 17.9807 k =-0.4062 0.1368 0.0000 ( 2386 PWs) bands (ev): -6.1231 -6.1231 -5.7407 -5.7407 4.0152 4.0152 4.6739 4.6739 5.0545 5.0545 5.7176 5.7176 5.8275 5.8275 6.1816 6.1816 6.5110 6.5110 6.5809 6.5809 6.7010 6.7010 6.8764 6.8764 7.1162 7.1162 7.2586 7.2586 7.7423 7.7423 8.0799 8.0799 8.2410 8.2410 8.4300 8.4300 12.7226 12.7226 14.1234 14.1234 16.6738 16.6738 17.9743 17.9743 k =-0.4219 0.1421 0.0000 ( 2390 PWs) bands (ev): -6.1043 -6.1043 -5.7586 -5.7586 4.0383 4.0383 4.6169 4.6169 5.0575 5.0575 5.7121 5.7121 5.8221 5.8221 6.1839 6.1839 6.5082 6.5082 6.6042 6.6042 6.7003 6.7003 6.8933 6.8933 7.1051 7.1051 7.2347 7.2347 7.7717 7.7717 8.0673 8.0673 8.2247 8.2247 8.4389 8.4389 12.7869 12.7869 14.2393 14.2393 16.5340 16.5340 17.9729 17.9729 k =-0.4375 0.1474 0.0000 ( 2390 PWs) bands (ev): -6.0870 -6.0870 -5.7753 -5.7753 4.0620 4.0620 4.5652 4.5652 5.0601 5.0601 5.7076 5.7076 5.8177 5.8177 6.1859 6.1859 6.5055 6.5055 6.6258 6.6258 6.6997 6.6997 6.9107 6.9107 7.0888 7.0888 7.2170 7.2170 7.7989 7.7989 8.0548 8.0548 8.2101 8.2101 8.4463 8.4463 12.8396 12.8396 14.3509 14.3509 16.4022 16.4022 17.9751 17.9751 k =-0.4531 0.1526 0.0000 ( 2390 PWs) bands (ev): -6.0719 -6.0719 -5.7898 -5.7898 4.0850 4.0850 4.5203 4.5203 5.0621 5.0621 5.7041 5.7041 5.8142 5.8142 6.1875 6.1875 6.5033 6.5033 6.6443 6.6443 6.6993 6.6993 6.9289 6.9289 7.0679 7.0679 7.2053 7.2053 7.8229 7.8229 8.0429 8.0429 8.1978 8.1978 8.4522 8.4522 12.8806 12.8806 14.4523 14.4523 16.2848 16.2848 17.9791 17.9791 k =-0.4688 0.1579 0.0000 ( 2386 PWs) bands (ev): -6.0600 -6.0600 -5.8013 -5.8013 4.1051 4.1051 4.4845 4.4845 5.0637 5.0637 5.7015 5.7015 5.8117 5.8117 6.1887 6.1887 6.5016 6.5016 6.6586 6.6586 6.6990 6.6990 6.9482 6.9482 7.0441 7.0441 7.1984 7.1984 7.8424 7.8424 8.0326 8.0326 8.1885 8.1885 8.4564 8.4564 12.9099 12.9099 14.5357 14.5357 16.1899 16.1899 17.9835 17.9835 k =-0.4844 0.1632 0.0000 ( 2390 PWs) bands (ev): -6.0522 -6.0522 -5.8089 -5.8089 4.1193 4.1193 4.4607 4.4607 5.0646 5.0646 5.7000 5.7000 5.8102 5.8102 6.1894 6.1894 6.5006 6.5006 6.6676 6.6676 6.6988 6.6988 6.9686 6.9686 7.0201 7.0201 7.1948 7.1948 7.8555 7.8555 8.0252 8.0252 8.1827 8.1827 8.4589 8.4589 12.9274 12.9274 14.5915 14.5915 16.1271 16.1271 17.9869 17.9869 k =-0.5000 0.1684 0.0000 ( 2390 PWs) bands (ev): -6.0495 -6.0495 -5.8115 -5.8115 4.1246 4.1246 4.4524 4.4524 5.0649 5.0649 5.6994 5.6994 5.8097 5.8097 6.1896 6.1896 6.5002 6.5002 6.6707 6.6707 6.6987 6.6987 6.9837 6.9837 7.0036 7.0036 7.1937 7.1937 7.8602 7.8602 8.0224 8.0224 8.1807 8.1807 8.4597 8.4597 12.9332 12.9332 14.6114 14.6114 16.1049 16.1049 17.9882 17.9882 k =-0.5000 0.1684 0.0000 ( 2390 PWs) bands (ev): -6.0495 -6.0495 -5.8115 -5.8115 4.1246 4.1246 4.4524 4.4524 5.0649 5.0649 5.6994 5.6994 5.8097 5.8097 6.1896 6.1896 6.5002 6.5002 6.6707 6.6707 6.6987 6.6987 6.9837 6.9837 7.0036 7.0036 7.1937 7.1937 7.8602 7.8602 8.0224 8.0224 8.1807 8.1807 8.4597 8.4597 12.9332 12.9332 14.6114 14.6114 16.1049 16.1049 17.9882 17.9882 k =-0.4947 0.1841-0.0000 ( 2386 PWs) bands (ev): -6.0489 -6.0489 -5.8111 -5.8111 4.1253 4.1253 4.4515 4.4515 5.0642 5.0642 5.6960 5.6960 5.8081 5.8081 6.1888 6.1888 6.4890 6.4890 6.6704 6.6704 6.7158 6.7158 6.9765 6.9765 7.0071 7.0071 7.1932 7.1932 7.8577 7.8577 8.0020 8.0020 8.2036 8.2036 8.4646 8.4646 12.9346 12.9346 14.6124 14.6124 16.1059 16.1059 17.9897 17.9897 k =-0.4894 0.1997-0.0000 ( 2390 PWs) bands (ev): -6.0471 -6.0471 -5.8098 -5.8098 4.1274 4.1274 4.4490 4.4490 5.0622 5.0622 5.6857 5.6857 5.8033 5.8033 6.1864 6.1864 6.4641 6.4641 6.6693 6.6693 6.7582 6.7582 6.9617 6.9617 7.0107 7.0107 7.1915 7.1915 7.8446 7.8446 7.9682 7.9682 8.2495 8.2495 8.4799 8.4799 12.9386 12.9386 14.6154 14.6154 16.1086 16.1086 17.9943 17.9943 k =-0.4842 0.2154-0.0000 ( 2392 PWs) bands (ev): -6.0441 -6.0441 -5.8076 -5.8076 4.1308 4.1308 4.4447 4.4447 5.0589 5.0589 5.6685 5.6685 5.7953 5.7953 6.1822 6.1822 6.4376 6.4376 6.6673 6.6673 6.8128 6.8128 6.9446 6.9446 7.0102 7.0102 7.1893 7.1893 7.8100 7.8100 7.9525 7.9525 8.2963 8.2963 8.5071 8.5071 12.9452 12.9452 14.6204 14.6204 16.1133 16.1133 18.0019 18.0019 k =-0.4789 0.2311-0.0000 ( 2392 PWs) bands (ev): -6.0399 -6.0399 -5.8046 -5.8046 4.1357 4.1357 4.4387 4.4387 5.0542 5.0542 5.6445 5.6445 5.7841 5.7841 6.1761 6.1761 6.4154 6.4154 6.6640 6.6640 6.8681 6.8681 6.9315 6.9315 7.0042 7.0042 7.1876 7.1876 7.7587 7.7587 7.9574 7.9574 8.3363 8.3363 8.5471 8.5471 12.9542 12.9542 14.6272 14.6272 16.1197 16.1197 18.0127 18.0127 k =-0.4736 0.2467-0.0000 ( 2388 PWs) bands (ev): -6.0346 -6.0346 -5.8007 -5.8007 4.1419 4.1419 4.4307 4.4307 5.0484 5.0484 5.6141 5.6141 5.7697 5.7697 6.1685 6.1685 6.3995 6.3995 6.6589 6.6589 6.8869 6.8869 6.9521 6.9521 6.9964 6.9964 7.1884 7.1884 7.7028 7.7028 7.9733 7.9733 8.3691 8.3691 8.5976 8.5976 12.9653 12.9653 14.6359 14.6359 16.1279 16.1279 18.0265 18.0265 k =-0.4683 0.2624-0.0000 ( 2388 PWs) bands (ev): -6.0280 -6.0280 -5.7960 -5.7960 4.1494 4.1494 4.4207 4.4207 5.0413 5.0413 5.5778 5.5778 5.7521 5.7521 6.1598 6.1598 6.3899 6.3899 6.6516 6.6516 6.8732 6.8732 6.9560 6.9560 7.0293 7.0293 7.1950 7.1950 7.6490 7.6490 7.9950 7.9950 8.3972 8.3972 8.6547 8.6547 12.9781 12.9781 14.6464 14.6464 16.1379 16.1379 18.0432 18.0432 k =-0.4631 0.2781-0.0000 ( 2388 PWs) bands (ev): -6.0204 -6.0204 -5.7905 -5.7905 4.1582 4.1582 4.4084 4.4084 5.0331 5.0331 5.5363 5.5363 5.7312 5.7312 6.1509 6.1509 6.3857 6.3857 6.6412 6.6412 6.8570 6.8570 6.9273 6.9273 7.0823 7.0823 7.2151 7.2151 7.6001 7.6001 8.0202 8.0202 8.4233 8.4233 8.7149 8.7149 12.9923 12.9923 14.6584 14.6584 16.1497 16.1497 18.0627 18.0627 k =-0.4578 0.2937-0.0000 ( 2388 PWs) bands (ev): -6.0115 -6.0115 -5.7843 -5.7843 4.1683 4.1683 4.3938 4.3938 5.0238 5.0238 5.4905 5.4905 5.7073 5.7073 6.1425 6.1425 6.3851 6.3851 6.6268 6.6268 6.8418 6.8418 6.8906 6.8906 7.1190 7.1190 7.2590 7.2590 7.5574 7.5574 8.0475 8.0475 8.4492 8.4492 8.7758 8.7758 13.0073 13.0073 14.6719 14.6719 16.1632 16.1632 18.0843 18.0843 k =-0.4525 0.3094-0.0000 ( 2386 PWs) bands (ev): -6.0016 -6.0016 -5.7773 -5.7773 4.1796 4.1796 4.3765 4.3765 5.0135 5.0135 5.4412 5.4412 5.6804 5.6804 6.1348 6.1348 6.3861 6.3861 6.6076 6.6076 6.8239 6.8239 6.8560 6.8560 7.1384 7.1384 7.3246 7.3246 7.5212 7.5212 8.0761 8.0761 8.4758 8.4758 8.8360 8.8360 13.0229 13.0229 14.6867 14.6867 16.1784 16.1784 18.1050 18.1050 k =-0.4472 0.3251-0.0000 ( 2394 PWs) bands (ev): -5.9906 -5.9906 -5.7695 -5.7695 4.1921 4.1921 4.3565 4.3565 5.0023 5.0023 5.3893 5.3893 5.6507 5.6507 6.1282 6.1282 6.3853 6.3853 6.5832 6.5832 6.7926 6.7926 6.8395 6.8395 7.1500 7.1500 7.4003 7.4003 7.4916 7.4916 8.1054 8.1054 8.5036 8.5036 8.8946 8.8946 13.0383 13.0383 14.7027 14.7027 16.1955 16.1955 18.0967 18.0967 k =-0.4420 0.3407-0.0000 ( 2394 PWs) bands (ev): -5.9785 -5.9785 -5.7612 -5.7612 4.2056 4.2056 4.3336 4.3336 4.9903 4.9903 5.3356 5.3356 5.6186 5.6186 6.1226 6.1226 6.3768 6.3768 6.5565 6.5565 6.7588 6.7588 6.8353 6.8353 7.1590 7.1590 7.4548 7.4548 7.4935 7.4935 8.1349 8.1349 8.5331 8.5331 8.9511 8.9511 13.0532 13.0532 14.7196 14.7196 16.2144 16.2144 18.0250 18.0250 k =-0.4367 0.3564-0.0000 ( 2386 PWs) bands (ev): -5.9653 -5.9653 -5.7521 -5.7521 4.2201 4.2201 4.3076 4.3076 4.9776 4.9776 5.2806 5.2806 5.5845 5.5845 6.1180 6.1180 6.3517 6.3517 6.5355 6.5355 6.7320 6.7320 6.8366 6.8366 7.1673 7.1673 7.4385 7.4385 7.5733 7.5733 8.1644 8.1644 8.5641 8.5641 9.0051 9.0051 13.0670 13.0670 14.7374 14.7374 16.2351 16.2351 17.9374 17.9374 k =-0.4314 0.3721-0.0000 ( 2390 PWs) bands (ev): -5.9512 -5.9512 -5.7425 -5.7425 4.2353 4.2353 4.2787 4.2787 4.9642 4.9642 5.2249 5.2249 5.5487 5.5487 6.1142 6.1142 6.3040 6.3040 6.5274 6.5274 6.7136 6.7136 6.8417 6.8417 7.1755 7.1755 7.4199 7.4199 7.6601 7.6601 8.1934 8.1934 8.5968 8.5968 9.0562 9.0562 13.0792 13.0792 14.7558 14.7558 16.2579 16.2579 17.8437 17.8437 k =-0.4261 0.3877-0.0000 ( 2386 PWs) bands (ev): -5.9361 -5.9361 -5.7324 -5.7324 4.2418 4.2418 4.2558 4.2558 4.9503 4.9503 5.1690 5.1690 5.5118 5.5118 6.1111 6.1111 6.2379 6.2379 6.5308 6.5308 6.7026 6.7026 6.8501 6.8501 7.1841 7.1841 7.4033 7.4033 7.7488 7.7488 8.2220 8.2220 8.6311 8.6311 9.1046 9.1046 13.0894 13.0894 14.7747 14.7747 16.2827 16.2827 17.7459 17.7459 k =-0.4208 0.4034-0.0000 ( 2390 PWs) bands (ev): -5.9200 -5.9200 -5.7217 -5.7217 4.2085 4.2085 4.2701 4.2701 4.9359 4.9359 5.1131 5.1131 5.4742 5.4742 6.1085 6.1085 6.1604 6.1604 6.5410 6.5410 6.6977 6.6977 6.8614 6.8614 7.1929 7.1929 7.3885 7.3885 7.8386 7.8386 8.2499 8.2499 8.6668 8.6668 9.1498 9.1498 13.0971 13.0971 14.7939 14.7939 16.3096 16.3096 17.6448 17.6448 k =-0.4156 0.4191-0.0000 ( 2394 PWs) bands (ev): -5.9030 -5.9030 -5.7107 -5.7107 4.1693 4.1693 4.2875 4.2875 4.9212 4.9212 5.0576 5.0576 5.4363 5.4363 6.0764 6.0764 6.1064 6.1064 6.5548 6.5548 6.6978 6.6978 6.8756 6.8756 7.2022 7.2022 7.3751 7.3751 7.9291 7.9291 8.2772 8.2772 8.7040 8.7040 9.1921 9.1921 13.1021 13.1021 14.8132 14.8132 16.3387 16.3387 17.5412 17.5412 k =-0.4103 0.4347-0.0000 ( 2390 PWs) bands (ev): -5.8852 -5.8852 -5.6992 -5.6992 4.1268 4.1268 4.3054 4.3054 4.9062 4.9062 5.0028 5.0028 5.3985 5.3985 5.9893 5.9893 6.1045 6.1045 6.5705 6.5705 6.7022 6.7022 6.8928 6.8928 7.2120 7.2120 7.3631 7.3631 8.0200 8.0200 8.3037 8.3037 8.7424 8.7424 9.2313 9.2313 13.1040 13.1040 14.8324 14.8324 16.3699 16.3699 17.4357 17.4357 k =-0.4050 0.4504-0.0000 ( 2390 PWs) bands (ev): -5.8666 -5.8666 -5.6875 -5.6875 4.0812 4.0812 4.3233 4.3233 4.8907 4.8907 4.9491 4.9491 5.3610 5.3610 5.9007 5.9007 6.1031 6.1031 6.5867 6.5867 6.7104 6.7104 6.9126 6.9126 7.2221 7.2221 7.3522 7.3522 8.1110 8.1110 8.3295 8.3295 8.7819 8.7819 9.2675 9.2675 13.1027 13.1027 14.8513 14.8513 16.4031 16.4031 17.3293 17.3293 k =-0.3997 0.4661-0.0000 ( 2395 PWs) bands (ev): -5.8472 -5.8472 -5.6755 -5.6755 4.0328 4.0328 4.3410 4.3410 4.8732 4.8732 4.8984 4.8984 5.3242 5.3242 5.8123 5.8123 6.1017 6.1017 6.6029 6.6029 6.7221 6.7221 6.9352 6.9352 7.2327 7.2327 7.3425 7.3425 8.2017 8.2017 8.3548 8.3548 8.8225 8.8225 9.3006 9.3006 13.0980 13.0980 14.8699 14.8699 16.4380 16.4380 17.2226 17.2226 k =-0.3945 0.4817-0.0000 ( 2395 PWs) bands (ev): -5.8271 -5.8271 -5.6634 -5.6634 3.9819 3.9819 4.3581 4.3581 4.8383 4.8383 4.8663 4.8663 5.2882 5.2882 5.7251 5.7251 6.1006 6.1006 6.6185 6.6185 6.7369 6.7369 6.9603 6.9603 7.2436 7.2436 7.3339 7.3339 8.2912 8.2912 8.3803 8.3803 8.8640 8.8640 9.3308 9.3308 13.0899 13.0899 14.8878 14.8878 16.4740 16.4740 17.1168 17.1168 k =-0.3892 0.4974-0.0000 ( 2395 PWs) bands (ev): -5.8064 -5.8064 -5.6512 -5.6512 3.9289 3.9289 4.3741 4.3741 4.7894 4.7894 4.8496 4.8496 5.2530 5.2530 5.6403 5.6403 6.0996 6.0996 6.6333 6.6333 6.7546 6.7546 6.9878 6.9878 7.2547 7.2547 7.3269 7.3269 8.3735 8.3735 8.4116 8.4116 8.9062 8.9062 9.3580 9.3580 13.0784 13.0784 14.9051 14.9051 16.5096 16.5096 17.0137 17.0137 k =-0.3839 0.5131-0.0000 ( 2393 PWs) bands (ev): -5.7850 -5.7850 -5.6390 -5.6390 3.8743 3.8743 4.3882 4.3882 4.7403 4.7403 4.8348 4.8348 5.2187 5.2187 5.5590 5.5590 6.0986 6.0986 6.6469 6.6469 6.7748 6.7748 7.0174 7.0174 7.2654 7.2654 7.3219 7.3219 8.4163 8.4163 8.4811 8.4811 8.9491 8.9491 9.3825 9.3825 13.0637 13.0637 14.9214 14.9214 16.5416 16.5416 16.9167 16.9167 k =-0.3786 0.5287-0.0000 ( 2395 PWs) bands (ev): -5.7632 -5.7632 -5.6268 -5.6268 3.8184 3.8184 4.3996 4.3996 4.6923 4.6923 4.8207 4.8207 5.1851 5.1851 5.4823 5.4823 6.0977 6.0977 6.6594 6.6594 6.7971 6.7971 7.0488 7.0488 7.2746 7.2746 7.3202 7.3202 8.4403 8.4403 8.5675 8.5675 8.9924 8.9924 9.4042 9.4042 13.0460 13.0460 14.9367 14.9367 16.5611 16.5611 16.8347 16.8347 k =-0.3734 0.5444-0.0000 ( 2395 PWs) bands (ev): -5.7408 -5.7408 -5.6148 -5.6148 3.7618 3.7618 4.4074 4.4074 4.6458 4.6458 4.8071 4.8071 5.1523 5.1523 5.4115 5.4115 6.0968 6.0968 6.6707 6.6707 6.8209 6.8209 7.0819 7.0819 7.2807 7.2807 7.3238 7.3238 8.4614 8.4614 8.6548 8.6548 9.0362 9.0362 9.4232 9.4232 13.0255 13.0255 14.9507 14.9507 16.5484 16.5484 16.7873 16.7873 k =-0.3681 0.5601-0.0000 ( 2395 PWs) bands (ev): -5.7180 -5.7180 -5.6030 -5.6030 3.7048 3.7048 4.4103 4.4103 4.6010 4.6010 4.7940 4.7940 5.1201 5.1201 5.3482 5.3482 6.0960 6.0960 6.6811 6.6811 6.8457 6.8457 7.1161 7.1161 7.2832 7.2832 7.3336 7.3336 8.4813 8.4813 8.7412 8.7412 9.0801 9.0801 9.4396 9.4396 13.0027 13.0027 14.9633 14.9633 16.4916 16.4916 16.7857 16.7857 k =-0.3628 0.5757-0.0000 ( 2397 PWs) bands (ev): -5.6949 -5.6949 -5.5916 -5.5916 3.6479 3.6479 4.4069 4.4069 4.5581 4.5581 4.7815 4.7815 5.0886 5.0886 5.2938 5.2938 6.0950 6.0950 6.6905 6.6905 6.8709 6.8709 7.1511 7.1511 7.2836 7.2836 7.3480 7.3480 8.5001 8.5001 8.8260 8.8260 9.1242 9.1242 9.4537 9.4537 12.9777 12.9777 14.9743 14.9743 16.4099 16.4099 16.8103 16.8103 k =-0.3575 0.5914-0.0000 ( 2397 PWs) bands (ev): -5.6715 -5.6715 -5.5806 -5.5806 3.5916 3.5916 4.3962 4.3962 4.5172 4.5172 4.7695 4.7695 5.0577 5.0577 5.2495 5.2495 6.0940 6.0940 6.6990 6.6990 6.8959 6.8959 7.1864 7.1864 7.2839 7.2839 7.3657 7.3657 8.5178 8.5178 8.9091 8.9091 9.1683 9.1683 9.4654 9.4654 12.9512 12.9512 14.9835 14.9835 16.3200 16.3200 16.8425 16.8425 k =-0.3522 0.6071-0.0000 ( 2403 PWs) bands (ev): -5.6479 -5.6479 -5.5700 -5.5700 3.5362 3.5362 4.3774 4.3774 4.4780 4.4780 4.7582 4.7582 5.0276 5.0276 5.2162 5.2162 6.0930 6.0930 6.7068 6.7068 6.9201 6.9201 7.2215 7.2215 7.2852 7.2852 7.3861 7.3861 8.5346 8.5346 8.9897 8.9897 9.2123 9.2123 9.4749 9.4749 12.9235 12.9235 14.9907 14.9907 16.2288 16.2288 16.8734 16.8734 k =-0.3470 0.6227-0.0000 ( 2407 PWs) bands (ev): -5.6241 -5.6241 -5.5601 -5.5601 3.4822 3.4822 4.3510 4.3510 4.4401 4.4401 4.7474 4.7474 4.9985 4.9985 5.1941 5.1941 6.0918 6.0918 6.7138 6.7138 6.9429 6.9429 7.2555 7.2555 7.2886 7.2886 7.4090 7.4090 8.5503 8.5503 9.0675 9.0675 9.2560 9.2560 9.4825 9.4825 12.8951 12.8951 14.9956 14.9956 16.1390 16.1390 16.8968 16.8968 k =-0.3417 0.6384-0.0000 ( 2411 PWs) bands (ev): -5.6003 -5.6003 -5.5508 -5.5508 3.4298 3.4298 4.3181 4.3181 4.4026 4.4026 4.7374 4.7374 4.9705 4.9705 5.1826 5.1826 6.0905 6.0905 6.7202 6.7202 6.9639 6.9639 7.2819 7.2819 7.3005 7.3005 7.4345 7.4345 8.5651 8.5651 9.1419 9.1419 9.2995 9.2995 9.4884 9.4884 12.8666 12.8666 14.9981 14.9981 16.0522 16.0522 16.9067 16.9067 k =-0.3364 0.6541-0.0000 ( 2415 PWs) bands (ev): -5.5765 -5.5765 -5.5423 -5.5423 3.3795 3.3795 4.2800 4.2800 4.3655 4.3655 4.7282 4.7282 4.9436 4.9436 5.1809 5.1809 6.0890 6.0890 6.7259 6.7259 6.9826 6.9826 7.2918 7.2918 7.3298 7.3298 7.4622 7.4622 8.5788 8.5788 9.2121 9.2121 9.3427 9.3427 9.4929 9.4929 12.8383 12.8383 14.9978 14.9978 15.9692 15.9692 16.8976 16.8976 k =-0.3311 0.6697-0.0000 ( 2405 PWs) bands (ev): -5.5529 -5.5529 -5.5346 -5.5346 3.3316 3.3316 4.2378 4.2378 4.3293 4.3293 4.7198 4.7198 4.9176 4.9176 5.1877 5.1877 6.0875 6.0875 6.7310 6.7310 6.9990 6.9990 7.2992 7.2992 7.3625 7.3625 7.4919 7.4919 8.5915 8.5915 9.2770 9.2770 9.3857 9.3857 9.4969 9.4969 12.8110 12.8110 14.9946 14.9946 15.8909 15.8909 16.8657 16.8657 k =-0.3259 0.6854-0.0000 ( 2405 PWs) bands (ev): -5.5301 -5.5301 -5.5272 -5.5272 3.2864 3.2864 4.1925 4.1925 4.2944 4.2944 4.7124 4.7124 4.8923 4.8923 5.2017 5.2017 6.0858 6.0858 6.7355 6.7355 7.0127 7.0127 7.3072 7.3072 7.3953 7.3953 7.5232 7.5232 8.6031 8.6031 9.3343 9.3343 9.4288 9.4288 9.5017 9.5017 12.7850 12.7850 14.9882 14.9882 15.8178 15.8178 16.8104 16.8104 k =-0.3206 0.7011-0.0000 ( 2409 PWs) bands (ev): -5.5224 -5.5224 -5.5059 -5.5059 3.2441 3.2441 4.1450 4.1450 4.2614 4.2614 4.7059 4.7059 4.8676 4.8676 5.2215 5.2215 6.0838 6.0838 6.7393 6.7393 7.0241 7.0241 7.3160 7.3160 7.4277 7.4277 7.5554 7.5554 8.6135 8.6135 9.3805 9.3805 9.4717 9.4717 9.5105 9.5105 12.7610 12.7610 14.9783 14.9783 15.7504 15.7504 16.7346 16.7346 k =-0.3153 0.7167-0.0000 ( 2409 PWs) bands (ev): -5.5177 -5.5177 -5.4831 -5.4831 3.2050 3.2050 4.0964 4.0964 4.2304 4.2304 4.7003 4.7003 4.8437 4.8437 5.2460 5.2460 6.0817 6.0817 6.7425 6.7425 7.0334 7.0334 7.3255 7.3255 7.4598 7.4598 7.5881 7.5881 8.6228 8.6228 9.4114 9.4114 9.5106 9.5106 9.5312 9.5312 12.7393 12.7393 14.9648 14.9648 15.6892 15.6892 16.6428 16.6428 k =-0.3100 0.7324-0.0000 ( 2421 PWs) bands (ev): -5.5143 -5.5143 -5.4606 -5.4606 3.1693 3.1693 4.0477 4.0477 4.2015 4.2015 4.6957 4.6957 4.8205 4.8205 5.2744 5.2744 6.0793 6.0793 6.7452 6.7452 7.0408 7.0408 7.3354 7.3354 7.4913 7.4913 7.6205 7.6205 8.6307 8.6307 9.4258 9.4258 9.5407 9.5407 9.5690 9.5690 12.7207 12.7207 14.9475 14.9475 15.6346 15.6346 16.5391 16.5391 k =-0.3047 0.7481-0.0000 ( 2415 PWs) bands (ev): -5.5120 -5.5120 -5.4386 -5.4386 3.1372 3.1372 3.9999 3.9999 4.1746 4.1746 4.6918 4.6918 4.7983 4.7983 5.3059 5.3059 6.0768 6.0768 6.7474 6.7474 7.0469 7.0469 7.3458 7.3458 7.5221 7.5221 7.6525 7.6525 8.6373 8.6373 9.4285 9.4285 9.5706 9.5706 9.6102 9.6102 12.7055 12.7055 14.9263 14.9263 15.5869 15.5869 16.4272 16.4272 k =-0.2995 0.7637-0.0000 ( 2413 PWs) bands (ev): -5.5111 -5.5111 -5.4172 -5.4172 3.1088 3.1088 3.9536 3.9536 4.1497 4.1497 4.6884 4.6884 4.7772 4.7772 5.3400 5.3400 6.0740 6.0740 6.7490 6.7490 7.0518 7.0518 7.3562 7.3562 7.5520 7.5520 7.6833 7.6833 8.6425 8.6425 9.4247 9.4247 9.6009 9.6009 9.6486 9.6486 12.6943 12.6943 14.9013 14.9013 15.5463 15.5463 16.3096 16.3096 k =-0.2942 0.7794-0.0000 ( 2413 PWs) bands (ev): -5.5115 -5.5115 -5.3964 -5.3964 3.0845 3.0845 3.9093 3.9093 4.1267 4.1267 4.6850 4.6850 4.7580 4.7580 5.3760 5.3760 6.0710 6.0710 6.7502 6.7502 7.0556 7.0556 7.3666 7.3666 7.5806 7.5806 7.7128 7.7128 8.6461 8.6461 9.4170 9.4170 9.6301 9.6301 9.6826 9.6826 12.6875 12.6875 14.8724 14.8724 15.5132 15.5132 16.1882 16.1882 k =-0.2889 0.7951-0.0000 ( 2413 PWs) bands (ev): -5.5133 -5.5133 -5.3763 -5.3763 3.0642 3.0642 3.8676 3.8676 4.1056 4.1056 4.6804 4.6804 4.7417 4.7417 5.4137 5.4137 6.0677 6.0677 6.7508 6.7508 7.0589 7.0589 7.3770 7.3770 7.6077 7.6077 7.7404 7.7404 8.6481 8.6481 9.4067 9.4067 9.6575 9.6575 9.7112 9.7112 12.6855 12.6855 14.8397 14.8397 15.4876 15.4876 16.0645 16.0645 k =-0.2836 0.8108-0.0000 ( 2417 PWs) bands (ev): -5.5165 -5.5165 -5.3570 -5.3570 3.0481 3.0481 3.8288 3.8288 4.0864 4.0864 4.6730 4.6730 4.7302 4.7302 5.4527 5.4527 6.0642 6.0642 6.7510 6.7510 7.0615 7.0615 7.3872 7.3872 7.6328 7.6328 7.7660 7.7660 8.6485 8.6485 9.3944 9.3944 9.6824 9.6824 9.7340 9.7340 12.6886 12.6886 14.8033 14.8033 15.4699 15.4699 15.9395 15.9395 k =-0.2784 0.8264-0.0000 ( 2417 PWs) bands (ev): -5.5211 -5.5211 -5.3386 -5.3386 3.0363 3.0363 3.7932 3.7932 4.0690 4.0690 4.6616 4.6616 4.7245 4.7245 5.4928 5.4928 6.0605 6.0605 6.7508 6.7508 7.0637 7.0637 7.3971 7.3971 7.6560 7.6560 7.7893 7.7893 8.6470 8.6470 9.3805 9.3805 9.7046 9.7046 9.7508 9.7508 12.6974 12.6974 14.7632 14.7632 15.4602 15.4602 15.8141 15.8141 k =-0.2784 0.8264-0.0000 ( 2417 PWs) bands (ev): -5.5211 -5.5211 -5.3386 -5.3386 3.0363 3.0363 3.7932 3.7932 4.0690 4.0690 4.6616 4.6616 4.7245 4.7245 5.4928 5.4928 6.0605 6.0605 6.7508 6.7508 7.0637 7.0637 7.3971 7.3971 7.6560 7.6560 7.7893 7.7893 8.6470 8.6470 9.3805 9.3805 9.7046 9.7046 9.7508 9.7508 12.6974 12.6974 14.7632 14.7632 15.4602 15.4602 15.8141 15.8141 k =-0.2784 0.8264 0.0164 ( 2421 PWs) bands (ev): -5.5211 -5.5211 -5.3387 -5.3387 3.0375 3.0375 3.7921 3.7921 4.0713 4.0713 4.6621 4.6621 4.7250 4.7250 5.4936 5.4936 6.0610 6.0610 6.7500 6.7500 7.0629 7.0629 7.3961 7.3961 7.6562 7.6562 7.7891 7.7891 8.6445 8.6445 9.3784 9.3784 9.7031 9.7031 9.7476 9.7476 12.7006 12.7006 14.7679 14.7679 15.4526 15.4526 15.8136 15.8136 k =-0.2784 0.8264 0.0327 ( 2424 PWs) bands (ev): -5.5209 -5.5209 -5.3389 -5.3389 3.0413 3.0413 3.7889 3.7889 4.0782 4.0782 4.6638 4.6638 4.7267 4.7267 5.4960 5.4960 6.0626 6.0626 6.7476 6.7476 7.0602 7.0602 7.3932 7.3932 7.6570 7.6570 7.7884 7.7884 8.6371 8.6371 9.3720 9.3720 9.6984 9.6984 9.7385 9.7385 12.7103 12.7103 14.7817 14.7817 15.4302 15.4302 15.8119 15.8119 k =-0.2784 0.8264 0.0491 ( 2422 PWs) bands (ev): -5.5206 -5.5206 -5.3393 -5.3393 3.0475 3.0475 3.7839 3.7839 4.0891 4.0891 4.6665 4.6665 4.7294 4.7294 5.5000 5.5000 6.0653 6.0653 6.7438 6.7438 7.0559 7.0559 7.3884 7.3884 7.6581 7.6581 7.7873 7.7873 8.6249 8.6249 9.3615 9.3615 9.6893 9.6893 9.7246 9.7246 12.7262 12.7262 14.8038 14.8038 15.3950 15.3950 15.8090 15.8090 k =-0.2784 0.8264 0.0655 ( 2420 PWs) bands (ev): -5.5201 -5.5201 -5.3399 -5.3399 3.0563 3.0563 3.7778 3.7778 4.1036 4.1036 4.6703 4.6703 4.7331 4.7331 5.5055 5.5055 6.0690 6.0690 6.7384 6.7384 7.0499 7.0499 7.3819 7.3819 7.6596 7.6596 7.7857 7.7857 8.6080 8.6080 9.3466 9.3466 9.6732 9.6732 9.7091 9.7091 12.7482 12.7482 14.8326 14.8326 15.3502 15.3502 15.8045 15.8045 k =-0.2784 0.8264 0.0818 ( 2424 PWs) bands (ev): -5.5196 -5.5196 -5.3406 -5.3406 3.0675 3.0675 3.7709 3.7709 4.1212 4.1212 4.6751 4.6751 4.7379 4.7379 5.5126 5.5126 6.0738 6.0738 6.7316 6.7316 7.0424 7.0424 7.3737 7.3737 7.6613 7.6613 7.7836 7.7836 8.5866 8.5866 9.3273 9.3273 9.6480 9.6480 9.6946 9.6946 12.7760 12.7760 14.8645 14.8645 15.3012 15.3012 15.7982 15.7982 k =-0.2784 0.8264 0.0982 ( 2418 PWs) bands (ev): -5.5189 -5.5189 -5.3415 -5.3415 3.0812 3.0812 3.7638 3.7638 4.1413 4.1413 4.6809 4.6809 4.7439 4.7439 5.5212 5.5212 6.0796 6.0796 6.7234 6.7234 7.0333 7.0333 7.3641 7.3641 7.6630 7.6630 7.7812 7.7812 8.5611 8.5611 9.3034 9.3034 9.6147 9.6147 9.6806 9.6806 12.8091 12.8091 14.8925 14.8925 15.2569 15.2569 15.7897 15.7897 k =-0.2784 0.8264 0.1146 ( 2416 PWs) bands (ev): -5.5180 -5.5180 -5.3425 -5.3425 3.0973 3.0973 3.7569 3.7569 4.1634 4.1634 4.6874 4.6874 4.7509 4.7509 5.5314 5.5314 6.0863 6.0863 6.7140 6.7140 7.0228 7.0228 7.3531 7.3531 7.6648 7.6648 7.7783 7.7783 8.5318 8.5318 9.2748 9.2748 9.5755 9.5755 9.6657 9.6657 12.8471 12.8471 14.9028 14.9028 15.2325 15.2325 15.7786 15.7786 k =-0.2784 0.8264 0.1309 ( 2416 PWs) bands (ev): -5.5171 -5.5171 -5.3437 -5.3437 3.1157 3.1157 3.7505 3.7505 4.1872 4.1872 4.6947 4.6947 4.7591 4.7591 5.5430 5.5430 6.0938 6.0938 6.7034 6.7034 7.0111 7.0111 7.3410 7.3410 7.6663 7.6663 7.7750 7.7750 8.4990 8.4990 9.2412 9.2412 9.5319 9.5319 9.6494 9.6494 12.8894 12.8894 14.8812 14.8812 15.2436 15.2436 15.7646 15.7646 k =-0.2784 0.8264 0.1473 ( 2410 PWs) bands (ev): -5.5160 -5.5160 -5.3450 -5.3450 3.1365 3.1365 3.7448 3.7448 4.2124 4.2124 4.7024 4.7024 4.7686 4.7686 5.5561 5.5561 6.1021 6.1021 6.6919 6.6919 6.9983 6.9983 7.3278 7.3278 7.6676 7.6676 7.7713 7.7713 8.4630 8.4630 9.2024 9.2024 9.4851 9.4851 9.6313 9.6313 12.9355 12.9355 14.8295 14.8295 15.2894 15.2894 15.7478 15.7478 k =-0.2784 0.8264 0.1636 ( 2404 PWs) bands (ev): -5.5148 -5.5148 -5.3465 -5.3465 3.1596 3.1596 3.7401 3.7401 4.2386 4.2386 4.7103 4.7103 4.7796 4.7796 5.5707 5.5707 6.1110 6.1110 6.6795 6.6795 6.9846 6.9846 7.3136 7.3136 7.6683 7.6683 7.7673 7.7673 8.4243 8.4243 9.1581 9.1581 9.4362 9.4362 9.6111 9.6111 12.9847 12.9847 14.7599 14.7599 15.3579 15.3579 15.7285 15.7285 k =-0.2784 0.8264 0.1800 ( 2408 PWs) bands (ev): -5.5135 -5.5135 -5.3481 -5.3481 3.1849 3.1849 3.7364 3.7364 4.2656 4.2656 4.7182 4.7182 4.7921 4.7921 5.5866 5.5866 6.1204 6.1204 6.6664 6.6664 6.9701 6.9701 7.2985 7.2985 7.6685 7.6685 7.7629 7.7629 8.3831 8.3831 9.1082 9.1082 9.3861 9.3861 9.5890 9.5890 13.0363 13.0363 14.6816 14.6816 15.4402 15.4402 15.7076 15.7076 k =-0.2784 0.8264 0.1964 ( 2406 PWs) bands (ev): -5.5120 -5.5120 -5.3499 -5.3499 3.2124 3.2124 3.7339 3.7339 4.2932 4.2932 4.7256 4.7256 4.8064 4.8064 5.6039 5.6039 6.1302 6.1302 6.6530 6.6530 6.9552 6.9552 7.2826 7.2826 7.6679 7.6679 7.7583 7.7583 8.3399 8.3399 9.0528 9.0528 9.3356 9.3356 9.5647 9.5647 13.0894 13.0894 14.5996 14.5996 15.5294 15.5294 15.6879 15.6879 k =-0.2784 0.8264 0.2127 ( 2401 PWs) bands (ev): -5.5105 -5.5105 -5.3518 -5.3518 3.2420 3.2420 3.7328 3.7328 4.3211 4.3211 4.7324 4.7324 4.8226 4.8226 5.6225 5.6225 6.1402 6.1402 6.6395 6.6395 6.9400 6.9400 7.2660 7.2660 7.6663 7.6663 7.7535 7.7535 8.2951 8.2951 8.9920 8.9920 9.2853 9.2853 9.5385 9.5385 13.1433 13.1433 14.5164 14.5164 15.6066 15.6066 15.6867 15.6867 k =-0.2784 0.8264 0.2291 ( 2401 PWs) bands (ev): -5.5088 -5.5088 -5.3538 -5.3538 3.2735 3.2735 3.7330 3.7330 4.3491 4.3491 4.7382 4.7382 4.8409 4.8409 5.6423 5.6423 6.1502 6.1502 6.6261 6.6261 6.9248 6.9248 7.2486 7.2486 7.6636 7.6636 7.7487 7.7487 8.2489 8.2489 8.9263 8.9263 9.2353 9.2353 9.5101 9.5101 13.1971 13.1971 14.4337 14.4337 15.6158 15.6158 15.7597 15.7597 k =-0.2784 0.8264 0.2455 ( 2405 PWs) bands (ev): -5.5070 -5.5070 -5.3560 -5.3560 3.3070 3.3070 3.7346 3.7346 4.3771 4.3771 4.7428 4.7428 4.8612 4.8612 5.6633 5.6633 6.1599 6.1599 6.6132 6.6132 6.9098 6.9098 7.2306 7.2306 7.6596 7.6596 7.7438 7.7438 8.2018 8.2018 8.8564 8.8564 9.1858 9.1858 9.4798 9.4798 13.2499 13.2499 14.3525 14.3525 15.5990 15.5990 15.8648 15.8648 k =-0.2784 0.8264 0.2618 ( 2407 PWs) bands (ev): -5.5051 -5.5051 -5.3583 -5.3583 3.3423 3.3423 3.7377 3.7377 4.4048 4.4048 4.7461 4.7461 4.8836 4.8836 5.6854 5.6854 6.1691 6.1691 6.6011 6.6011 6.8954 6.8954 7.2120 7.2120 7.6539 7.6539 7.7390 7.7390 8.1542 8.1542 8.7831 8.7831 9.1368 9.1368 9.4475 9.4475 13.3006 13.3006 14.2736 14.2736 15.5816 15.5816 15.9769 15.9769 k =-0.2784 0.8264 0.2782 ( 2409 PWs) bands (ev): -5.5030 -5.5030 -5.3607 -5.3607 3.3794 3.3794 3.7423 3.7423 4.4319 4.4319 4.7479 4.7479 4.9080 4.9080 5.7086 5.7086 6.1775 6.1775 6.5900 6.5900 6.8819 6.8819 7.1928 7.1928 7.6466 7.6466 7.7340 7.7340 8.1065 8.1065 8.7069 8.7069 9.0885 9.0885 9.4134 9.4134 13.3483 13.3483 14.1974 14.1974 15.5680 15.5680 16.0922 16.0922 k =-0.2784 0.8264 0.2946 ( 2409 PWs) bands (ev): -5.5009 -5.5009 -5.3633 -5.3633 3.4180 3.4180 3.7484 3.7484 4.4584 4.4584 4.7481 4.7481 4.9345 4.9345 5.7328 5.7328 6.1850 6.1850 6.5801 6.5801 6.8696 6.8696 7.1730 7.1730 7.6375 7.6375 7.7289 7.7289 8.0592 8.0592 8.6288 8.6288 9.0408 9.0408 9.3776 9.3776 13.3921 13.3921 14.1244 14.1244 15.5600 15.5600 16.2092 16.2092 k =-0.2784 0.8264 0.3109 ( 2405 PWs) bands (ev): -5.4986 -5.4986 -5.3660 -5.3660 3.4581 3.4581 3.7560 3.7560 4.4839 4.4839 4.7466 4.7466 4.9630 4.9630 5.7578 5.7578 6.1912 6.1912 6.5718 6.5718 6.8587 6.8587 7.1529 7.1529 7.6266 7.6266 7.7232 7.7232 8.0128 8.0128 8.5493 8.5493 8.9937 8.9937 9.3401 9.3401 13.4312 13.4312 14.0549 14.0549 15.5592 15.5592 16.3266 16.3266 k =-0.2784 0.8264 0.3273 ( 2404 PWs) bands (ev): -5.4962 -5.4962 -5.3688 -5.3688 3.4995 3.4995 3.7652 3.7652 4.5082 4.5082 4.7433 4.7433 4.9935 4.9935 5.7836 5.7836 6.1960 6.1960 6.5650 6.5650 6.8496 6.8496 7.1324 7.1324 7.6139 7.6139 7.7164 7.7164 7.9681 7.9681 8.4692 8.4692 8.9474 8.9474 9.3012 9.3012 13.4648 13.4648 13.9890 13.9890 15.5666 15.5666 16.4433 16.4433 k =-0.2784 0.8264 0.3437 ( 2407 PWs) bands (ev): -5.4938 -5.4938 -5.3717 -5.3717 3.5421 3.5421 3.7758 3.7758 4.5311 4.5311 4.7380 4.7380 5.0259 5.0259 5.8099 5.8099 6.1994 6.1994 6.5598 6.5598 6.8424 6.8424 7.1117 7.1117 7.5993 7.5993 7.7076 7.7076 7.9259 7.9259 8.3890 8.3890 8.9021 8.9021 9.2610 9.2610 13.4925 13.4925 13.9269 13.9269 15.5830 15.5830 16.5580 16.5580 k =-0.2784 0.8264 0.3600 ( 2413 PWs) bands (ev): -5.4912 -5.4912 -5.3747 -5.3747 3.5856 3.5856 3.7879 3.7879 4.5523 4.5523 4.7309 4.7309 5.0602 5.0602 5.8367 5.8367 6.2014 6.2014 6.5560 6.5560 6.8371 6.8371 7.0908 7.0908 7.5829 7.5829 7.6958 7.6958 7.8874 7.8874 8.3096 8.3096 8.8580 8.8580 9.2196 9.2196 13.5139 13.5139 13.8687 13.8687 15.6088 15.6088 16.6696 16.6696 k =-0.2784 0.8264 0.3764 ( 2409 PWs) bands (ev): -5.4885 -5.4885 -5.3778 -5.3778 3.6299 3.6299 3.8014 3.8014 4.5716 4.5716 4.7218 4.7218 5.0964 5.0964 5.8636 5.8636 6.2021 6.2021 6.5536 6.5536 6.8339 6.8339 7.0701 7.0701 7.5649 7.5649 7.6798 7.6798 7.8542 7.8542 8.2315 8.2315 8.8152 8.8152 9.1774 9.1774 13.5292 13.5292 13.8145 13.8145 15.6443 15.6443 16.7766 16.7766 k =-0.2784 0.8264 0.3927 ( 2413 PWs) bands (ev): -5.4857 -5.4857 -5.3809 -5.3809 3.6747 3.6747 3.8164 3.8164 4.5886 4.5886 4.7110 4.7110 5.1344 5.1344 5.8904 5.8904 6.2018 6.2018 6.5524 6.5524 6.8324 6.8324 7.0496 7.0496 7.5452 7.5452 7.6587 7.6587 7.8272 7.8272 8.1555 8.1555 8.7740 8.7740 9.1346 9.1346 13.5386 13.5386 13.7643 13.7643 15.6892 15.6892 16.8776 16.8776 k =-0.2784 0.8264 0.4091 ( 2415 PWs) bands (ev): -5.4829 -5.4829 -5.3842 -5.3842 3.7198 3.7198 3.8327 3.8327 4.6030 4.6030 4.6986 4.6986 5.1742 5.1742 5.9166 5.9166 6.2008 6.2008 6.5520 6.5520 6.8322 6.8322 7.0297 7.0297 7.5240 7.5240 7.6324 7.6324 7.8065 7.8065 8.0823 8.0823 8.7346 8.7346 9.0915 9.0915 13.5426 13.5426 13.7182 13.7182 15.7430 15.7430 16.9711 16.9711 k =-0.2784 0.8264 0.4255 ( 2414 PWs) bands (ev): -5.4799 -5.4799 -5.3876 -5.3876 3.7649 3.7649 3.8504 3.8504 4.6144 4.6144 4.6850 4.6850 5.2157 5.2157 5.9417 5.9417 6.1997 6.1997 6.5522 6.5522 6.8329 6.8329 7.0108 7.0108 7.5014 7.5014 7.6024 7.6024 7.7907 7.7907 8.0128 8.0128 8.6973 8.6973 9.0484 9.0484 13.5418 13.5418 13.6761 13.6761 15.8050 15.8050 17.0555 17.0555 k =-0.2784 0.8264 0.4418 ( 2412 PWs) bands (ev): -5.4768 -5.4768 -5.3910 -5.3910 3.8095 3.8095 3.8694 3.8694 4.6218 4.6218 4.6713 4.6713 5.2588 5.2588 5.9647 5.9647 6.1995 6.1995 6.5526 6.5526 6.8336 6.8336 6.9932 6.9932 7.4775 7.4775 7.5705 7.5705 7.7781 7.7781 7.9480 7.9480 8.6621 8.6621 9.0056 9.0056 13.5368 13.5368 13.6381 13.6381 15.8743 15.8743 17.1291 17.1291 k =-0.2784 0.8264 0.4582 ( 2412 PWs) bands (ev): -5.4737 -5.4737 -5.3945 -5.3945 3.8531 3.8531 3.8899 3.8899 4.6232 4.6232 4.6596 4.6596 5.3034 5.3034 5.9846 5.9846 6.2009 6.2009 6.5527 6.5527 6.8337 6.8337 6.9775 6.9775 7.4523 7.4523 7.5387 7.5387 7.7668 7.7668 7.8890 7.8890 8.6293 8.6293 8.9636 8.9636 13.5285 13.5285 13.6042 13.6042 15.9500 15.9500 17.1906 17.1906 k =-0.2784 0.8264 0.4746 ( 2412 PWs) bands (ev): -5.4705 -5.4705 -5.3980 -5.3980 3.8940 3.8940 3.9129 3.9129 4.6161 4.6161 4.6526 4.6526 5.3494 5.3494 6.0001 6.0001 6.2053 6.2053 6.5519 6.5519 6.8327 6.8327 6.9641 6.9641 7.4257 7.4257 7.5084 7.5084 7.7550 7.7550 7.8376 7.8376 8.5989 8.5989 8.9228 8.9228 13.5175 13.5175 13.5745 13.5745 16.0312 16.0312 17.2386 17.2386 k =-0.2784 0.8264 0.4909 ( 2410 PWs) bands (ev): -5.4672 -5.4672 -5.4016 -5.4016 3.9262 3.9262 3.9439 3.9439 4.6023 4.6023 4.6489 4.6489 5.3966 5.3966 6.0096 6.0096 6.2137 6.2137 6.5495 6.5495 6.8303 6.8303 6.9531 6.9531 7.3977 7.3977 7.4809 7.4809 7.7393 7.7393 7.7970 7.7970 8.5712 8.5712 8.8837 8.8837 13.5046 13.5046 13.5488 13.5488 16.1168 16.1168 17.2723 17.2723 k =-0.2784 0.8264 0.5073 ( 2410 PWs) bands (ev): -5.4638 -5.4638 -5.4052 -5.4052 3.9507 3.9507 3.9808 3.9808 4.5862 4.5862 4.6448 4.6448 5.4447 5.4447 6.0125 6.0125 6.2266 6.2266 6.5448 6.5448 6.8268 6.8268 6.9447 6.9447 7.3686 7.3686 7.4565 7.4565 7.7170 7.7170 7.7705 7.7705 8.5462 8.5462 8.8466 8.8466 13.4905 13.4905 13.5269 13.5269 16.2059 16.2059 17.2911 17.2911 k =-0.2784 0.8264 0.5237 ( 2408 PWs) bands (ev): -5.4604 -5.4604 -5.4089 -5.4089 3.9740 3.9740 4.0164 4.0164 4.5700 4.5700 4.6388 4.6388 5.4936 5.4936 6.0086 6.0086 6.2437 6.2437 6.5371 6.5371 6.8227 6.8227 6.9385 6.9385 7.3391 7.3391 7.4352 7.4352 7.6919 7.6919 7.7542 7.7542 8.5239 8.5239 8.8123 8.8123 13.4763 13.4763 13.5083 13.5083 16.2974 16.2974 17.2949 17.2949 k =-0.2784 0.8264 0.5400 ( 2408 PWs) bands (ev): -5.4569 -5.4569 -5.4126 -5.4126 3.9972 3.9972 4.0484 4.0484 4.5553 4.5553 4.6304 4.6304 5.5428 5.5428 5.9984 5.9984 6.2640 6.2640 6.5261 6.5261 6.8187 6.8187 6.9344 6.9344 7.3104 7.3104 7.4164 7.4164 7.6707 7.6707 7.7419 7.7419 8.5044 8.5044 8.7812 8.7812 13.4630 13.4630 13.4923 13.4923 16.3903 16.3903 17.2842 17.2842 k =-0.2784 0.8264 0.5564 ( 2410 PWs) bands (ev): -5.4534 -5.4534 -5.4163 -5.4163 4.0200 4.0200 4.0756 4.0756 4.5433 4.5433 4.6198 4.6198 5.5920 5.5920 5.9826 5.9826 6.2865 6.2865 6.5119 6.5119 6.8150 6.8150 6.9322 6.9322 7.2837 7.2837 7.3995 7.3995 7.6559 7.6559 7.7306 7.7306 8.4878 8.4878 8.7537 8.7537 13.4514 13.4514 13.4787 13.4787 16.4834 16.4834 17.2599 17.2599 k =-0.2784 0.8264 0.5728 ( 2412 PWs) bands (ev): -5.4498 -5.4498 -5.4201 -5.4201 4.0421 4.0421 4.0967 4.0967 4.5350 4.5350 4.6071 4.6071 5.6406 5.6406 5.9616 5.9616 6.3102 6.3102 6.4946 6.4946 6.8119 6.8119 6.9317 6.9317 7.2600 7.2600 7.3843 7.3843 7.6479 7.6479 7.7194 7.7194 8.4742 8.4742 8.7305 8.7305 13.4420 13.4420 13.4671 13.4671 16.5754 16.5754 17.2235 17.2235 k =-0.2784 0.8264 0.5891 ( 2412 PWs) bands (ev): -5.4462 -5.4462 -5.4238 -5.4238 4.0629 4.0629 4.1109 4.1109 4.5314 4.5314 4.5931 4.5931 5.6879 5.6879 5.9361 5.9361 6.3346 6.3346 6.4750 6.4750 6.8094 6.8094 6.9325 6.9325 7.2404 7.2404 7.3713 7.3713 7.6459 7.6459 7.7082 7.7082 8.4635 8.4635 8.7120 8.7120 13.4348 13.4348 13.4576 13.4576 16.6645 16.6645 17.1770 17.1770 k =-0.2784 0.8264 0.6055 ( 2410 PWs) bands (ev): -5.4425 -5.4425 -5.4275 -5.4275 4.0819 4.0819 4.1177 4.1177 4.5329 4.5329 4.5783 4.5783 5.7330 5.7330 5.9070 5.9070 6.3592 6.3592 6.4537 6.4537 6.8075 6.8075 6.9338 6.9338 7.2256 7.2256 7.3612 7.3612 7.6483 7.6483 7.6973 7.6973 8.4558 8.4558 8.6984 8.6984 13.4300 13.4300 13.4506 13.4506 16.7475 16.7475 17.1241 17.1241 k =-0.2784 0.8264 0.6218 ( 2408 PWs) bands (ev): -5.4389 -5.4389 -5.4313 -5.4313 4.0978 4.0978 4.1174 4.1174 4.5391 4.5391 4.5640 4.5640 5.7729 5.7729 5.8767 5.8767 6.3836 6.3836 6.4311 6.4311 6.8063 6.8063 6.9350 6.9350 7.2165 7.2165 7.3548 7.3548 7.6530 7.6530 7.6881 7.6881 8.4511 8.4511 8.6902 8.6902 13.4272 13.4272 13.4461 13.4461 16.8163 16.8163 17.0731 17.0731 k =-0.2784 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4358 -5.4358 -5.4344 -5.4344 4.1079 4.1079 4.1126 4.1126 4.5462 4.5462 4.5541 4.5541 5.7941 5.7941 5.8586 5.8586 6.4064 6.4064 6.4089 6.4089 6.8059 6.8059 6.9355 6.9355 7.2134 7.2134 7.3526 7.3526 7.6557 7.6557 7.6839 7.6839 8.4496 8.4496 8.6874 8.6874 13.4263 13.4263 13.4446 13.4446 16.8477 16.8477 17.0477 17.0477 k =-0.2784 0.8264 0.6382 ( 2412 PWs) bands (ev): -5.4358 -5.4358 -5.4344 -5.4344 4.1079 4.1079 4.1126 4.1126 4.5462 4.5462 4.5541 4.5541 5.7941 5.7941 5.8586 5.8586 6.4064 6.4064 6.4089 6.4089 6.8059 6.8059 6.9355 6.9355 7.2134 7.2134 7.3526 7.3526 7.6557 7.6557 7.6839 7.6839 8.4496 8.4496 8.6874 8.6874 13.4263 13.4263 13.4446 13.4446 16.8477 16.8477 17.0477 17.0477 k =-0.2836 0.8108 0.6382 ( 2400 PWs) bands (ev): -5.4391 -5.4391 -5.4377 -5.4377 4.1162 4.1162 4.1176 4.1176 4.5169 4.5169 4.5265 4.5265 5.7796 5.7796 5.8548 5.8548 6.4019 6.4019 6.4179 6.4179 6.7925 6.7925 6.9217 6.9217 7.2264 7.2264 7.3572 7.3572 7.6712 7.6712 7.7009 7.7009 8.4864 8.4864 8.7221 8.7221 13.4764 13.4764 13.4956 13.4956 16.8226 16.8226 17.0230 17.0230 k =-0.2889 0.7951 0.6382 ( 2400 PWs) bands (ev): -5.4432 -5.4432 -5.4417 -5.4417 4.1189 4.1189 4.1212 4.1212 4.4913 4.4913 4.5033 4.5033 5.7642 5.7642 5.8495 5.8495 6.3956 6.3956 6.4263 6.4263 6.7810 6.7810 6.9084 6.9084 7.2403 7.2403 7.3623 7.3623 7.6878 7.6878 7.7193 7.7193 8.5247 8.5247 8.7578 8.7578 13.5298 13.5298 13.5498 13.5498 16.7955 16.7955 16.9955 16.9955 k =-0.2942 0.7794 0.6382 ( 2400 PWs) bands (ev): -5.4480 -5.4480 -5.4464 -5.4464 4.1146 4.1146 4.1210 4.1210 4.4716 4.4716 4.4864 4.4864 5.7480 5.7480 5.8427 5.8427 6.3881 6.3881 6.4339 6.4339 6.7714 6.7714 6.8959 6.8959 7.2550 7.2550 7.3676 7.3676 7.7055 7.7055 7.7391 7.7391 8.5642 8.5642 8.7943 8.7943 13.5862 13.5862 13.6071 13.6071 16.7660 16.7660 16.9651 16.9651 k =-0.2995 0.7637 0.6382 ( 2400 PWs) bands (ev): -5.4534 -5.4534 -5.4518 -5.4518 4.1034 4.1034 4.1136 4.1136 4.4594 4.4594 4.4770 4.4770 5.7311 5.7311 5.8344 5.8344 6.3798 6.3798 6.4407 6.4407 6.7636 6.7636 6.8842 6.8842 7.2703 7.2703 7.3732 7.3732 7.7246 7.7246 7.7604 7.7604 8.6043 8.6043 8.8314 8.8314 13.6455 13.6455 13.6673 13.6673 16.7340 16.7340 16.9316 16.9316 k =-0.3047 0.7481 0.6382 ( 2408 PWs) bands (ev): -5.4594 -5.4594 -5.4578 -5.4578 4.0846 4.0846 4.0981 4.0981 4.4561 4.4561 4.4759 4.4759 5.7136 5.7136 5.8245 5.8245 6.3713 6.3713 6.4469 6.4469 6.7573 6.7573 6.8736 6.8736 7.2860 7.2860 7.3789 7.3789 7.7451 7.7451 7.7833 7.7833 8.6450 8.6450 8.8686 8.8686 13.7073 13.7073 13.7302 13.7302 16.6995 16.6995 16.8950 16.8950 k =-0.3100 0.7324 0.6382 ( 2408 PWs) bands (ev): -5.4661 -5.4661 -5.4644 -5.4644 4.0587 4.0587 4.0744 4.0744 4.4614 4.4614 4.4827 4.4827 5.6959 5.6959 5.8129 5.8129 6.3633 6.3633 6.4523 6.4523 6.7523 6.7523 6.8642 6.8642 7.3020 7.3020 7.3849 7.3849 7.7672 7.7672 7.8079 7.8079 8.6857 8.6857 8.9058 8.9058 13.7715 13.7715 13.7955 13.7955 16.6625 16.6625 16.8554 16.8554 k =-0.3153 0.7167 0.6382 ( 2416 PWs) bands (ev): -5.4733 -5.4733 -5.4716 -5.4716 4.0269 4.0269 4.0438 4.0438 4.4742 4.4742 4.4961 4.4961 5.6778 5.6778 5.7996 5.7996 6.3561 6.3561 6.4569 6.4569 6.7482 6.7482 6.8561 6.8561 7.3182 7.3182 7.3910 7.3910 7.7910 7.7910 7.8341 7.8341 8.7264 8.7264 8.9426 8.9426 13.8377 13.8377 13.8629 13.8629 16.6232 16.6232 16.8130 16.8130 k =-0.3206 0.7011 0.6382 ( 2420 PWs) bands (ev): -5.4810 -5.4810 -5.4793 -5.4793 3.9903 3.9903 4.0078 4.0078 4.4929 4.4929 4.5149 4.5149 5.6596 5.6596 5.7848 5.7848 6.3501 6.3501 6.4610 6.4610 6.7449 6.7449 6.8492 6.8492 7.3345 7.3345 7.3974 7.3974 7.8168 7.8168 7.8620 7.8620 8.7667 8.7667 8.9790 8.9790 13.9054 13.9054 13.9320 13.9320 16.5818 16.5818 16.7683 16.7683 k =-0.3259 0.6854 0.6382 ( 2412 PWs) bands (ev): -5.4891 -5.4891 -5.4874 -5.4874 3.9503 3.9503 3.9680 3.9680 4.5160 4.5160 4.5377 4.5377 5.6414 5.6414 5.7686 5.7686 6.3456 6.3456 6.4644 6.4644 6.7423 6.7423 6.8438 6.8438 7.3508 7.3508 7.4040 7.4040 7.8446 7.8446 7.8918 7.8918 8.8066 8.8066 9.0147 9.0147 13.9743 13.9743 14.0024 14.0024 16.5387 16.5387 16.7216 16.7216 k =-0.3311 0.6697 0.6382 ( 2408 PWs) bands (ev): -5.4977 -5.4977 -5.4960 -5.4960 3.9079 3.9079 3.9254 3.9254 4.5423 4.5423 4.5636 4.5636 5.6232 5.6232 5.7511 5.7511 6.3427 6.3427 6.4672 6.4672 6.7402 6.7402 6.8397 6.8397 7.3668 7.3668 7.4106 7.4106 7.8744 7.8744 7.9233 7.9233 8.8457 8.8457 9.0496 9.0496 14.0438 14.0438 14.0734 14.0734 16.4945 16.4945 16.6738 16.6738 k =-0.3364 0.6541 0.6382 ( 2404 PWs) bands (ev): -5.5067 -5.5067 -5.5050 -5.5050 3.8637 3.8637 3.8809 3.8809 4.5709 4.5709 4.5918 4.5918 5.6053 5.6053 5.7324 5.7324 6.3414 6.3414 6.4693 6.4693 6.7386 6.7386 6.8369 6.8369 7.3826 7.3826 7.4175 7.4175 7.9065 7.9065 7.9568 7.9568 8.8839 8.8839 9.0835 9.0835 14.1131 14.1131 14.1444 14.1444 16.4497 16.4497 16.6254 16.6254 k =-0.3417 0.6384 0.6382 ( 2404 PWs) bands (ev): -5.5159 -5.5159 -5.5143 -5.5143 3.8184 3.8184 3.8351 3.8351 4.6010 4.6010 4.6215 4.6215 5.5876 5.5876 5.7129 5.7129 6.3417 6.3417 6.4709 6.4709 6.7374 6.7374 6.8356 6.8356 7.3979 7.3979 7.4245 7.4245 7.9409 7.9409 7.9921 7.9921 8.9212 8.9212 9.1162 9.1162 14.1816 14.1816 14.2147 14.2147 16.4053 16.4053 16.5775 16.5775 k =-0.3470 0.6227 0.6382 ( 2412 PWs) bands (ev): -5.5255 -5.5255 -5.5238 -5.5238 3.7724 3.7724 3.7886 3.7886 4.6322 4.6322 4.6523 4.6523 5.5703 5.5703 5.6928 5.6928 6.3433 6.3433 6.4718 6.4718 6.7368 6.7368 6.8355 6.8355 7.4128 7.4128 7.4316 7.4316 7.9776 7.9776 8.0294 8.0294 8.9572 8.9572 9.1477 9.1477 14.2482 14.2482 14.2833 14.2833 16.3623 16.3623 16.5311 16.5311 k =-0.3522 0.6071 0.6382 ( 2402 PWs) bands (ev): -5.5353 -5.5353 -5.5336 -5.5336 3.7261 3.7261 3.7418 3.7418 4.6639 4.6639 4.6837 4.6837 5.5535 5.5535 5.6722 5.6722 6.3463 6.3463 6.4723 6.4723 6.7367 6.7367 6.8369 6.8369 7.4272 7.4272 7.4389 7.4389 8.0168 8.0168 8.0687 8.0687 8.9922 8.9922 9.1779 9.1779 14.3120 14.3120 14.3491 14.3491 16.3218 16.3218 16.4873 16.4873 k =-0.3575 0.5914 0.6382 ( 2394 PWs) bands (ev): -5.5453 -5.5453 -5.5436 -5.5436 3.6798 3.6798 3.6949 3.6949 4.6957 4.6957 4.7154 4.7154 5.5373 5.5373 5.6515 5.6515 6.3502 6.3502 6.4722 6.4722 6.7373 6.7373 6.8396 6.8396 7.4411 7.4411 7.4463 7.4463 8.0585 8.0585 8.1102 8.1102 9.0258 9.0258 9.2067 9.2067 14.3716 14.3716 14.4106 14.4106 16.2852 16.2852 16.4475 16.4475 k =-0.3628 0.5757 0.6382 ( 2394 PWs) bands (ev): -5.5554 -5.5554 -5.5538 -5.5538 3.6338 3.6338 3.6482 3.6482 4.7272 4.7272 4.7469 4.7469 5.5217 5.5217 5.6309 5.6309 6.3549 6.3549 6.4715 6.4715 6.7387 6.7387 6.8435 6.8435 7.4537 7.4537 7.4543 7.4543 8.1026 8.1026 8.1537 8.1537 9.0580 9.0580 9.2341 9.2341 14.4256 14.4256 14.4664 14.4664 16.2541 16.2541 16.4133 16.4133 k =-0.3681 0.5601 0.6382 ( 2402 PWs) bands (ev): -5.5656 -5.5656 -5.5640 -5.5640 3.5882 3.5882 3.6020 3.6020 4.7582 4.7582 4.7780 4.7780 5.5070 5.5070 5.6105 5.6105 6.3601 6.3601 6.4701 6.4701 6.7409 6.7409 6.8487 6.8487 7.4611 7.4611 7.4669 7.4669 8.1490 8.1490 8.1992 8.1992 9.0889 9.0889 9.2599 9.2599 14.4726 14.4726 14.5147 14.5147 16.2302 16.2302 16.3861 16.3861 k =-0.3734 0.5444 0.6382 ( 2406 PWs) bands (ev): -5.5758 -5.5758 -5.5743 -5.5743 3.5432 3.5432 3.5564 3.5564 4.7883 4.7883 4.8084 4.8084 5.4932 5.4932 5.5906 5.5906 6.3655 6.3655 6.4683 6.4683 6.7443 6.7443 6.8551 6.8551 7.4687 7.4687 7.4789 7.4789 8.1978 8.1978 8.2467 8.2467 9.1183 9.1183 9.2843 9.2843 14.5108 14.5108 14.5537 14.5537 16.2154 16.2154 16.3676 16.3676 k =-0.3786 0.5287 0.6382 ( 2402 PWs) bands (ev): -5.5860 -5.5860 -5.5845 -5.5845 3.4991 3.4991 3.5116 3.5116 4.8173 4.8173 4.8378 4.8378 5.4805 5.4805 5.5714 5.5714 6.3709 6.3709 6.4659 6.4659 6.7490 6.7490 6.8626 6.8626 7.4762 7.4762 7.4903 7.4903 8.2489 8.2489 8.2963 8.2963 9.1463 9.1463 9.3071 9.3071 14.5390 14.5390 14.5819 14.5819 16.2112 16.2112 16.3592 16.3592 k =-0.3839 0.5131 0.6382 ( 2398 PWs) bands (ev): -5.5962 -5.5962 -5.5947 -5.5947 3.4559 3.4559 3.4678 3.4678 4.8448 4.8448 4.8659 4.8659 5.4690 5.4690 5.5532 5.5532 6.3761 6.3761 6.4630 6.4630 6.7549 6.7549 6.8712 6.8712 7.4837 7.4837 7.5011 7.5011 8.3022 8.3022 8.3479 8.3479 9.1729 9.1729 9.3283 9.3283 14.5559 14.5559 14.5980 14.5980 16.2189 16.2189 16.3621 16.3621 k =-0.3892 0.4974 0.6382 ( 2398 PWs) bands (ev): -5.6062 -5.6062 -5.6048 -5.6048 3.4138 3.4138 3.4251 3.4251 4.8707 4.8707 4.8925 4.8925 5.4588 5.4588 5.5360 5.5360 6.3808 6.3808 6.4597 6.4597 6.7623 6.7623 6.8807 6.8807 7.4911 7.4911 7.5113 7.5113 8.3575 8.3575 8.4013 8.4013 9.1980 9.1980 9.3481 9.3481 14.5608 14.5608 14.6012 14.6012 16.2392 16.2392 16.3768 16.3768 k =-0.3945 0.4817 0.6382 ( 2398 PWs) bands (ev): -5.6162 -5.6162 -5.6147 -5.6147 3.3730 3.3730 3.3837 3.3837 4.8948 4.8948 4.9174 4.9174 5.4499 5.4499 5.5201 5.5201 6.3848 6.3848 6.4559 6.4559 6.7711 6.7711 6.8909 6.8909 7.4984 7.4984 7.5208 7.5208 8.4147 8.4147 8.4566 8.4566 9.2218 9.2218 9.3663 9.3663 14.5537 14.5537 14.5917 14.5917 16.2720 16.2720 16.4035 16.4035 k =-0.3997 0.4661 0.6382 ( 2396 PWs) bands (ev): -5.6259 -5.6259 -5.6245 -5.6245 3.3335 3.3335 3.3436 3.3436 4.9168 4.9168 4.9404 4.9404 5.4425 5.4425 5.5057 5.5057 6.3882 6.3882 6.4518 6.4518 6.7813 6.7813 6.9018 6.9018 7.5055 7.5055 7.5297 7.5297 8.4736 8.4736 8.5134 8.5134 9.2441 9.2441 9.3830 9.3830 14.5351 14.5351 14.5700 14.5700 16.3166 16.3166 16.4416 16.4416 k =-0.4050 0.4504 0.6382 ( 2400 PWs) bands (ev): -5.6353 -5.6353 -5.6340 -5.6340 3.2955 3.2955 3.3049 3.3049 4.9365 4.9365 4.9613 4.9613 5.4367 5.4367 5.4928 5.4928 6.3907 6.3907 6.4474 6.4474 6.7928 6.7928 6.9132 6.9132 7.5125 7.5125 7.5380 7.5380 8.5339 8.5339 8.5717 8.5717 9.2650 9.2650 9.3982 9.3982 14.5059 14.5059 14.5376 14.5376 16.3716 16.3716 16.4901 16.4901 k =-0.4103 0.4347 0.6382 ( 2404 PWs) bands (ev): -5.6445 -5.6445 -5.6433 -5.6433 3.2590 3.2590 3.2679 3.2679 4.9541 4.9541 4.9799 4.9799 5.4324 5.4324 5.4817 5.4817 6.3925 6.3925 6.4427 6.4427 6.8055 6.8055 6.9248 6.9248 7.5193 7.5193 7.5457 7.5457 8.5954 8.5954 8.6311 8.6311 9.2846 9.2846 9.4121 9.4121 14.4675 14.4675 14.4958 14.4958 16.4356 16.4356 16.5474 16.5474 k =-0.4156 0.4191 0.6382 ( 2408 PWs) bands (ev): -5.6534 -5.6534 -5.6522 -5.6522 3.2242 3.2242 3.2324 3.2324 4.9693 4.9693 4.9961 4.9961 5.4298 5.4298 5.4723 5.4723 6.3935 6.3935 6.4378 6.4378 6.8193 6.8193 6.9366 6.9366 7.5260 7.5260 7.5529 7.5529 8.6577 8.6577 8.6915 8.6915 9.3030 9.3030 9.4245 9.4245 14.4213 14.4213 14.4465 14.4465 16.5067 16.5067 16.6122 16.6122 k =-0.4208 0.4034 0.6382 ( 2408 PWs) bands (ev): -5.6620 -5.6620 -5.6608 -5.6608 3.1911 3.1911 3.1988 3.1988 4.9823 4.9823 5.0099 5.0099 5.4286 5.4286 5.4648 5.4648 6.3939 6.3939 6.4329 6.4329 6.8340 6.8340 6.9484 6.9484 7.5324 7.5324 7.5595 7.5595 8.7206 8.7206 8.7524 8.7524 9.3201 9.3201 9.4356 9.4356 14.3690 14.3690 14.3913 14.3913 16.5834 16.5834 16.6827 16.6827 k =-0.4261 0.3877 0.6382 ( 2408 PWs) bands (ev): -5.6701 -5.6701 -5.6690 -5.6690 3.1598 3.1598 3.1669 3.1669 4.9931 4.9931 5.0213 5.0213 5.4289 5.4289 5.4592 5.4592 6.3937 6.3937 6.4280 6.4280 6.8493 6.8493 6.9599 6.9599 7.5387 7.5387 7.5655 7.5655 8.7834 8.7834 8.8135 8.8135 9.3360 9.3360 9.4455 9.4455 14.3121 14.3121 14.3316 14.3316 16.6639 16.6639 16.7574 16.7574 k =-0.4314 0.3721 0.6382 ( 2408 PWs) bands (ev): -5.6778 -5.6778 -5.6768 -5.6768 3.1304 3.1304 3.1370 3.1370 5.0019 5.0019 5.0303 5.0303 5.4303 5.4303 5.4553 5.4553 6.3930 6.3930 6.4230 6.4230 6.8650 6.8650 6.9710 6.9710 7.5446 7.5446 7.5709 7.5709 8.8460 8.8460 8.8744 8.8744 9.3508 9.3508 9.4541 9.4541 14.2519 14.2519 14.2691 14.2691 16.7469 16.7469 16.8347 16.8347 k =-0.4367 0.3564 0.6382 ( 2416 PWs) bands (ev): -5.6851 -5.6851 -5.6842 -5.6842 3.1030 3.1030 3.1090 3.1090 5.0090 5.0090 5.0371 5.0371 5.4328 5.4328 5.4530 5.4530 6.3920 6.3920 6.4182 6.4182 6.8810 6.8810 6.9816 6.9816 7.5503 7.5503 7.5758 7.5758 8.9077 8.9077 8.9344 8.9344 9.3646 9.3646 9.4616 9.4616 14.1899 14.1899 14.2049 14.2049 16.8309 16.8309 16.9132 16.9132 k =-0.4420 0.3407 0.6382 ( 2418 PWs) bands (ev): -5.6919 -5.6919 -5.6910 -5.6910 3.0775 3.0775 3.0830 3.0830 5.0145 5.0145 5.0420 5.0420 5.4361 5.4361 5.4522 5.4522 6.3907 6.3907 6.4135 6.4135 6.8969 6.8969 6.9915 6.9915 7.5557 7.5557 7.5801 7.5801 8.9679 8.9679 8.9932 8.9932 9.3773 9.3773 9.4679 9.4679 14.1273 14.1273 14.1404 14.1404 16.9148 16.9148 16.9916 16.9916 k =-0.4472 0.3251 0.6382 ( 2410 PWs) bands (ev): -5.6982 -5.6982 -5.6974 -5.6974 3.0541 3.0541 3.0590 3.0590 5.0187 5.0187 5.0451 5.0451 5.4399 5.4399 5.4525 5.4525 6.3893 6.3893 6.4090 6.4090 6.9126 6.9126 7.0006 7.0006 7.5609 7.5609 7.5840 7.5840 9.0262 9.0262 9.0501 9.0501 9.3892 9.3892 9.4733 9.4733 14.0653 14.0653 14.0768 14.0768 16.9971 16.9971 17.0684 17.0684 k =-0.4525 0.3094 0.6382 ( 2414 PWs) bands (ev): -5.7040 -5.7040 -5.7032 -5.7032 3.0328 3.0328 3.0372 3.0372 5.0219 5.0219 5.0468 5.0468 5.4440 5.4440 5.4537 5.4537 6.3877 6.3877 6.4047 6.4047 6.9279 6.9279 7.0086 7.0086 7.5658 7.5658 7.5872 7.5872 9.0817 9.0817 9.1044 9.1044 9.4002 9.4002 9.4777 9.4777 14.0050 14.0050 14.0150 14.0150 17.0769 17.0769 17.1425 17.1425 k =-0.4578 0.2937 0.6382 ( 2414 PWs) bands (ev): -5.7092 -5.7092 -5.7085 -5.7085 3.0137 3.0137 3.0176 3.0176 5.0243 5.0243 5.0473 5.0473 5.4483 5.4483 5.4556 5.4556 6.3862 6.3862 6.4008 6.4008 6.9426 6.9426 7.0156 7.0156 7.5703 7.5703 7.5900 7.5900 9.1340 9.1340 9.1554 9.1554 9.4105 9.4105 9.4812 9.4812 13.9477 13.9477 13.9563 13.9563 17.1529 17.1529 17.2126 17.2126 k =-0.4631 0.2781 0.6382 ( 2426 PWs) bands (ev): -5.7138 -5.7138 -5.7133 -5.7133 2.9967 2.9967 3.0001 3.0001 5.0261 5.0261 5.0468 5.0468 5.4524 5.4524 5.4579 5.4579 6.3848 6.3848 6.3971 6.3971 6.9564 6.9564 7.0212 7.0212 7.5746 7.5746 7.5922 7.5922 9.1821 9.1821 9.2023 9.2023 9.4201 9.4201 9.4838 9.4838 13.8941 13.8941 13.9015 13.9015 17.2240 17.2240 17.2774 17.2774 k =-0.4683 0.2624 0.6382 ( 2426 PWs) bands (ev): -5.7179 -5.7179 -5.7174 -5.7174 2.9820 2.9820 2.9849 2.9849 5.0275 5.0275 5.0457 5.0457 5.4564 5.4564 5.4604 5.4604 6.3835 6.3835 6.3937 6.3937 6.9694 6.9694 7.0257 7.0257 7.5785 7.5785 7.5940 7.5940 9.2256 9.2256 9.2444 9.2444 9.4292 9.4292 9.4857 9.4857 13.8455 13.8455 13.8517 13.8517 17.2891 17.2891 17.3359 17.3359 k =-0.4736 0.2467 0.6382 ( 2422 PWs) bands (ev): -5.7213 -5.7213 -5.7209 -5.7209 2.9695 2.9695 2.9719 2.9719 5.0287 5.0287 5.0442 5.0442 5.4600 5.4600 5.4628 5.4628 6.3825 6.3825 6.3908 6.3908 6.9814 6.9814 7.0288 7.0288 7.5820 7.5820 7.5952 7.5952 9.2638 9.2638 9.2808 9.2808 9.4379 9.4379 9.4867 9.4867 13.8026 13.8026 13.8077 13.8077 17.3470 17.3470 17.3868 17.3868 k =-0.4789 0.2311 0.6382 ( 2426 PWs) bands (ev): -5.7242 -5.7242 -5.7238 -5.7238 2.9593 2.9593 2.9613 2.9613 5.0298 5.0298 5.0424 5.0424 5.4630 5.4630 5.4650 5.4650 6.3817 6.3817 6.3882 6.3882 6.9923 6.9923 7.0305 7.0305 7.5852 7.5852 7.5959 7.5959 9.2960 9.2960 9.3108 9.3108 9.4465 9.4465 9.4869 9.4869 13.7664 13.7664 13.7704 13.7704 17.3969 17.3969 17.4292 17.4292 k =-0.4842 0.2154 0.6382 ( 2426 PWs) bands (ev): -5.7264 -5.7264 -5.7261 -5.7261 2.9514 2.9514 2.9529 2.9529 5.0310 5.0310 5.0405 5.0405 5.4655 5.4655 5.4668 5.4668 6.3812 6.3812 6.3860 6.3860 7.0020 7.0020 7.0309 7.0309 7.5881 7.5881 7.5962 7.5962 9.3218 9.3218 9.3338 9.3338 9.4549 9.4549 9.4862 9.4862 13.7375 13.7375 13.7404 13.7404 17.4377 17.4377 17.4622 17.4622 k =-0.4894 0.1997 0.6382 ( 2422 PWs) bands (ev): -5.7279 -5.7279 -5.7278 -5.7278 2.9459 2.9459 2.9468 2.9468 5.0322 5.0322 5.0386 5.0386 5.4673 5.4673 5.4681 5.4681 6.3811 6.3811 6.3842 6.3842 7.0104 7.0104 7.0297 7.0297 7.5905 7.5905 7.5960 7.5960 9.3410 9.3410 9.3495 9.3495 9.4630 9.4630 9.4844 9.4844 13.7165 13.7165 13.7185 13.7185 17.4686 17.4686 17.4852 17.4852 k =-0.4947 0.1841 0.6382 ( 2422 PWs) bands (ev): -5.7289 -5.7289 -5.7288 -5.7288 2.9426 2.9426 2.9431 2.9431 5.0336 5.0336 5.0368 5.0368 5.4685 5.4685 5.4689 5.4689 6.3813 6.3813 6.3829 6.3829 7.0174 7.0174 7.0271 7.0271 7.5925 7.5925 7.5953 7.5953 9.3534 9.3534 9.3578 9.3578 9.4704 9.4704 9.4812 9.4812 13.7039 13.7039 13.7049 13.7049 17.4891 17.4891 17.4974 17.4974 k =-0.5000 0.1684 0.6382 ( 2420 PWs) bands (ev): -5.7291 -5.7291 -5.7291 -5.7291 2.9417 2.9417 2.9417 2.9417 5.0351 5.0351 5.0351 5.0351 5.4691 5.4691 5.4691 5.4691 6.3819 6.3819 6.3819 6.3819 7.0229 7.0229 7.0229 7.0229 7.5941 7.5941 7.5941 7.5941 9.3590 9.3590 9.3590 9.3590 9.4765 9.4765 9.4765 9.4765 13.7000 13.7000 13.7000 13.7000 17.4988 17.4988 17.4988 17.4988 k =-0.5000 0.1684 0.6382 ( 2420 PWs) bands (ev): -5.7291 -5.7291 -5.7291 -5.7291 2.9417 2.9417 2.9417 2.9417 5.0351 5.0351 5.0351 5.0351 5.4691 5.4691 5.4691 5.4691 6.3819 6.3819 6.3819 6.3819 7.0229 7.0229 7.0229 7.0229 7.5941 7.5941 7.5941 7.5941 9.3590 9.3590 9.3590 9.3590 9.4765 9.4765 9.4765 9.4765 13.7000 13.7000 13.7000 13.7000 17.4988 17.4988 17.4988 17.4988 k =-0.5000 0.1684 0.6218 ( 2422 PWs) bands (ev): -5.7349 -5.7349 -5.7241 -5.7241 2.9292 2.9292 2.9580 2.9580 5.0177 5.0177 5.0529 5.0529 5.4695 5.4695 5.4706 5.4706 6.3770 6.3770 6.3858 6.3858 7.0073 7.0073 7.0384 7.0384 7.5713 7.5713 7.6165 7.6165 9.3471 9.3471 9.3661 9.3661 9.4570 9.4570 9.4932 9.4932 13.6479 13.6479 13.7565 13.7565 17.4759 17.4759 17.5045 17.5045 k =-0.5000 0.1684 0.6055 ( 2422 PWs) bands (ev): -5.7413 -5.7413 -5.7197 -5.7197 2.9205 2.9205 2.9780 2.9780 5.0010 5.0010 5.0711 5.0711 5.4720 5.4720 5.4742 5.4742 6.3712 6.3712 6.3888 6.3888 6.9916 6.9916 7.0536 7.0536 7.5481 7.5481 7.6382 7.6382 9.3305 9.3305 9.3679 9.3679 9.4351 9.4351 9.5068 9.5068 13.6001 13.6001 13.8174 13.8174 17.4363 17.4363 17.4939 17.4939 k =-0.5000 0.1684 0.5891 ( 2418 PWs) bands (ev): -5.7484 -5.7484 -5.7161 -5.7161 2.9157 2.9157 3.0017 3.0017 4.9848 4.9848 5.0895 5.0895 5.4764 5.4764 5.4798 5.4798 6.3645 6.3645 6.3907 6.3907 6.9758 6.9758 7.0686 7.0686 7.5246 7.5246 7.6595 7.6595 9.3095 9.3095 9.3637 9.3637 9.4119 9.4119 9.5171 9.5171 13.5563 13.5563 13.8828 13.8828 17.3813 17.3813 17.4684 17.4684 k =-0.5000 0.1684 0.5728 ( 2422 PWs) bands (ev): -5.7560 -5.7560 -5.7131 -5.7131 2.9148 2.9148 3.0289 3.0289 4.9695 4.9695 5.1081 5.1081 5.4829 5.4829 5.4874 5.4874 6.3569 6.3569 6.3916 6.3916 6.9600 6.9600 7.0831 7.0831 7.5009 7.5009 7.6801 7.6801 9.2842 9.2842 9.3515 9.3515 9.3895 9.3895 9.5239 9.5239 13.5166 13.5166 13.9527 13.9527 17.3127 17.3127 17.4303 17.4303 k =-0.5000 0.1684 0.5564 ( 2426 PWs) bands (ev): -5.7643 -5.7643 -5.7109 -5.7109 2.9178 2.9178 3.0596 3.0596 4.9549 4.9549 5.1267 5.1267 5.4913 5.4913 5.4970 5.4970 6.3486 6.3486 6.3914 6.3914 6.9441 6.9441 7.0973 7.0973 7.4770 7.4770 7.7000 7.7000 9.2548 9.2548 9.3292 9.3292 9.3700 9.3700 9.5271 9.5271 13.4806 13.4806 14.0269 14.0269 17.2325 17.2325 17.3821 17.3821 k =-0.5000 0.1684 0.5400 ( 2426 PWs) bands (ev): -5.7731 -5.7731 -5.7094 -5.7094 2.9246 2.9246 3.0936 3.0936 4.9414 4.9414 5.1453 5.1453 5.5017 5.5017 5.5085 5.5085 6.3396 6.3396 6.3902 6.3902 6.9283 6.9283 7.1109 7.1109 7.4530 7.4530 7.7192 7.7192 9.2217 9.2217 9.2990 9.2990 9.3517 9.3517 9.5266 9.5266 13.4481 13.4481 14.1055 14.1055 17.1428 17.1428 17.3259 17.3259 k =-0.5000 0.1684 0.5237 ( 2430 PWs) bands (ev): -5.7824 -5.7824 -5.7085 -5.7085 2.9354 2.9354 3.1307 3.1307 4.9291 4.9291 5.1637 5.1637 5.5140 5.5140 5.5221 5.5221 6.3300 6.3300 6.3879 6.3879 6.9127 6.9127 7.1239 7.1239 7.4290 7.4290 7.7374 7.7374 9.1851 9.1851 9.2640 9.2640 9.3316 9.3316 9.5222 9.5222 13.4188 13.4188 14.1883 14.1883 17.0455 17.0455 17.2638 17.2638 k =-0.5000 0.1684 0.5073 ( 2424 PWs) bands (ev): -5.7922 -5.7922 -5.7083 -5.7083 2.9500 2.9500 3.1707 3.1707 4.9180 4.9180 5.1819 5.1819 5.5282 5.5282 5.5376 5.5376 6.3198 6.3198 6.3847 6.3847 6.8971 6.8971 7.1362 7.1362 7.4052 7.4052 7.7548 7.7548 9.1452 9.1452 9.2257 9.2257 9.3086 9.3086 9.5141 9.5141 13.3926 13.3926 14.2751 14.2751 16.9425 16.9425 17.1974 17.1974 k =-0.5000 0.1684 0.4909 ( 2414 PWs) bands (ev): -5.8024 -5.8024 -5.7088 -5.7088 2.9684 2.9684 3.2136 3.2136 4.9084 4.9084 5.1997 5.1997 5.5444 5.5444 5.5551 5.5551 6.3092 6.3092 6.3804 6.3804 6.8817 6.8817 7.1475 7.1475 7.3818 7.3818 7.7711 7.7711 9.1023 9.1023 9.1849 9.1849 9.2825 9.2825 9.5020 9.5020 13.3690 13.3690 14.3658 14.3658 16.8353 16.8353 17.1281 17.1281 k =-0.5000 0.1684 0.4746 ( 2410 PWs) bands (ev): -5.8130 -5.8130 -5.7098 -5.7098 2.9905 2.9905 3.2589 3.2589 4.9003 4.9003 5.2171 5.2171 5.5624 5.5624 5.5745 5.5745 6.2983 6.2983 6.3750 6.3750 6.8666 6.8666 7.1575 7.1575 7.3590 7.3590 7.7865 7.7865 9.0565 9.0565 9.1420 9.1420 9.2531 9.2531 9.4859 9.4859 13.3477 13.3477 14.4601 14.4601 16.7256 16.7256 17.0570 17.0570 k =-0.5000 0.1684 0.4582 ( 2414 PWs) bands (ev): -5.8239 -5.8239 -5.7115 -5.7115 3.0162 3.0162 3.3064 3.3064 4.8939 4.8939 5.2338 5.2338 5.5820 5.5820 5.5957 5.5957 6.2871 6.2871 6.3687 6.3687 6.8516 6.8516 7.1659 7.1659 7.3372 7.3372 7.8007 7.8007 9.0080 9.0080 9.0974 9.0974 9.2206 9.2206 9.4658 9.4658 13.3284 13.3284 14.5577 14.5577 16.6147 16.6147 16.9850 16.9850 k =-0.5000 0.1684 0.4418 ( 2406 PWs) bands (ev): -5.8351 -5.8351 -5.7137 -5.7137 3.0456 3.0456 3.3559 3.3559 4.8896 4.8896 5.2499 5.2499 5.6035 5.6035 5.6188 5.6188 6.2758 6.2758 6.3613 6.3613 6.8370 6.8370 7.1719 7.1719 7.3171 7.3171 7.8137 7.8137 8.9569 8.9569 9.0517 9.0517 9.1853 9.1853 9.4418 9.4418 13.3108 13.3108 14.6580 14.6580 16.5041 16.5041 16.9132 16.9132 k =-0.5000 0.1684 0.4255 ( 2408 PWs) bands (ev): -5.8464 -5.8464 -5.7164 -5.7164 3.0785 3.0785 3.4069 3.4069 4.8874 4.8874 5.2652 5.2652 5.6265 5.6265 5.6435 5.6435 6.2645 6.2645 6.3529 6.3529 6.8226 6.8226 7.1745 7.1745 7.2997 7.2997 7.8255 7.8255 8.9031 8.9031 9.0051 9.0051 9.1474 9.1474 9.4137 9.4137 13.2946 13.2946 14.7604 14.7604 16.3953 16.3953 16.8422 16.8422 k =-0.5000 0.1684 0.4091 ( 2406 PWs) bands (ev): -5.8579 -5.8579 -5.7195 -5.7195 3.1147 3.1147 3.4591 3.4591 4.8878 4.8878 5.2796 5.2796 5.6512 5.6512 5.6699 5.6699 6.2533 6.2533 6.3436 6.3436 6.8086 6.8086 7.1725 7.1725 7.2862 7.2862 7.8361 7.8361 8.8469 8.8469 8.9582 8.9582 9.1071 9.1071 9.3817 9.3817 13.2793 13.2793 14.8641 14.8641 16.2898 16.2898 16.7728 16.7728 k =-0.5000 0.1684 0.3927 ( 2406 PWs) bands (ev): -5.8695 -5.8695 -5.7231 -5.7231 3.1543 3.1543 3.5120 3.5120 4.8909 4.8909 5.2930 5.2930 5.6772 5.6772 5.6978 5.6978 6.2425 6.2425 6.3334 6.3334 6.7949 6.7949 7.1650 7.1650 7.2774 7.2774 7.8454 7.8454 8.7882 8.7882 8.9113 8.9113 9.0648 9.0648 9.3458 9.3458 13.2646 13.2646 14.9674 14.9674 16.1897 16.1897 16.7056 16.7056 k =-0.5000 0.1684 0.3764 ( 2406 PWs) bands (ev): -5.8812 -5.8812 -5.7271 -5.7271 3.1970 3.1970 3.5652 3.5652 4.8971 4.8971 5.3052 5.3052 5.7047 5.7047 5.7271 5.7271 6.2322 6.2322 6.3223 6.3223 6.7817 6.7817 7.1522 7.1522 7.2732 7.2732 7.8535 7.8535 8.7271 8.7271 8.8647 8.8647 9.0209 9.0209 9.3060 9.3060 13.2503 13.2503 15.0679 15.0679 16.0980 16.0980 16.6411 16.6411 k =-0.5000 0.1684 0.3600 ( 2402 PWs) bands (ev): -5.8928 -5.8928 -5.7314 -5.7314 3.2427 3.2427 3.6181 3.6181 4.9068 4.9068 5.3162 5.3162 5.7333 5.7333 5.7576 5.7576 6.2227 6.2227 6.3105 6.3105 6.7688 6.7688 7.1356 7.1356 7.2720 7.2720 7.8603 7.8603 8.6640 8.6640 8.8187 8.8187 8.9758 8.9758 9.2626 9.2626 13.2362 13.2362 15.1612 15.1612 16.0194 16.0194 16.5799 16.5799 k =-0.5000 0.1684 0.3437 ( 2398 PWs) bands (ev): -5.9044 -5.9044 -5.7359 -5.7359 3.2914 3.2914 3.6701 3.6701 4.9203 4.9203 5.3258 5.3258 5.7628 5.7628 5.7890 5.7890 6.2143 6.2143 6.2979 6.2979 6.7565 6.7565 7.1165 7.1165 7.2723 7.2723 7.8659 7.8659 8.5989 8.5989 8.7732 8.7732 8.9298 8.9298 9.2155 9.2155 13.2218 13.2218 15.2398 15.2398 15.9617 15.9617 16.5224 16.5224 k =-0.5000 0.1684 0.3273 ( 2398 PWs) bands (ev): -5.9159 -5.9159 -5.7407 -5.7407 3.3427 3.3427 3.7207 3.7207 4.9380 4.9380 5.3340 5.3340 5.7930 5.7930 5.8210 5.8210 6.2073 6.2073 6.2849 6.2849 6.7447 6.7447 7.0960 7.0960 7.2733 7.2733 7.8702 7.8702 8.5320 8.5320 8.7283 8.7283 8.8836 8.8836 9.1651 9.1651 13.2071 13.2071 15.2923 15.2923 15.9366 15.9366 16.4692 16.4692 k =-0.5000 0.1684 0.3109 ( 2394 PWs) bands (ev): -5.9271 -5.9271 -5.7456 -5.7456 3.3967 3.3967 3.7693 3.7693 4.9603 4.9603 5.3405 5.3405 5.8232 5.8232 5.8532 5.8532 6.2024 6.2024 6.2718 6.2718 6.7334 6.7334 7.0748 7.0748 7.2738 7.2738 7.8734 7.8734 8.4636 8.4636 8.6841 8.6841 8.8377 8.8377 9.1116 9.1116 13.1919 13.1919 15.3084 15.3084 15.9541 15.9541 16.4207 16.4207 k =-0.5000 0.1684 0.2946 ( 2390 PWs) bands (ev): -5.9381 -5.9381 -5.7507 -5.7507 3.4531 3.4531 3.8154 3.8154 4.9874 4.9874 5.3452 5.3452 5.8527 5.8527 5.8851 5.8851 6.2004 6.2004 6.2590 6.2590 6.7227 6.7227 7.0532 7.0532 7.2736 7.2736 7.8756 7.8756 8.3939 8.3939 8.6402 8.6402 8.7925 8.7925 9.0552 9.0552 13.1761 13.1761 15.2894 15.2894 16.0124 16.0124 16.3778 16.3778 k =-0.5000 0.1684 0.2782 ( 2394 PWs) bands (ev): -5.9489 -5.9489 -5.7558 -5.7558 3.5116 3.5116 3.8583 3.8583 5.0193 5.0193 5.3479 5.3479 5.8800 5.8800 5.9164 5.9164 6.2020 6.2020 6.2476 6.2476 6.7127 6.7127 7.0316 7.0316 7.2724 7.2724 7.8767 7.8767 8.3232 8.3232 8.5965 8.5965 8.7486 8.7486 8.9964 8.9964 13.1597 13.1597 15.2466 15.2466 16.0980 16.0980 16.3429 16.3429 k =-0.5000 0.1684 0.2618 ( 2390 PWs) bands (ev): -5.9593 -5.9593 -5.7609 -5.7609 3.5722 3.5722 3.8979 3.8979 5.0564 5.0564 5.3486 5.3486 5.9032 5.9032 5.9469 5.9469 6.2075 6.2075 6.2395 6.2395 6.7034 6.7034 7.0102 7.0102 7.2698 7.2698 7.8769 7.8769 8.2517 8.2517 8.5528 8.5528 8.7065 8.7065 8.9358 8.9358 13.1427 13.1427 15.1914 15.1914 16.1874 16.1874 16.3282 16.3282 k =-0.5000 0.1684 0.2455 ( 2390 PWs) bands (ev): -5.9693 -5.9693 -5.7660 -5.7660 3.6345 3.6345 3.9338 3.9338 5.0983 5.0983 5.3470 5.3470 5.9202 5.9202 5.9761 5.9761 6.2137 6.2137 6.2403 6.2403 6.6949 6.6949 6.9890 6.9890 7.2656 7.2656 7.8760 7.8760 8.1799 8.1799 8.5091 8.5091 8.6662 8.6662 8.8740 8.8740 13.1251 13.1251 15.1312 15.1312 16.2241 16.2241 16.3827 16.3827 k =-0.5000 0.1684 0.2291 ( 2390 PWs) bands (ev): -5.9789 -5.9789 -5.7711 -5.7711 3.6983 3.6983 3.9659 3.9659 5.1447 5.1447 5.3429 5.3429 5.9298 5.9298 6.0035 6.0035 6.2164 6.2164 6.2565 6.2565 6.6872 6.6872 6.9680 6.9680 7.2597 7.2597 7.8737 7.8737 8.1083 8.1083 8.4654 8.4654 8.6276 8.6276 8.8121 8.8121 13.1071 13.1071 15.0701 15.0701 16.2124 16.2124 16.4978 16.4978 k =-0.5000 0.1684 0.2127 ( 2390 PWs) bands (ev): -5.9881 -5.9881 -5.7759 -5.7759 3.7634 3.7634 3.9943 3.9943 5.1950 5.1950 5.3361 5.3361 5.9318 5.9318 6.0277 6.0277 6.2209 6.2209 6.2841 6.2841 6.6805 6.6805 6.9475 6.9475 7.2520 7.2520 7.8690 7.8690 8.0383 8.0383 8.4221 8.4221 8.5898 8.5898 8.7515 8.7515 13.0889 13.0889 15.0104 15.0104 16.1934 16.1934 16.6300 16.6300 k =-0.5000 0.1684 0.1964 ( 2390 PWs) bands (ev): -5.9967 -5.9967 -5.7807 -5.7807 3.8293 3.8293 4.0192 4.0192 5.2483 5.2483 5.3264 5.3264 5.9274 5.9274 6.0476 6.0476 6.2317 6.2317 6.3190 6.3190 6.6750 6.6750 6.9273 6.9273 7.2422 7.2422 7.8586 7.8586 7.9734 7.9734 8.3793 8.3793 8.5512 8.5512 8.6945 8.6945 13.0706 13.0706 14.9534 14.9534 16.1752 16.1752 16.7692 16.7692 k =-0.5000 0.1684 0.1800 ( 2390 PWs) bands (ev): -6.0048 -6.0048 -5.7852 -5.7852 3.8957 3.8957 4.0409 4.0409 5.3023 5.3023 5.3151 5.3151 5.9181 5.9181 6.0629 6.0629 6.2496 6.2496 6.3593 6.3593 6.6707 6.6707 6.9076 6.9076 7.2304 7.2304 7.8319 7.8319 7.9243 7.9243 8.3377 8.3377 8.5098 8.5098 8.6438 8.6438 13.0524 13.0524 14.8999 14.8999 16.1594 16.1594 16.9129 16.9129 k =-0.5000 0.1684 0.1636 ( 2390 PWs) bands (ev): -6.0123 -6.0123 -5.7894 -5.7894 3.9618 3.9618 4.0600 4.0600 5.2965 5.2965 5.3613 5.3613 5.9054 5.9054 6.0747 6.0747 6.2737 6.2737 6.4033 6.4033 6.6680 6.6680 6.8883 6.8883 7.2164 7.2164 7.7797 7.7797 7.9005 7.9005 8.2975 8.2975 8.4642 8.4642 8.6017 8.6017 13.0347 13.0347 14.8505 14.8505 16.1461 16.1461 17.0596 17.0596 k =-0.5000 0.1684 0.1473 ( 2382 PWs) bands (ev): -6.0191 -6.0191 -5.7934 -5.7934 4.0255 4.0255 4.0784 4.0784 5.2769 5.2769 5.4175 5.4175 5.8910 5.8910 6.0849 6.0849 6.3019 6.3019 6.4499 6.4499 6.6673 6.6673 6.8697 6.8697 7.2004 7.2004 7.7140 7.7140 7.8902 7.8902 8.2589 8.2589 8.4153 8.4153 8.5683 8.5683 13.0177 13.0177 14.8054 14.8054 16.1353 16.1353 17.2087 17.2087 k =-0.5000 0.1684 0.1309 ( 2382 PWs) bands (ev): -6.0254 -6.0254 -5.7970 -5.7970 4.0732 4.0732 4.1096 4.1096 5.2538 5.2538 5.4721 5.4721 5.8759 5.8759 6.0950 6.0950 6.3322 6.3322 6.4975 6.4975 6.6690 6.6690 6.8519 6.8519 7.1822 7.1822 7.6442 7.6442 7.8841 7.8841 8.2219 8.2219 8.3659 8.3659 8.5419 8.5419 13.0016 13.0016 14.7648 14.7648 16.1267 16.1267 17.3595 17.3595 k =-0.5000 0.1684 0.1146 ( 2388 PWs) bands (ev): -6.0309 -6.0309 -5.8003 -5.8003 4.0914 4.0914 4.1665 4.1665 5.2276 5.2276 5.5234 5.5234 5.8611 5.8611 6.1061 6.1061 6.3630 6.3630 6.5439 6.5439 6.6741 6.6741 6.8357 6.8357 7.1621 7.1621 7.5735 7.5735 7.8793 7.8793 8.1862 8.1862 8.3195 8.3195 8.5209 8.5209 12.9867 12.9867 14.7289 14.7289 16.1200 16.1200 17.5117 17.5117 k =-0.5000 0.1684 0.0982 ( 2388 PWs) bands (ev): -6.0358 -6.0358 -5.8032 -5.8032 4.1018 4.1018 4.2270 4.2270 5.1989 5.1989 5.5698 5.5698 5.8476 5.8476 6.1191 6.1191 6.3930 6.3930 6.5860 6.5860 6.6840 6.6840 6.8229 6.8229 7.1405 7.1405 7.5033 7.5033 7.8750 7.8750 8.1515 8.1515 8.2789 8.2789 8.5038 8.5038 12.9732 12.9732 14.6978 14.6978 16.1150 16.1150 17.6646 17.6646 k =-0.5000 0.1684 0.0818 ( 2388 PWs) bands (ev): -6.0400 -6.0400 -5.8057 -5.8057 4.1094 4.1094 4.2850 4.2850 5.1687 5.1687 5.6099 5.6099 5.8358 5.8358 6.1337 6.1337 6.4211 6.4211 6.6191 6.6191 6.6982 6.6982 6.8182 6.8182 7.1181 7.1181 7.4344 7.4344 7.8711 7.8711 8.1181 8.1181 8.2457 8.2457 8.4899 8.4899 12.9614 12.9614 14.6714 14.6714 16.1113 16.1113 17.8170 17.8170 k =-0.5000 0.1684 0.0655 ( 2388 PWs) bands (ev): -6.0434 -6.0434 -5.8078 -5.8078 4.1151 4.1151 4.3382 4.3382 5.1384 5.1384 5.6429 5.6429 5.8261 5.8261 6.1494 6.1494 6.4464 6.4464 6.6414 6.6414 6.7091 6.7091 6.8301 6.8301 7.0954 7.0954 7.3679 7.3679 7.8675 7.8675 8.0872 8.0872 8.2203 8.2203 8.4789 8.4789 12.9515 12.9515 14.6498 14.6498 16.1087 16.1087 17.9562 17.9562 k =-0.5000 0.1684 0.0491 ( 2384 PWs) bands (ev): -6.0461 -6.0461 -5.8094 -5.8094 4.1194 4.1194 4.3843 4.3843 5.1101 5.1101 5.6682 5.6682 5.8187 5.8187 6.1647 6.1647 6.4680 6.4680 6.6561 6.6561 6.7095 6.7095 6.8621 6.8621 7.0730 7.0730 7.3054 7.3054 7.8645 7.8645 8.0605 8.0605 8.2021 8.2021 8.4705 8.4705 12.9436 12.9436 14.6330 14.6330 16.1069 16.1069 17.9878 17.9878 k =-0.5000 0.1684 0.0327 ( 2384 PWs) bands (ev): -6.0480 -6.0480 -5.8106 -5.8106 4.1223 4.1223 4.4206 4.4206 5.0865 5.0865 5.6858 5.6858 5.8136 5.8136 6.1777 6.1777 6.4851 6.4851 6.6655 6.6655 6.7043 6.7043 6.9056 6.9056 7.0508 7.0508 7.2503 7.2503 7.8622 7.8622 8.0399 8.0399 8.1899 8.1899 8.4645 8.4645 12.9379 12.9379 14.6210 14.6210 16.1058 16.1058 17.9887 17.9887 k =-0.5000 0.1684 0.0164 ( 2384 PWs) bands (ev): -6.0491 -6.0491 -5.8113 -5.8113 4.1240 4.1240 4.4442 4.4442 5.0705 5.0705 5.6961 5.6961 5.8107 5.8107 6.1865 6.1865 6.4963 6.4963 6.6699 6.6699 6.7000 6.7000 6.9511 6.9511 7.0269 7.0269 7.2095 7.2095 7.8607 7.8607 8.0269 8.0269 8.1830 8.1830 8.4610 8.4610 12.9344 12.9344 14.6138 14.6138 16.1051 16.1051 17.9884 17.9884 k =-0.5000 0.1684 0.0000 ( 2390 PWs) bands (ev): -6.0495 -6.0495 -5.8115 -5.8115 4.1246 4.1246 4.4524 4.4524 5.0649 5.0649 5.6994 5.6994 5.8097 5.8097 6.1896 6.1896 6.5002 6.5002 6.6707 6.6707 6.6987 6.6987 6.9837 6.9837 7.0036 7.0036 7.1937 7.1937 7.8602 7.8602 8.0224 8.0224 8.1807 8.1807 8.4597 8.4597 12.9332 12.9332 14.6114 14.6114 16.1049 16.1049 17.9882 17.9882 k = 0.0000 0.0000 0.6382 ( 2404 PWs) bands (ev): -5.8036 -5.8036 -5.8036 -5.8036 3.9866 3.9866 3.9866 3.9866 4.9136 4.9136 4.9136 4.9136 5.2640 5.2640 5.2640 5.2640 6.3263 6.3263 6.3263 6.3263 6.9521 6.9521 6.9521 6.9521 7.3185 7.3185 7.3185 7.3185 8.3356 8.3356 8.3356 8.3356 9.5472 9.5472 9.5472 9.5472 14.5738 14.5738 14.5738 14.5738 16.7187 16.7187 16.7187 16.7187 k =-0.0156 0.0053 0.6382 ( 2404 PWs) bands (ev): -5.8034 -5.8034 -5.8034 -5.8034 3.9825 3.9825 3.9825 3.9825 4.9148 4.9148 4.9148 4.9148 5.2645 5.2645 5.2645 5.2645 6.3272 6.3272 6.3272 6.3272 6.9538 6.9538 6.9538 6.9538 7.3182 7.3182 7.3182 7.3182 8.3373 8.3373 8.3373 8.3373 9.5467 9.5467 9.5467 9.5467 14.5721 14.5721 14.5721 14.5721 16.7212 16.7212 16.7212 16.7212 k =-0.0312 0.0105 0.6382 ( 2404 PWs) bands (ev): -5.8029 -5.8029 -5.8029 -5.8029 3.9705 3.9705 3.9705 3.9705 4.9181 4.9181 4.9181 4.9181 5.2658 5.2658 5.2658 5.2658 6.3297 6.3297 6.3297 6.3297 6.9590 6.9590 6.9590 6.9590 7.3172 7.3172 7.3172 7.3172 8.3425 8.3425 8.3425 8.3425 9.5454 9.5454 9.5454 9.5454 14.5669 14.5669 14.5669 14.5669 16.7285 16.7285 16.7285 16.7285 k =-0.0469 0.0158 0.6382 ( 2408 PWs) bands (ev): -5.8020 -5.8020 -5.8020 -5.8020 3.9510 3.9510 3.9510 3.9510 4.9234 4.9234 4.9234 4.9234 5.2680 5.2680 5.2680 5.2680 6.3335 6.3335 6.3335 6.3335 6.9675 6.9675 6.9675 6.9675 7.3157 7.3157 7.3157 7.3157 8.3511 8.3511 8.3511 8.3511 9.5431 9.5431 9.5431 9.5431 14.5583 14.5583 14.5583 14.5583 16.7406 16.7406 16.7406 16.7406 k =-0.0625 0.0211 0.6382 ( 2406 PWs) bands (ev): -5.8008 -5.8008 -5.8008 -5.8008 3.9246 3.9246 3.9246 3.9246 4.9302 4.9302 4.9302 4.9302 5.2711 5.2711 5.2711 5.2711 6.3386 6.3386 6.3386 6.3386 6.9793 6.9793 6.9793 6.9793 7.3138 7.3138 7.3138 7.3138 8.3632 8.3632 8.3632 8.3632 9.5400 9.5400 9.5400 9.5400 14.5464 14.5464 14.5464 14.5464 16.7573 16.7573 16.7573 16.7573 k =-0.0781 0.0263 0.6382 ( 2406 PWs) bands (ev): -5.7993 -5.7993 -5.7993 -5.7993 3.8923 3.8923 3.8923 3.8923 4.9380 4.9380 4.9380 4.9380 5.2750 5.2750 5.2750 5.2750 6.3445 6.3445 6.3445 6.3445 6.9940 6.9940 6.9940 6.9940 7.3115 7.3115 7.3115 7.3115 8.3790 8.3790 8.3790 8.3790 9.5360 9.5360 9.5360 9.5360 14.5311 14.5311 14.5311 14.5311 16.7785 16.7785 16.7785 16.7785 k =-0.0938 0.0316 0.6382 ( 2404 PWs) bands (ev): -5.7974 -5.7974 -5.7974 -5.7974 3.8549 3.8549 3.8549 3.8549 4.9465 4.9465 4.9465 4.9465 5.2797 5.2797 5.2797 5.2797 6.3509 6.3509 6.3509 6.3509 7.0114 7.0114 7.0114 7.0114 7.3091 7.3091 7.3091 7.3091 8.3984 8.3984 8.3984 8.3984 9.5313 9.5313 9.5313 9.5313 14.5128 14.5128 14.5128 14.5128 16.8039 16.8039 16.8039 16.8039 k =-0.1094 0.0368 0.6382 ( 2404 PWs) bands (ev): -5.7953 -5.7953 -5.7953 -5.7953 3.8132 3.8132 3.8132 3.8132 4.9552 4.9552 4.9552 4.9552 5.2852 5.2852 5.2852 5.2852 6.3573 6.3573 6.3573 6.3573 7.0308 7.0308 7.0308 7.0308 7.3068 7.3068 7.3068 7.3068 8.4214 8.4214 8.4214 8.4214 9.5259 9.5259 9.5259 9.5259 14.4914 14.4914 14.4914 14.4914 16.8333 16.8333 16.8333 16.8333 k =-0.1250 0.0421 0.6382 ( 2404 PWs) bands (ev): -5.7929 -5.7929 -5.7929 -5.7929 3.7682 3.7682 3.7682 3.7682 4.9638 4.9638 4.9638 4.9638 5.2914 5.2914 5.2914 5.2914 6.3635 6.3635 6.3635 6.3635 7.0514 7.0514 7.0514 7.0514 7.3051 7.3051 7.3051 7.3051 8.4482 8.4482 8.4482 8.4482 9.5198 9.5198 9.5198 9.5198 14.4672 14.4672 14.4672 14.4672 16.8663 16.8663 16.8663 16.8663 k =-0.1406 0.0474 0.6382 ( 2404 PWs) bands (ev): -5.7902 -5.7902 -5.7902 -5.7902 3.7207 3.7207 3.7207 3.7207 4.9721 4.9721 4.9721 4.9721 5.2982 5.2982 5.2982 5.2982 6.3693 6.3693 6.3693 6.3693 7.0724 7.0724 7.0724 7.0724 7.3046 7.3046 7.3046 7.3046 8.4788 8.4788 8.4788 8.4788 9.5131 9.5131 9.5131 9.5131 14.4402 14.4402 14.4402 14.4402 16.9025 16.9025 16.9025 16.9025 k =-0.1562 0.0526 0.6382 ( 2400 PWs) bands (ev): -5.7873 -5.7873 -5.7873 -5.7873 3.6713 3.6713 3.6713 3.6713 4.9800 4.9800 4.9800 4.9800 5.3057 5.3057 5.3057 5.3057 6.3744 6.3744 6.3744 6.3744 7.0924 7.0924 7.0924 7.0924 7.3061 7.3061 7.3061 7.3061 8.5133 8.5133 8.5133 8.5133 9.5059 9.5059 9.5059 9.5059 14.4107 14.4107 14.4107 14.4107 16.9416 16.9416 16.9416 16.9416 k =-0.1719 0.0579 0.6382 ( 2396 PWs) bands (ev): -5.7842 -5.7842 -5.7842 -5.7842 3.6208 3.6208 3.6208 3.6208 4.9873 4.9873 4.9873 4.9873 5.3137 5.3137 5.3137 5.3137 6.3788 6.3788 6.3788 6.3788 7.1098 7.1098 7.1098 7.1098 7.3106 7.3106 7.3106 7.3106 8.5514 8.5514 8.5514 8.5514 9.4983 9.4983 9.4983 9.4983 14.3788 14.3788 14.3788 14.3788 16.9832 16.9832 16.9832 16.9832 k =-0.1875 0.0632 0.6382 ( 2390 PWs) bands (ev): -5.7810 -5.7810 -5.7810 -5.7810 3.5697 3.5697 3.5697 3.5697 4.9940 4.9940 4.9940 4.9940 5.3222 5.3222 5.3222 5.3222 6.3825 6.3825 6.3825 6.3825 7.1233 7.1233 7.1233 7.1233 7.3191 7.3191 7.3191 7.3191 8.5933 8.5933 8.5933 8.5933 9.4904 9.4904 9.4904 9.4904 14.3447 14.3447 14.3447 14.3447 17.0267 17.0267 17.0267 17.0267 k =-0.2031 0.0684 0.6382 ( 2386 PWs) bands (ev): -5.7776 -5.7776 -5.7776 -5.7776 3.5186 3.5186 3.5186 3.5186 5.0000 5.0000 5.0000 5.0000 5.3312 5.3312 5.3312 5.3312 6.3853 6.3853 6.3853 6.3853 7.1320 7.1320 7.1320 7.1320 7.3319 7.3319 7.3319 7.3319 8.6386 8.6386 8.6386 8.6386 9.4822 9.4822 9.4822 9.4822 14.3086 14.3086 14.3086 14.3086 17.0716 17.0716 17.0716 17.0716 k =-0.2188 0.0737 0.6382 ( 2386 PWs) bands (ev): -5.7740 -5.7740 -5.7740 -5.7740 3.4679 3.4679 3.4679 3.4679 5.0053 5.0053 5.0053 5.0053 5.3406 5.3406 5.3406 5.3406 6.3875 6.3875 6.3875 6.3875 7.1358 7.1358 7.1358 7.1358 7.3486 7.3486 7.3486 7.3486 8.6871 8.6871 8.6871 8.6871 9.4738 9.4738 9.4738 9.4738 14.2706 14.2706 14.2706 14.2706 17.1173 17.1173 17.1173 17.1173 k =-0.2344 0.0789 0.6382 ( 2386 PWs) bands (ev): -5.7704 -5.7704 -5.7704 -5.7704 3.4180 3.4180 3.4180 3.4180 5.0100 5.0100 5.0100 5.0100 5.3502 5.3502 5.3502 5.3502 6.3890 6.3890 6.3890 6.3890 7.1354 7.1354 7.1354 7.1354 7.3683 7.3683 7.3683 7.3683 8.7385 8.7385 8.7385 8.7385 9.4654 9.4654 9.4654 9.4654 14.2312 14.2312 14.2312 14.2312 17.1631 17.1631 17.1631 17.1631 k =-0.2500 0.0842 0.6382 ( 2390 PWs) bands (ev): -5.7668 -5.7668 -5.7668 -5.7668 3.3693 3.3693 3.3693 3.3693 5.0141 5.0141 5.0141 5.0141 5.3600 5.3600 5.3600 5.3600 6.3899 6.3899 6.3899 6.3899 7.1318 7.1318 7.1318 7.1318 7.3898 7.3898 7.3898 7.3898 8.7924 8.7924 8.7924 8.7924 9.4570 9.4570 9.4570 9.4570 14.1904 14.1904 14.1904 14.1904 17.2084 17.2084 17.2084 17.2084 k =-0.2656 0.0895 0.6382 ( 2390 PWs) bands (ev): -5.7631 -5.7631 -5.7631 -5.7631 3.3221 3.3221 3.3221 3.3221 5.0177 5.0177 5.0177 5.0177 5.3700 5.3700 5.3700 5.3700 6.3903 6.3903 6.3903 6.3903 7.1258 7.1258 7.1258 7.1258 7.4119 7.4119 7.4119 7.4119 8.8483 8.8483 8.8483 8.8483 9.4488 9.4488 9.4488 9.4488 14.1487 14.1487 14.1487 14.1487 17.2524 17.2524 17.2524 17.2524 k =-0.2812 0.0947 0.6382 ( 2394 PWs) bands (ev): -5.7595 -5.7595 -5.7595 -5.7595 3.2768 3.2768 3.2768 3.2768 5.0209 5.0209 5.0209 5.0209 5.3800 5.3800 5.3800 5.3800 6.3903 6.3903 6.3903 6.3903 7.1181 7.1181 7.1181 7.1181 7.4339 7.4339 7.4339 7.4339 8.9055 8.9055 8.9055 8.9055 9.4407 9.4407 9.4407 9.4407 14.1063 14.1063 14.1063 14.1063 17.2943 17.2943 17.2943 17.2943 k =-0.2969 0.1000 0.6382 ( 2394 PWs) bands (ev): -5.7560 -5.7560 -5.7560 -5.7560 3.2336 3.2336 3.2336 3.2336 5.0235 5.0235 5.0235 5.0235 5.3899 5.3899 5.3899 5.3899 6.3900 6.3900 6.3900 6.3900 7.1095 7.1095 7.1095 7.1095 7.4553 7.4553 7.4553 7.4553 8.9635 8.9635 8.9635 8.9635 9.4330 9.4330 9.4330 9.4330 14.0636 14.0636 14.0636 14.0636 17.3333 17.3333 17.3333 17.3333 k =-0.3125 0.1053 0.6382 ( 2402 PWs) bands (ev): -5.7525 -5.7525 -5.7525 -5.7525 3.1927 3.1927 3.1927 3.1927 5.0258 5.0258 5.0258 5.0258 5.3997 5.3997 5.3997 5.3997 6.3894 6.3894 6.3894 6.3894 7.1001 7.1001 7.1001 7.1001 7.4754 7.4754 7.4754 7.4754 9.0214 9.0214 9.0214 9.0214 9.4257 9.4257 9.4257 9.4257 14.0211 14.0211 14.0211 14.0211 17.3687 17.3687 17.3687 17.3687 k =-0.3281 0.1105 0.6382 ( 2402 PWs) bands (ev): -5.7492 -5.7492 -5.7492 -5.7492 3.1544 3.1544 3.1544 3.1544 5.0277 5.0277 5.0277 5.0277 5.4093 5.4093 5.4093 5.4093 6.3887 6.3887 6.3887 6.3887 7.0904 7.0904 7.0904 7.0904 7.4943 7.4943 7.4943 7.4943 9.0785 9.0785 9.0785 9.0785 9.4189 9.4189 9.4189 9.4189 13.9791 13.9791 13.9791 13.9791 17.3998 17.3998 17.3998 17.3998 k =-0.3438 0.1158 0.6382 ( 2406 PWs) bands (ev): -5.7460 -5.7460 -5.7460 -5.7460 3.1187 3.1187 3.1187 3.1187 5.0293 5.0293 5.0293 5.0293 5.4184 5.4184 5.4184 5.4184 6.3878 6.3878 6.3878 6.3878 7.0808 7.0808 7.0808 7.0808 7.5116 7.5116 7.5116 7.5116 9.1340 9.1340 9.1340 9.1340 9.4129 9.4129 9.4129 9.4129 13.9381 13.9381 13.9381 13.9381 17.4262 17.4262 17.4262 17.4262 k =-0.3594 0.1210 0.6382 ( 2410 PWs) bands (ev): -5.7430 -5.7430 -5.7430 -5.7430 3.0861 3.0861 3.0861 3.0861 5.0306 5.0306 5.0306 5.0306 5.4271 5.4271 5.4271 5.4271 6.3869 6.3869 6.3869 6.3869 7.0712 7.0712 7.0712 7.0712 7.5274 7.5274 7.5274 7.5274 9.1869 9.1869 9.1869 9.1869 9.4078 9.4078 9.4078 9.4078 13.8986 13.8986 13.8986 13.8986 17.4478 17.4478 17.4478 17.4478 k =-0.3750 0.1263 0.6382 ( 2414 PWs) bands (ev): -5.7403 -5.7403 -5.7403 -5.7403 3.0564 3.0564 3.0564 3.0564 5.0317 5.0317 5.0317 5.0317 5.4352 5.4352 5.4352 5.4352 6.3860 6.3860 6.3860 6.3860 7.0622 7.0622 7.0622 7.0622 7.5415 7.5415 7.5415 7.5415 9.2359 9.2359 9.2359 9.2359 9.4040 9.4040 9.4040 9.4040 13.8613 13.8613 13.8613 13.8613 17.4646 17.4646 17.4646 17.4646 k =-0.3906 0.1316 0.6382 ( 2410 PWs) bands (ev): -5.7378 -5.7378 -5.7378 -5.7378 3.0300 3.0300 3.0300 3.0300 5.0326 5.0326 5.0326 5.0326 5.4427 5.4427 5.4427 5.4427 6.3852 6.3852 6.3852 6.3852 7.0538 7.0538 7.0538 7.0538 7.5539 7.5539 7.5539 7.5539 9.2796 9.2796 9.2796 9.2796 9.4025 9.4025 9.4025 9.4025 13.8266 13.8266 13.8266 13.8266 17.4771 17.4771 17.4771 17.4771 k =-0.4062 0.1368 0.6382 ( 2420 PWs) bands (ev): -5.7356 -5.7356 -5.7356 -5.7356 3.0068 3.0068 3.0068 3.0068 5.0334 5.0334 5.0334 5.0334 5.4494 5.4494 5.4494 5.4494 6.3843 6.3843 6.3843 6.3843 7.0460 7.0460 7.0460 7.0460 7.5646 7.5646 7.5646 7.5646 9.3155 9.3155 9.3155 9.3155 9.4049 9.4049 9.4049 9.4049 13.7951 13.7951 13.7951 13.7951 17.4859 17.4859 17.4859 17.4859 k =-0.4219 0.1421 0.6382 ( 2416 PWs) bands (ev): -5.7336 -5.7336 -5.7336 -5.7336 2.9871 2.9871 2.9871 2.9871 5.0339 5.0339 5.0339 5.0339 5.4552 5.4552 5.4552 5.4552 6.3837 6.3837 6.3837 6.3837 7.0393 7.0393 7.0393 7.0393 7.5737 7.5737 7.5737 7.5737 9.3399 9.3399 9.3399 9.3399 9.4142 9.4142 9.4142 9.4142 13.7673 13.7673 13.7673 13.7673 17.4916 17.4916 17.4916 17.4916 k =-0.4375 0.1474 0.6382 ( 2416 PWs) bands (ev): -5.7320 -5.7320 -5.7320 -5.7320 2.9708 2.9708 2.9708 2.9708 5.0344 5.0344 5.0344 5.0344 5.4601 5.4601 5.4601 5.4601 6.3830 6.3830 6.3830 6.3830 7.0336 7.0336 7.0336 7.0336 7.5811 7.5811 7.5811 7.5811 9.3521 9.3521 9.3521 9.3521 9.4305 9.4305 9.4305 9.4305 13.7438 13.7438 13.7438 13.7438 17.4952 17.4952 17.4952 17.4952 k =-0.4531 0.1526 0.6382 ( 2422 PWs) bands (ev): -5.7308 -5.7308 -5.7308 -5.7308 2.9581 2.9581 2.9581 2.9581 5.0346 5.0346 5.0346 5.0346 5.4640 5.4640 5.4640 5.4640 6.3825 6.3825 6.3825 6.3825 7.0290 7.0290 7.0290 7.0290 7.5868 7.5868 7.5868 7.5868 9.3568 9.3568 9.3568 9.3568 9.4485 9.4485 9.4485 9.4485 13.7249 13.7249 13.7249 13.7249 17.4972 17.4972 17.4972 17.4972 k =-0.4688 0.1579 0.6382 ( 2422 PWs) bands (ev): -5.7299 -5.7299 -5.7299 -5.7299 2.9490 2.9490 2.9490 2.9490 5.0349 5.0349 5.0349 5.0349 5.4668 5.4668 5.4668 5.4668 6.3822 6.3822 6.3822 6.3822 7.0256 7.0256 7.0256 7.0256 7.5909 7.5909 7.5909 7.5909 9.3584 9.3584 9.3584 9.3584 9.4636 9.4636 9.4636 9.4636 13.7112 13.7112 13.7112 13.7112 17.4982 17.4982 17.4982 17.4982 k =-0.4844 0.1632 0.6382 ( 2422 PWs) bands (ev): -5.7293 -5.7293 -5.7293 -5.7293 2.9435 2.9435 2.9435 2.9435 5.0350 5.0350 5.0350 5.0350 5.4685 5.4685 5.4685 5.4685 6.3820 6.3820 6.3820 6.3820 7.0236 7.0236 7.0236 7.0236 7.5933 7.5933 7.5933 7.5933 9.3589 9.3589 9.3589 9.3589 9.4732 9.4732 9.4732 9.4732 13.7028 13.7028 13.7028 13.7028 17.4986 17.4986 17.4986 17.4986 k =-0.5000 0.1684 0.6382 ( 2420 PWs) bands (ev): -5.7291 -5.7291 -5.7291 -5.7291 2.9417 2.9417 2.9417 2.9417 5.0351 5.0351 5.0351 5.0351 5.4691 5.4691 5.4691 5.4691 6.3819 6.3819 6.3819 6.3819 7.0229 7.0229 7.0229 7.0229 7.5941 7.5941 7.5941 7.5941 9.3590 9.3590 9.3590 9.3590 9.4765 9.4765 9.4765 9.4765 13.7000 13.7000 13.7000 13.7000 17.4988 17.4988 17.4988 17.4988 Writing output data file AgCl.save init_run : 0.19s CPU 0.30s WALL ( 1 calls) electrons : 122.53s CPU 124.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 122.52s CPU 124.81s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 456 calls) cegterg : 112.02s CPU 113.80s WALL ( 543 calls) Called by sum_band: Called by *egterg: h_psi : 59.20s CPU 60.64s WALL ( 9424 calls) s_psi : 4.83s CPU 4.68s WALL ( 9424 calls) g_psi : 0.12s CPU 0.15s WALL ( 8425 calls) cdiaghg : 46.04s CPU 46.50s WALL ( 8881 calls) cegterg:over : 3.72s CPU 3.87s WALL ( 8425 calls) cegterg:upda : 2.73s CPU 2.66s WALL ( 8425 calls) cegterg:last : 1.64s CPU 1.70s WALL ( 1455 calls) cdiaghg:chol : 2.52s CPU 2.45s WALL ( 8881 calls) cdiaghg:inve : 1.31s CPU 1.42s WALL ( 8881 calls) cdiaghg:para : 2.78s CPU 2.67s WALL ( 17762 calls) Called by h_psi: h_psi:vloc : 49.44s CPU 50.77s WALL ( 9424 calls) h_psi:vnl : 9.64s CPU 9.73s WALL ( 9424 calls) add_vuspsi : 5.35s CPU 5.39s WALL ( 9424 calls) General routines calbec : 4.27s CPU 4.31s WALL ( 9424 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.09s CPU 47.41s WALL ( 825408 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.18s WALL ( 912 calls) Parallel routines fft_scatter : 17.41s CPU 17.93s WALL ( 825431 calls) PWSCF : 2m17.80s CPU 2m35.36s WALL This run was terminated on: 18:22:23 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=