Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:12:17 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 18 5 550 405 65 Max 23 19 6 555 419 72 Sum 1095 897 273 26515 19813 3267 bravais-lattice index = 14 lattice parameter (alat) = 10.0905 a.u. unit-cell volume = 468.1557 (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)= 10.090525 celldm(2)= 1.000000 celldm(3)= 0.755102 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.797399 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.797399 0.603453 0.000000 ) a(3) = ( 0.000000 0.000000 0.755102 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.321393 -0.000000 ) b(2) = ( 0.000000 1.657130 -0.000000 ) b(3) = ( 0.000000 0.000000 1.324325 ) PseudoPot. # 1 for Cl read from file: /home/autes/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: /home/autes/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 ) ( -0.3775510 ) 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 ) ( 0.3775510 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 454 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 2) = ( 0.0053496 0.0159339 -0.0000000), wk = 0.0022026 k( 3) = ( 0.0106992 0.0318679 -0.0000000), wk = 0.0022026 k( 4) = ( 0.0160488 0.0478018 -0.0000000), wk = 0.0022026 k( 5) = ( 0.0213984 0.0637358 -0.0000000), wk = 0.0022026 k( 6) = ( 0.0267481 0.0796697 -0.0000000), wk = 0.0022026 k( 7) = ( 0.0320977 0.0956037 -0.0000000), wk = 0.0022026 k( 8) = ( 0.0374473 0.1115376 -0.0000000), wk = 0.0022026 k( 9) = ( 0.0427969 0.1274715 -0.0000000), wk = 0.0022026 k( 10) = ( 0.0481465 0.1434055 -0.0000000), wk = 0.0022026 k( 11) = ( 0.0534961 0.1593394 -0.0000000), wk = 0.0022026 k( 12) = ( 0.0588457 0.1752734 -0.0000000), wk = 0.0022026 k( 13) = ( 0.0641953 0.1912073 -0.0000000), wk = 0.0022026 k( 14) = ( 0.0695449 0.2071412 -0.0000000), wk = 0.0022026 k( 15) = ( 0.0748946 0.2230752 -0.0000000), wk = 0.0022026 k( 16) = ( 0.0802442 0.2390091 -0.0000000), wk = 0.0022026 k( 17) = ( 0.0855938 0.2549431 -0.0000000), wk = 0.0022026 k( 18) = ( 0.0909434 0.2708770 -0.0000000), wk = 0.0022026 k( 19) = ( 0.0962930 0.2868110 -0.0000000), wk = 0.0022026 k( 20) = ( 0.1016426 0.3027449 -0.0000000), wk = 0.0022026 k( 21) = ( 0.1069922 0.3186788 -0.0000000), wk = 0.0022026 k( 22) = ( 0.1123418 0.3346128 -0.0000000), wk = 0.0022026 k( 23) = ( 0.1176915 0.3505467 -0.0000000), wk = 0.0022026 k( 24) = ( 0.1230411 0.3664807 -0.0000000), wk = 0.0022026 k( 25) = ( 0.1283907 0.3824146 -0.0000000), wk = 0.0022026 k( 26) = ( 0.1337403 0.3983485 -0.0000000), wk = 0.0022026 k( 27) = ( 0.1390899 0.4142825 -0.0000000), wk = 0.0022026 k( 28) = ( 0.1444395 0.4302164 -0.0000000), wk = 0.0022026 k( 29) = ( 0.1497891 0.4461504 -0.0000000), wk = 0.0022026 k( 30) = ( 0.1551387 0.4620843 -0.0000000), wk = 0.0022026 k( 31) = ( 0.1604884 0.4780183 -0.0000000), wk = 0.0022026 k( 32) = ( 0.1658380 0.4939522 -0.0000000), wk = 0.0022026 k( 33) = ( 0.1711876 0.5098862 -0.0000000), wk = 0.0022026 k( 34) = ( 0.1765372 0.5258201 -0.0000000), wk = 0.0022026 k( 35) = ( 0.1818868 0.5417540 -0.0000000), wk = 0.0022026 k( 36) = ( 0.1872364 0.5576880 -0.0000000), wk = 0.0022026 k( 37) = ( 0.1925860 0.5736219 -0.0000000), wk = 0.0022026 k( 38) = ( 0.1979356 0.5895558 -0.0000000), wk = 0.0022026 k( 39) = ( 0.2032853 0.6054898 -0.0000000), wk = 0.0022026 k( 40) = ( 0.2086349 0.6214237 -0.0000000), wk = 0.0022026 k( 41) = ( 0.2139845 0.6373577 -0.0000000), wk = 0.0022026 k( 42) = ( 0.2193341 0.6532916 -0.0000000), wk = 0.0022026 k( 43) = ( 0.2246837 0.6692256 -0.0000000), wk = 0.0022026 k( 44) = ( 0.2300333 0.6851595 -0.0000000), wk = 0.0022026 k( 45) = ( 0.2353829 0.7010935 -0.0000000), wk = 0.0022026 k( 46) = ( 0.2407325 0.7170274 -0.0000000), wk = 0.0022026 k( 47) = ( 0.2460821 0.7329613 -0.0000000), wk = 0.0022026 k( 48) = ( 0.2514318 0.7488953 -0.0000000), wk = 0.0022026 k( 49) = ( 0.2567814 0.7648292 -0.0000000), wk = 0.0022026 k( 50) = ( 0.2621310 0.7807632 -0.0000000), wk = 0.0022026 k( 51) = ( 0.2674806 0.7966971 -0.0000000), wk = 0.0022026 k( 52) = ( 0.2728302 0.8126311 -0.0000000), wk = 0.0022026 k( 53) = ( 0.2781798 0.8285650 -0.0000000), wk = 0.0022026 k( 54) = ( 0.2781798 0.8285650 -0.0000000), wk = 0.0022026 k( 55) = ( 0.2618163 0.8285650 -0.0000000), wk = 0.0022026 k( 56) = ( 0.2454528 0.8285650 -0.0000000), wk = 0.0022026 k( 57) = ( 0.2290893 0.8285650 -0.0000000), wk = 0.0022026 k( 58) = ( 0.2127257 0.8285650 -0.0000000), wk = 0.0022026 k( 59) = ( 0.1963622 0.8285650 -0.0000000), wk = 0.0022026 k( 60) = ( 0.1799987 0.8285650 -0.0000000), wk = 0.0022026 k( 61) = ( 0.1636352 0.8285650 -0.0000000), wk = 0.0022026 k( 62) = ( 0.1472717 0.8285650 -0.0000000), wk = 0.0022026 k( 63) = ( 0.1309082 0.8285650 -0.0000000), wk = 0.0022026 k( 64) = ( 0.1145446 0.8285650 -0.0000000), wk = 0.0022026 k( 65) = ( 0.0981811 0.8285650 -0.0000000), wk = 0.0022026 k( 66) = ( 0.0818176 0.8285650 -0.0000000), wk = 0.0022026 k( 67) = ( 0.0654541 0.8285650 -0.0000000), wk = 0.0022026 k( 68) = ( 0.0490905 0.8285650 -0.0000000), wk = 0.0022026 k( 69) = ( 0.0327270 0.8285650 -0.0000000), wk = 0.0022026 k( 70) = ( 0.0163635 0.8285650 -0.0000000), wk = 0.0022026 k( 71) = ( 0.0000000 0.8285650 -0.0000000), wk = 0.0022026 k( 72) = ( 0.0000000 0.8285650 -0.0000000), wk = 0.0022026 k( 73) = ( 0.0000000 0.8285650 0.0169785), wk = 0.0022026 k( 74) = ( 0.0000000 0.8285650 0.0339570), wk = 0.0022026 k( 75) = ( 0.0000000 0.8285650 0.0509356), wk = 0.0022026 k( 76) = ( 0.0000000 0.8285650 0.0679141), wk = 0.0022026 k( 77) = ( 0.0000000 0.8285650 0.0848926), wk = 0.0022026 k( 78) = ( 0.0000000 0.8285650 0.1018711), wk = 0.0022026 k( 79) = ( 0.0000000 0.8285650 0.1188496), wk = 0.0022026 k( 80) = ( 0.0000000 0.8285650 0.1358282), wk = 0.0022026 k( 81) = ( 0.0000000 0.8285650 0.1528067), wk = 0.0022026 k( 82) = ( 0.0000000 0.8285650 0.1697852), wk = 0.0022026 k( 83) = ( 0.0000000 0.8285650 0.1867637), wk = 0.0022026 k( 84) = ( 0.0000000 0.8285650 0.2037422), wk = 0.0022026 k( 85) = ( 0.0000000 0.8285650 0.2207208), wk = 0.0022026 k( 86) = ( 0.0000000 0.8285650 0.2376993), wk = 0.0022026 k( 87) = ( 0.0000000 0.8285650 0.2546778), wk = 0.0022026 k( 88) = ( 0.0000000 0.8285650 0.2716563), wk = 0.0022026 k( 89) = ( 0.0000000 0.8285650 0.2886348), wk = 0.0022026 k( 90) = ( 0.0000000 0.8285650 0.3056133), wk = 0.0022026 k( 91) = ( 0.0000000 0.8285650 0.3225919), wk = 0.0022026 k( 92) = ( 0.0000000 0.8285650 0.3395704), wk = 0.0022026 k( 93) = ( 0.0000000 0.8285650 0.3565489), wk = 0.0022026 k( 94) = ( 0.0000000 0.8285650 0.3735274), wk = 0.0022026 k( 95) = ( 0.0000000 0.8285650 0.3905059), wk = 0.0022026 k( 96) = ( 0.0000000 0.8285650 0.4074845), wk = 0.0022026 k( 97) = ( 0.0000000 0.8285650 0.4244630), wk = 0.0022026 k( 98) = ( 0.0000000 0.8285650 0.4414415), wk = 0.0022026 k( 99) = ( 0.0000000 0.8285650 0.4584200), wk = 0.0022026 k( 100) = ( 0.0000000 0.8285650 0.4753985), wk = 0.0022026 k( 101) = ( 0.0000000 0.8285650 0.4923771), wk = 0.0022026 k( 102) = ( 0.0000000 0.8285650 0.5093556), wk = 0.0022026 k( 103) = ( 0.0000000 0.8285650 0.5263341), wk = 0.0022026 k( 104) = ( 0.0000000 0.8285650 0.5433126), wk = 0.0022026 k( 105) = ( 0.0000000 0.8285650 0.5602911), wk = 0.0022026 k( 106) = ( 0.0000000 0.8285650 0.5772697), wk = 0.0022026 k( 107) = ( 0.0000000 0.8285650 0.5942482), wk = 0.0022026 k( 108) = ( 0.0000000 0.8285650 0.6112267), wk = 0.0022026 k( 109) = ( 0.0000000 0.8285650 0.6282052), wk = 0.0022026 k( 110) = ( 0.0000000 0.8285650 0.6451837), wk = 0.0022026 k( 111) = ( 0.0000000 0.8285650 0.6621623), wk = 0.0022026 k( 112) = ( 0.0000000 0.8285650 0.6621623), wk = 0.0022026 k( 113) = ( 0.0163635 0.8285650 0.6621623), wk = 0.0022026 k( 114) = ( 0.0327270 0.8285650 0.6621623), wk = 0.0022026 k( 115) = ( 0.0490905 0.8285650 0.6621623), wk = 0.0022026 k( 116) = ( 0.0654541 0.8285650 0.6621623), wk = 0.0022026 k( 117) = ( 0.0818176 0.8285650 0.6621623), wk = 0.0022026 k( 118) = ( 0.0981811 0.8285650 0.6621623), wk = 0.0022026 k( 119) = ( 0.1145446 0.8285650 0.6621623), wk = 0.0022026 k( 120) = ( 0.1309082 0.8285650 0.6621623), wk = 0.0022026 k( 121) = ( 0.1472717 0.8285650 0.6621623), wk = 0.0022026 k( 122) = ( 0.1636352 0.8285650 0.6621623), wk = 0.0022026 k( 123) = ( 0.1799987 0.8285650 0.6621623), wk = 0.0022026 k( 124) = ( 0.1963622 0.8285650 0.6621623), wk = 0.0022026 k( 125) = ( 0.2127257 0.8285650 0.6621623), wk = 0.0022026 k( 126) = ( 0.2290893 0.8285650 0.6621623), wk = 0.0022026 k( 127) = ( 0.2454528 0.8285650 0.6621623), wk = 0.0022026 k( 128) = ( 0.2618163 0.8285650 0.6621623), wk = 0.0022026 k( 129) = ( 0.2781798 0.8285650 0.6621623), wk = 0.0022026 k( 130) = ( 0.2781798 0.8285650 0.6621623), wk = 0.0022026 k( 131) = ( 0.2728302 0.8126311 0.6621623), wk = 0.0022026 k( 132) = ( 0.2674806 0.7966971 0.6621623), wk = 0.0022026 k( 133) = ( 0.2621310 0.7807632 0.6621623), wk = 0.0022026 k( 134) = ( 0.2567814 0.7648292 0.6621623), wk = 0.0022026 k( 135) = ( 0.2514318 0.7488953 0.6621623), wk = 0.0022026 k( 136) = ( 0.2460821 0.7329613 0.6621623), wk = 0.0022026 k( 137) = ( 0.2407325 0.7170274 0.6621623), wk = 0.0022026 k( 138) = ( 0.2353829 0.7010935 0.6621623), wk = 0.0022026 k( 139) = ( 0.2300333 0.6851595 0.6621623), wk = 0.0022026 k( 140) = ( 0.2246837 0.6692256 0.6621623), wk = 0.0022026 k( 141) = ( 0.2193341 0.6532916 0.6621623), wk = 0.0022026 k( 142) = ( 0.2139845 0.6373577 0.6621623), wk = 0.0022026 k( 143) = ( 0.2086349 0.6214237 0.6621623), wk = 0.0022026 k( 144) = ( 0.2032853 0.6054898 0.6621623), wk = 0.0022026 k( 145) = ( 0.1979356 0.5895558 0.6621623), wk = 0.0022026 k( 146) = ( 0.1925860 0.5736219 0.6621623), wk = 0.0022026 k( 147) = ( 0.1872364 0.5576880 0.6621623), wk = 0.0022026 k( 148) = ( 0.1818868 0.5417540 0.6621623), wk = 0.0022026 k( 149) = ( 0.1765372 0.5258201 0.6621623), wk = 0.0022026 k( 150) = ( 0.1711876 0.5098862 0.6621623), wk = 0.0022026 k( 151) = ( 0.1658380 0.4939522 0.6621623), wk = 0.0022026 k( 152) = ( 0.1604884 0.4780183 0.6621623), wk = 0.0022026 k( 153) = ( 0.1551387 0.4620843 0.6621623), wk = 0.0022026 k( 154) = ( 0.1497891 0.4461504 0.6621623), wk = 0.0022026 k( 155) = ( 0.1444395 0.4302164 0.6621623), wk = 0.0022026 k( 156) = ( 0.1390899 0.4142825 0.6621623), wk = 0.0022026 k( 157) = ( 0.1337403 0.3983485 0.6621623), wk = 0.0022026 k( 158) = ( 0.1283907 0.3824146 0.6621623), wk = 0.0022026 k( 159) = ( 0.1230411 0.3664807 0.6621623), wk = 0.0022026 k( 160) = ( 0.1176915 0.3505467 0.6621623), wk = 0.0022026 k( 161) = ( 0.1123418 0.3346128 0.6621623), wk = 0.0022026 k( 162) = ( 0.1069922 0.3186788 0.6621623), wk = 0.0022026 k( 163) = ( 0.1016426 0.3027449 0.6621623), wk = 0.0022026 k( 164) = ( 0.0962930 0.2868110 0.6621623), wk = 0.0022026 k( 165) = ( 0.0909434 0.2708770 0.6621623), wk = 0.0022026 k( 166) = ( 0.0855938 0.2549431 0.6621623), wk = 0.0022026 k( 167) = ( 0.0802442 0.2390091 0.6621623), wk = 0.0022026 k( 168) = ( 0.0748946 0.2230752 0.6621623), wk = 0.0022026 k( 169) = ( 0.0695449 0.2071412 0.6621623), wk = 0.0022026 k( 170) = ( 0.0641953 0.1912073 0.6621623), wk = 0.0022026 k( 171) = ( 0.0588457 0.1752734 0.6621623), wk = 0.0022026 k( 172) = ( 0.0534961 0.1593394 0.6621623), wk = 0.0022026 k( 173) = ( 0.0481465 0.1434055 0.6621623), wk = 0.0022026 k( 174) = ( 0.0427969 0.1274715 0.6621623), wk = 0.0022026 k( 175) = ( 0.0374473 0.1115376 0.6621623), wk = 0.0022026 k( 176) = ( 0.0320977 0.0956037 0.6621623), wk = 0.0022026 k( 177) = ( 0.0267481 0.0796697 0.6621623), wk = 0.0022026 k( 178) = ( 0.0213984 0.0637358 0.6621623), wk = 0.0022026 k( 179) = ( 0.0160488 0.0478018 0.6621623), wk = 0.0022026 k( 180) = ( 0.0106992 0.0318679 0.6621623), wk = 0.0022026 k( 181) = ( 0.0053496 0.0159339 0.6621623), wk = 0.0022026 k( 182) = ( 0.0000000 0.0000000 0.6621623), wk = 0.0022026 k( 183) = ( 0.0000000 0.0000000 0.6621623), wk = 0.0022026 k( 184) = ( 0.0000000 0.0000000 0.6451837), wk = 0.0022026 k( 185) = ( 0.0000000 0.0000000 0.6282052), wk = 0.0022026 k( 186) = ( 0.0000000 0.0000000 0.6112267), wk = 0.0022026 k( 187) = ( 0.0000000 0.0000000 0.5942482), wk = 0.0022026 k( 188) = ( 0.0000000 0.0000000 0.5772697), wk = 0.0022026 k( 189) = ( 0.0000000 0.0000000 0.5602911), wk = 0.0022026 k( 190) = ( 0.0000000 0.0000000 0.5433126), wk = 0.0022026 k( 191) = ( 0.0000000 0.0000000 0.5263341), wk = 0.0022026 k( 192) = ( 0.0000000 0.0000000 0.5093556), wk = 0.0022026 k( 193) = ( 0.0000000 0.0000000 0.4923771), wk = 0.0022026 k( 194) = ( 0.0000000 0.0000000 0.4753985), wk = 0.0022026 k( 195) = ( 0.0000000 0.0000000 0.4584200), wk = 0.0022026 k( 196) = ( 0.0000000 0.0000000 0.4414415), wk = 0.0022026 k( 197) = ( 0.0000000 0.0000000 0.4244630), wk = 0.0022026 k( 198) = ( 0.0000000 0.0000000 0.4074845), wk = 0.0022026 k( 199) = ( 0.0000000 0.0000000 0.3905059), wk = 0.0022026 k( 200) = ( 0.0000000 0.0000000 0.3735274), wk = 0.0022026 k( 201) = ( 0.0000000 0.0000000 0.3565489), wk = 0.0022026 k( 202) = ( 0.0000000 0.0000000 0.3395704), wk = 0.0022026 k( 203) = ( 0.0000000 0.0000000 0.3225919), wk = 0.0022026 k( 204) = ( 0.0000000 0.0000000 0.3056133), wk = 0.0022026 k( 205) = ( 0.0000000 0.0000000 0.2886348), wk = 0.0022026 k( 206) = ( 0.0000000 0.0000000 0.2716563), wk = 0.0022026 k( 207) = ( 0.0000000 0.0000000 0.2546778), wk = 0.0022026 k( 208) = ( 0.0000000 0.0000000 0.2376993), wk = 0.0022026 k( 209) = ( 0.0000000 0.0000000 0.2207208), wk = 0.0022026 k( 210) = ( 0.0000000 0.0000000 0.2037422), wk = 0.0022026 k( 211) = ( 0.0000000 0.0000000 0.1867637), wk = 0.0022026 k( 212) = ( 0.0000000 0.0000000 0.1697852), wk = 0.0022026 k( 213) = ( 0.0000000 0.0000000 0.1528067), wk = 0.0022026 k( 214) = ( 0.0000000 0.0000000 0.1358282), wk = 0.0022026 k( 215) = ( 0.0000000 0.0000000 0.1188496), wk = 0.0022026 k( 216) = ( 0.0000000 0.0000000 0.1018711), wk = 0.0022026 k( 217) = ( 0.0000000 0.0000000 0.0848926), wk = 0.0022026 k( 218) = ( 0.0000000 0.0000000 0.0679141), wk = 0.0022026 k( 219) = ( 0.0000000 0.0000000 0.0509356), wk = 0.0022026 k( 220) = ( 0.0000000 0.0000000 0.0339570), wk = 0.0022026 k( 221) = ( 0.0000000 0.0000000 0.0169785), wk = 0.0022026 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 224) = ( -0.0156250 0.0052459 -0.0000000), wk = 0.0022026 k( 225) = ( -0.0312500 0.0104918 -0.0000000), wk = 0.0022026 k( 226) = ( -0.0468750 0.0157377 -0.0000000), wk = 0.0022026 k( 227) = ( -0.0625000 0.0209836 -0.0000000), wk = 0.0022026 k( 228) = ( -0.0781250 0.0262294 -0.0000000), wk = 0.0022026 k( 229) = ( -0.0937500 0.0314753 -0.0000000), wk = 0.0022026 k( 230) = ( -0.1093750 0.0367212 -0.0000000), wk = 0.0022026 k( 231) = ( -0.1250000 0.0419671 -0.0000000), wk = 0.0022026 k( 232) = ( -0.1406250 0.0472130 -0.0000000), wk = 0.0022026 k( 233) = ( -0.1562500 0.0524589 -0.0000000), wk = 0.0022026 k( 234) = ( -0.1718750 0.0577048 -0.0000000), wk = 0.0022026 k( 235) = ( -0.1875000 0.0629507 -0.0000000), wk = 0.0022026 k( 236) = ( -0.2031250 0.0681966 -0.0000000), wk = 0.0022026 k( 237) = ( -0.2187500 0.0734424 -0.0000000), wk = 0.0022026 k( 238) = ( -0.2343750 0.0786883 -0.0000000), wk = 0.0022026 k( 239) = ( -0.2500000 0.0839342 -0.0000000), wk = 0.0022026 k( 240) = ( -0.2656250 0.0891801 -0.0000000), wk = 0.0022026 k( 241) = ( -0.2812500 0.0944260 -0.0000000), wk = 0.0022026 k( 242) = ( -0.2968750 0.0996719 -0.0000000), wk = 0.0022026 k( 243) = ( -0.3125000 0.1049178 -0.0000000), wk = 0.0022026 k( 244) = ( -0.3281250 0.1101637 -0.0000000), wk = 0.0022026 k( 245) = ( -0.3437500 0.1154095 -0.0000000), wk = 0.0022026 k( 246) = ( -0.3593750 0.1206554 -0.0000000), wk = 0.0022026 k( 247) = ( -0.3750000 0.1259013 -0.0000000), wk = 0.0022026 k( 248) = ( -0.3906250 0.1311472 -0.0000000), wk = 0.0022026 k( 249) = ( -0.4062500 0.1363931 -0.0000000), wk = 0.0022026 k( 250) = ( -0.4218750 0.1416390 -0.0000000), wk = 0.0022026 k( 251) = ( -0.4375000 0.1468849 -0.0000000), wk = 0.0022026 k( 252) = ( -0.4531250 0.1521308 -0.0000000), wk = 0.0022026 k( 253) = ( -0.4687500 0.1573767 -0.0000000), wk = 0.0022026 k( 254) = ( -0.4843750 0.1626225 -0.0000000), wk = 0.0022026 k( 255) = ( -0.5000000 0.1678684 -0.0000000), wk = 0.0022026 k( 256) = ( -0.5000000 0.1678684 -0.0000000), wk = 0.0022026 k( 257) = ( -0.4947186 0.1835993 -0.0000000), wk = 0.0022026 k( 258) = ( -0.4894371 0.1993302 -0.0000000), wk = 0.0022026 k( 259) = ( -0.4841557 0.2150610 -0.0000000), wk = 0.0022026 k( 260) = ( -0.4788743 0.2307919 -0.0000000), wk = 0.0022026 k( 261) = ( -0.4735928 0.2465228 -0.0000000), wk = 0.0022026 k( 262) = ( -0.4683114 0.2622537 -0.0000000), wk = 0.0022026 k( 263) = ( -0.4630300 0.2779845 -0.0000000), wk = 0.0022026 k( 264) = ( -0.4577485 0.2937154 -0.0000000), wk = 0.0022026 k( 265) = ( -0.4524671 0.3094463 -0.0000000), wk = 0.0022026 k( 266) = ( -0.4471857 0.3251771 -0.0000000), wk = 0.0022026 k( 267) = ( -0.4419042 0.3409080 -0.0000000), wk = 0.0022026 k( 268) = ( -0.4366228 0.3566389 -0.0000000), wk = 0.0022026 k( 269) = ( -0.4313414 0.3723697 -0.0000000), wk = 0.0022026 k( 270) = ( -0.4260599 0.3881006 -0.0000000), wk = 0.0022026 k( 271) = ( -0.4207785 0.4038315 -0.0000000), wk = 0.0022026 k( 272) = ( -0.4154971 0.4195624 -0.0000000), wk = 0.0022026 k( 273) = ( -0.4102156 0.4352932 -0.0000000), wk = 0.0022026 k( 274) = ( -0.4049342 0.4510241 -0.0000000), wk = 0.0022026 k( 275) = ( -0.3996528 0.4667550 -0.0000000), wk = 0.0022026 k( 276) = ( -0.3943713 0.4824858 -0.0000000), wk = 0.0022026 k( 277) = ( -0.3890899 0.4982167 -0.0000000), wk = 0.0022026 k( 278) = ( -0.3838085 0.5139476 -0.0000000), wk = 0.0022026 k( 279) = ( -0.3785270 0.5296784 -0.0000000), wk = 0.0022026 k( 280) = ( -0.3732456 0.5454093 -0.0000000), wk = 0.0022026 k( 281) = ( -0.3679642 0.5611402 -0.0000000), wk = 0.0022026 k( 282) = ( -0.3626827 0.5768711 -0.0000000), wk = 0.0022026 k( 283) = ( -0.3574013 0.5926019 -0.0000000), wk = 0.0022026 k( 284) = ( -0.3521199 0.6083328 -0.0000000), wk = 0.0022026 k( 285) = ( -0.3468384 0.6240637 -0.0000000), wk = 0.0022026 k( 286) = ( -0.3415570 0.6397945 -0.0000000), wk = 0.0022026 k( 287) = ( -0.3362756 0.6555254 -0.0000000), wk = 0.0022026 k( 288) = ( -0.3309941 0.6712563 -0.0000000), wk = 0.0022026 k( 289) = ( -0.3257127 0.6869871 -0.0000000), wk = 0.0022026 k( 290) = ( -0.3204313 0.7027180 -0.0000000), wk = 0.0022026 k( 291) = ( -0.3151498 0.7184489 -0.0000000), wk = 0.0022026 k( 292) = ( -0.3098684 0.7341798 -0.0000000), wk = 0.0022026 k( 293) = ( -0.3045870 0.7499106 -0.0000000), wk = 0.0022026 k( 294) = ( -0.2993055 0.7656415 -0.0000000), wk = 0.0022026 k( 295) = ( -0.2940241 0.7813724 -0.0000000), wk = 0.0022026 k( 296) = ( -0.2887427 0.7971032 -0.0000000), wk = 0.0022026 k( 297) = ( -0.2834612 0.8128341 -0.0000000), wk = 0.0022026 k( 298) = ( -0.2781798 0.8285650 -0.0000000), wk = 0.0022026 k( 299) = ( -0.2781798 0.8285650 -0.0000000), wk = 0.0022026 k( 300) = ( -0.2781798 0.8285650 0.0169785), wk = 0.0022026 k( 301) = ( -0.2781798 0.8285650 0.0339570), wk = 0.0022026 k( 302) = ( -0.2781798 0.8285650 0.0509356), wk = 0.0022026 k( 303) = ( -0.2781798 0.8285650 0.0679141), wk = 0.0022026 k( 304) = ( -0.2781798 0.8285650 0.0848926), wk = 0.0022026 k( 305) = ( -0.2781798 0.8285650 0.1018711), wk = 0.0022026 k( 306) = ( -0.2781798 0.8285650 0.1188496), wk = 0.0022026 k( 307) = ( -0.2781798 0.8285650 0.1358282), wk = 0.0022026 k( 308) = ( -0.2781798 0.8285650 0.1528067), wk = 0.0022026 k( 309) = ( -0.2781798 0.8285650 0.1697852), wk = 0.0022026 k( 310) = ( -0.2781798 0.8285650 0.1867637), wk = 0.0022026 k( 311) = ( -0.2781798 0.8285650 0.2037422), wk = 0.0022026 k( 312) = ( -0.2781798 0.8285650 0.2207208), wk = 0.0022026 k( 313) = ( -0.2781798 0.8285650 0.2376993), wk = 0.0022026 k( 314) = ( -0.2781798 0.8285650 0.2546778), wk = 0.0022026 k( 315) = ( -0.2781798 0.8285650 0.2716563), wk = 0.0022026 k( 316) = ( -0.2781798 0.8285650 0.2886348), wk = 0.0022026 k( 317) = ( -0.2781798 0.8285650 0.3056133), wk = 0.0022026 k( 318) = ( -0.2781798 0.8285650 0.3225919), wk = 0.0022026 k( 319) = ( -0.2781798 0.8285650 0.3395704), wk = 0.0022026 k( 320) = ( -0.2781798 0.8285650 0.3565489), wk = 0.0022026 k( 321) = ( -0.2781798 0.8285650 0.3735274), wk = 0.0022026 k( 322) = ( -0.2781798 0.8285650 0.3905059), wk = 0.0022026 k( 323) = ( -0.2781798 0.8285650 0.4074845), wk = 0.0022026 k( 324) = ( -0.2781798 0.8285650 0.4244630), wk = 0.0022026 k( 325) = ( -0.2781798 0.8285650 0.4414415), wk = 0.0022026 k( 326) = ( -0.2781798 0.8285650 0.4584200), wk = 0.0022026 k( 327) = ( -0.2781798 0.8285650 0.4753985), wk = 0.0022026 k( 328) = ( -0.2781798 0.8285650 0.4923771), wk = 0.0022026 k( 329) = ( -0.2781798 0.8285650 0.5093556), wk = 0.0022026 k( 330) = ( -0.2781798 0.8285650 0.5263341), wk = 0.0022026 k( 331) = ( -0.2781798 0.8285650 0.5433126), wk = 0.0022026 k( 332) = ( -0.2781798 0.8285650 0.5602911), wk = 0.0022026 k( 333) = ( -0.2781798 0.8285650 0.5772697), wk = 0.0022026 k( 334) = ( -0.2781798 0.8285650 0.5942482), wk = 0.0022026 k( 335) = ( -0.2781798 0.8285650 0.6112267), wk = 0.0022026 k( 336) = ( -0.2781798 0.8285650 0.6282052), wk = 0.0022026 k( 337) = ( -0.2781798 0.8285650 0.6451837), wk = 0.0022026 k( 338) = ( -0.2781798 0.8285650 0.6621623), wk = 0.0022026 k( 339) = ( -0.2781798 0.8285650 0.6621623), wk = 0.0022026 k( 340) = ( -0.2834612 0.8128341 0.6621623), wk = 0.0022026 k( 341) = ( -0.2887427 0.7971032 0.6621623), wk = 0.0022026 k( 342) = ( -0.2940241 0.7813724 0.6621623), wk = 0.0022026 k( 343) = ( -0.2993055 0.7656415 0.6621623), wk = 0.0022026 k( 344) = ( -0.3045870 0.7499106 0.6621623), wk = 0.0022026 k( 345) = ( -0.3098684 0.7341798 0.6621623), wk = 0.0022026 k( 346) = ( -0.3151498 0.7184489 0.6621623), wk = 0.0022026 k( 347) = ( -0.3204313 0.7027180 0.6621623), wk = 0.0022026 k( 348) = ( -0.3257127 0.6869871 0.6621623), wk = 0.0022026 k( 349) = ( -0.3309941 0.6712563 0.6621623), wk = 0.0022026 k( 350) = ( -0.3362756 0.6555254 0.6621623), wk = 0.0022026 k( 351) = ( -0.3415570 0.6397945 0.6621623), wk = 0.0022026 k( 352) = ( -0.3468384 0.6240637 0.6621623), wk = 0.0022026 k( 353) = ( -0.3521199 0.6083328 0.6621623), wk = 0.0022026 k( 354) = ( -0.3574013 0.5926019 0.6621623), wk = 0.0022026 k( 355) = ( -0.3626827 0.5768711 0.6621623), wk = 0.0022026 k( 356) = ( -0.3679642 0.5611402 0.6621623), wk = 0.0022026 k( 357) = ( -0.3732456 0.5454093 0.6621623), wk = 0.0022026 k( 358) = ( -0.3785270 0.5296784 0.6621623), wk = 0.0022026 k( 359) = ( -0.3838085 0.5139476 0.6621623), wk = 0.0022026 k( 360) = ( -0.3890899 0.4982167 0.6621623), wk = 0.0022026 k( 361) = ( -0.3943713 0.4824858 0.6621623), wk = 0.0022026 k( 362) = ( -0.3996528 0.4667550 0.6621623), wk = 0.0022026 k( 363) = ( -0.4049342 0.4510241 0.6621623), wk = 0.0022026 k( 364) = ( -0.4102156 0.4352932 0.6621623), wk = 0.0022026 k( 365) = ( -0.4154971 0.4195624 0.6621623), wk = 0.0022026 k( 366) = ( -0.4207785 0.4038315 0.6621623), wk = 0.0022026 k( 367) = ( -0.4260599 0.3881006 0.6621623), wk = 0.0022026 k( 368) = ( -0.4313414 0.3723697 0.6621623), wk = 0.0022026 k( 369) = ( -0.4366228 0.3566389 0.6621623), wk = 0.0022026 k( 370) = ( -0.4419042 0.3409080 0.6621623), wk = 0.0022026 k( 371) = ( -0.4471857 0.3251771 0.6621623), wk = 0.0022026 k( 372) = ( -0.4524671 0.3094463 0.6621623), wk = 0.0022026 k( 373) = ( -0.4577485 0.2937154 0.6621623), wk = 0.0022026 k( 374) = ( -0.4630300 0.2779845 0.6621623), wk = 0.0022026 k( 375) = ( -0.4683114 0.2622537 0.6621623), wk = 0.0022026 k( 376) = ( -0.4735928 0.2465228 0.6621623), wk = 0.0022026 k( 377) = ( -0.4788743 0.2307919 0.6621623), wk = 0.0022026 k( 378) = ( -0.4841557 0.2150610 0.6621623), wk = 0.0022026 k( 379) = ( -0.4894371 0.1993302 0.6621623), wk = 0.0022026 k( 380) = ( -0.4947186 0.1835993 0.6621623), wk = 0.0022026 k( 381) = ( -0.5000000 0.1678684 0.6621623), wk = 0.0022026 k( 382) = ( -0.5000000 0.1678684 0.6621623), wk = 0.0022026 k( 383) = ( -0.5000000 0.1678684 0.6451837), wk = 0.0022026 k( 384) = ( -0.5000000 0.1678684 0.6282052), wk = 0.0022026 k( 385) = ( -0.5000000 0.1678684 0.6112267), wk = 0.0022026 k( 386) = ( -0.5000000 0.1678684 0.5942482), wk = 0.0022026 k( 387) = ( -0.5000000 0.1678684 0.5772697), wk = 0.0022026 k( 388) = ( -0.5000000 0.1678684 0.5602911), wk = 0.0022026 k( 389) = ( -0.5000000 0.1678684 0.5433126), wk = 0.0022026 k( 390) = ( -0.5000000 0.1678684 0.5263341), wk = 0.0022026 k( 391) = ( -0.5000000 0.1678684 0.5093556), wk = 0.0022026 k( 392) = ( -0.5000000 0.1678684 0.4923771), wk = 0.0022026 k( 393) = ( -0.5000000 0.1678684 0.4753985), wk = 0.0022026 k( 394) = ( -0.5000000 0.1678684 0.4584200), wk = 0.0022026 k( 395) = ( -0.5000000 0.1678684 0.4414415), wk = 0.0022026 k( 396) = ( -0.5000000 0.1678684 0.4244630), wk = 0.0022026 k( 397) = ( -0.5000000 0.1678684 0.4074845), wk = 0.0022026 k( 398) = ( -0.5000000 0.1678684 0.3905059), wk = 0.0022026 k( 399) = ( -0.5000000 0.1678684 0.3735274), wk = 0.0022026 k( 400) = ( -0.5000000 0.1678684 0.3565489), wk = 0.0022026 k( 401) = ( -0.5000000 0.1678684 0.3395704), wk = 0.0022026 k( 402) = ( -0.5000000 0.1678684 0.3225919), wk = 0.0022026 k( 403) = ( -0.5000000 0.1678684 0.3056133), wk = 0.0022026 k( 404) = ( -0.5000000 0.1678684 0.2886348), wk = 0.0022026 k( 405) = ( -0.5000000 0.1678684 0.2716563), wk = 0.0022026 k( 406) = ( -0.5000000 0.1678684 0.2546778), wk = 0.0022026 k( 407) = ( -0.5000000 0.1678684 0.2376993), wk = 0.0022026 k( 408) = ( -0.5000000 0.1678684 0.2207208), wk = 0.0022026 k( 409) = ( -0.5000000 0.1678684 0.2037422), wk = 0.0022026 k( 410) = ( -0.5000000 0.1678684 0.1867637), wk = 0.0022026 k( 411) = ( -0.5000000 0.1678684 0.1697852), wk = 0.0022026 k( 412) = ( -0.5000000 0.1678684 0.1528067), wk = 0.0022026 k( 413) = ( -0.5000000 0.1678684 0.1358282), wk = 0.0022026 k( 414) = ( -0.5000000 0.1678684 0.1188496), wk = 0.0022026 k( 415) = ( -0.5000000 0.1678684 0.1018711), wk = 0.0022026 k( 416) = ( -0.5000000 0.1678684 0.0848926), wk = 0.0022026 k( 417) = ( -0.5000000 0.1678684 0.0679141), wk = 0.0022026 k( 418) = ( -0.5000000 0.1678684 0.0509356), wk = 0.0022026 k( 419) = ( -0.5000000 0.1678684 0.0339570), wk = 0.0022026 k( 420) = ( -0.5000000 0.1678684 0.0169785), wk = 0.0022026 k( 421) = ( -0.5000000 0.1678684 -0.0000000), wk = 0.0022026 k( 422) = ( 0.0000000 0.0000000 0.6621623), wk = 0.0022026 k( 423) = ( -0.0156250 0.0052459 0.6621623), wk = 0.0022026 k( 424) = ( -0.0312500 0.0104918 0.6621623), wk = 0.0022026 k( 425) = ( -0.0468750 0.0157377 0.6621623), wk = 0.0022026 k( 426) = ( -0.0625000 0.0209836 0.6621623), wk = 0.0022026 k( 427) = ( -0.0781250 0.0262294 0.6621623), wk = 0.0022026 k( 428) = ( -0.0937500 0.0314753 0.6621623), wk = 0.0022026 k( 429) = ( -0.1093750 0.0367212 0.6621623), wk = 0.0022026 k( 430) = ( -0.1250000 0.0419671 0.6621623), wk = 0.0022026 k( 431) = ( -0.1406250 0.0472130 0.6621623), wk = 0.0022026 k( 432) = ( -0.1562500 0.0524589 0.6621623), wk = 0.0022026 k( 433) = ( -0.1718750 0.0577048 0.6621623), wk = 0.0022026 k( 434) = ( -0.1875000 0.0629507 0.6621623), wk = 0.0022026 k( 435) = ( -0.2031250 0.0681966 0.6621623), wk = 0.0022026 k( 436) = ( -0.2187500 0.0734424 0.6621623), wk = 0.0022026 k( 437) = ( -0.2343750 0.0786883 0.6621623), wk = 0.0022026 k( 438) = ( -0.2500000 0.0839342 0.6621623), wk = 0.0022026 k( 439) = ( -0.2656250 0.0891801 0.6621623), wk = 0.0022026 k( 440) = ( -0.2812500 0.0944260 0.6621623), wk = 0.0022026 k( 441) = ( -0.2968750 0.0996719 0.6621623), wk = 0.0022026 k( 442) = ( -0.3125000 0.1049178 0.6621623), wk = 0.0022026 k( 443) = ( -0.3281250 0.1101637 0.6621623), wk = 0.0022026 k( 444) = ( -0.3437500 0.1154095 0.6621623), wk = 0.0022026 k( 445) = ( -0.3593750 0.1206554 0.6621623), wk = 0.0022026 k( 446) = ( -0.3750000 0.1259013 0.6621623), wk = 0.0022026 k( 447) = ( -0.3906250 0.1311472 0.6621623), wk = 0.0022026 k( 448) = ( -0.4062500 0.1363931 0.6621623), wk = 0.0022026 k( 449) = ( -0.4218750 0.1416390 0.6621623), wk = 0.0022026 k( 450) = ( -0.4375000 0.1468849 0.6621623), wk = 0.0022026 k( 451) = ( -0.4531250 0.1521308 0.6621623), wk = 0.0022026 k( 452) = ( -0.4687500 0.1573767 0.6621623), wk = 0.0022026 k( 453) = ( -0.4843750 0.1626225 0.6621623), wk = 0.0022026 k( 454) = ( -0.5000000 0.1678684 0.6621623), wk = 0.0022026 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 2) = ( 0.0053496 0.0053496 0.0000000), wk = 0.0022026 k( 3) = ( 0.0106992 0.0106992 0.0000000), wk = 0.0022026 k( 4) = ( 0.0160488 0.0160488 0.0000000), wk = 0.0022026 k( 5) = ( 0.0213984 0.0213984 -0.0000000), wk = 0.0022026 k( 6) = ( 0.0267481 0.0267481 0.0000000), wk = 0.0022026 k( 7) = ( 0.0320977 0.0320977 0.0000000), wk = 0.0022026 k( 8) = ( 0.0374473 0.0374473 0.0000000), wk = 0.0022026 k( 9) = ( 0.0427969 0.0427969 0.0000000), wk = 0.0022026 k( 10) = ( 0.0481465 0.0481465 0.0000000), wk = 0.0022026 k( 11) = ( 0.0534961 0.0534961 0.0000000), wk = 0.0022026 k( 12) = ( 0.0588457 0.0588457 0.0000000), wk = 0.0022026 k( 13) = ( 0.0641953 0.0641953 0.0000000), wk = 0.0022026 k( 14) = ( 0.0695449 0.0695450 0.0000000), wk = 0.0022026 k( 15) = ( 0.0748946 0.0748946 0.0000000), wk = 0.0022026 k( 16) = ( 0.0802442 0.0802442 0.0000000), wk = 0.0022026 k( 17) = ( 0.0855938 0.0855938 0.0000000), wk = 0.0022026 k( 18) = ( 0.0909434 0.0909434 0.0000000), wk = 0.0022026 k( 19) = ( 0.0962930 0.0962930 0.0000000), wk = 0.0022026 k( 20) = ( 0.1016426 0.1016426 0.0000000), wk = 0.0022026 k( 21) = ( 0.1069922 0.1069922 0.0000000), wk = 0.0022026 k( 22) = ( 0.1123418 0.1123419 0.0000000), wk = 0.0022026 k( 23) = ( 0.1176915 0.1176915 0.0000000), wk = 0.0022026 k( 24) = ( 0.1230411 0.1230411 0.0000000), wk = 0.0022026 k( 25) = ( 0.1283907 0.1283907 0.0000000), wk = 0.0022026 k( 26) = ( 0.1337403 0.1337403 0.0000000), wk = 0.0022026 k( 27) = ( 0.1390899 0.1390899 0.0000000), wk = 0.0022026 k( 28) = ( 0.1444395 0.1444395 0.0000000), wk = 0.0022026 k( 29) = ( 0.1497891 0.1497891 0.0000000), wk = 0.0022026 k( 30) = ( 0.1551387 0.1551387 0.0000000), wk = 0.0022026 k( 31) = ( 0.1604884 0.1604884 0.0000000), wk = 0.0022026 k( 32) = ( 0.1658380 0.1658380 -0.0000000), wk = 0.0022026 k( 33) = ( 0.1711876 0.1711876 0.0000000), wk = 0.0022026 k( 34) = ( 0.1765372 0.1765372 0.0000000), wk = 0.0022026 k( 35) = ( 0.1818868 0.1818868 0.0000000), wk = 0.0022026 k( 36) = ( 0.1872364 0.1872364 0.0000000), wk = 0.0022026 k( 37) = ( 0.1925860 0.1925860 0.0000000), wk = 0.0022026 k( 38) = ( 0.1979356 0.1979356 0.0000000), wk = 0.0022026 k( 39) = ( 0.2032853 0.2032853 0.0000000), wk = 0.0022026 k( 40) = ( 0.2086349 0.2086349 0.0000000), wk = 0.0022026 k( 41) = ( 0.2139845 0.2139845 -0.0000000), wk = 0.0022026 k( 42) = ( 0.2193341 0.2193341 0.0000000), wk = 0.0022026 k( 43) = ( 0.2246837 0.2246837 0.0000000), wk = 0.0022026 k( 44) = ( 0.2300333 0.2300333 0.0000000), wk = 0.0022026 k( 45) = ( 0.2353829 0.2353829 0.0000000), wk = 0.0022026 k( 46) = ( 0.2407325 0.2407325 -0.0000000), wk = 0.0022026 k( 47) = ( 0.2460821 0.2460821 0.0000000), wk = 0.0022026 k( 48) = ( 0.2514318 0.2514317 0.0000000), wk = 0.0022026 k( 49) = ( 0.2567814 0.2567814 0.0000000), wk = 0.0022026 k( 50) = ( 0.2621310 0.2621310 0.0000000), wk = 0.0022026 k( 51) = ( 0.2674806 0.2674806 -0.0000000), wk = 0.0022026 k( 52) = ( 0.2728302 0.2728302 0.0000000), wk = 0.0022026 k( 53) = ( 0.2781798 0.2781798 0.0000000), wk = 0.0022026 k( 54) = ( 0.2781798 0.2781798 0.0000000), wk = 0.0022026 k( 55) = ( 0.2618163 0.2912281 -0.0000000), wk = 0.0022026 k( 56) = ( 0.2454528 0.3042763 -0.0000000), wk = 0.0022026 k( 57) = ( 0.2290893 0.3173245 -0.0000000), wk = 0.0022026 k( 58) = ( 0.2127257 0.3303728 -0.0000000), wk = 0.0022026 k( 59) = ( 0.1963622 0.3434210 -0.0000000), wk = 0.0022026 k( 60) = ( 0.1799987 0.3564693 0.0000000), wk = 0.0022026 k( 61) = ( 0.1636352 0.3695175 0.0000000), wk = 0.0022026 k( 62) = ( 0.1472717 0.3825658 0.0000000), wk = 0.0022026 k( 63) = ( 0.1309082 0.3956140 0.0000000), wk = 0.0022026 k( 64) = ( 0.1145446 0.4086623 0.0000000), wk = 0.0022026 k( 65) = ( 0.0981811 0.4217105 -0.0000000), wk = 0.0022026 k( 66) = ( 0.0818176 0.4347588 -0.0000000), wk = 0.0022026 k( 67) = ( 0.0654541 0.4478070 -0.0000000), wk = 0.0022026 k( 68) = ( 0.0490905 0.4608553 0.0000000), wk = 0.0022026 k( 69) = ( 0.0327270 0.4739035 0.0000000), wk = 0.0022026 k( 70) = ( 0.0163635 0.4869518 0.0000000), wk = 0.0022026 k( 71) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022026 k( 72) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022026 k( 73) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0022026 k( 74) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0022026 k( 75) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0022026 k( 76) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0022026 k( 77) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0022026 k( 78) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0022026 k( 79) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0022026 k( 80) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0022026 k( 81) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0022026 k( 82) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0022026 k( 83) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0022026 k( 84) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0022026 k( 85) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022026 k( 86) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0022026 k( 87) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0022026 k( 88) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0022026 k( 89) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0022026 k( 90) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0022026 k( 91) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0022026 k( 92) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0022026 k( 93) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0022026 k( 94) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0022026 k( 95) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0022026 k( 96) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0022026 k( 97) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0022026 k( 98) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022026 k( 99) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0022026 k( 100) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0022026 k( 101) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0022026 k( 102) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0022026 k( 103) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0022026 k( 104) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0022026 k( 105) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0022026 k( 106) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0022026 k( 107) = ( 0.0000000 0.5000000 0.4487180), wk = 0.0022026 k( 108) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0022026 k( 109) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0022026 k( 110) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0022026 k( 111) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022026 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022026 k( 113) = ( 0.0163635 0.4869518 0.5000000), wk = 0.0022026 k( 114) = ( 0.0327270 0.4739035 0.5000000), wk = 0.0022026 k( 115) = ( 0.0490905 0.4608553 0.5000000), wk = 0.0022026 k( 116) = ( 0.0654541 0.4478070 0.5000000), wk = 0.0022026 k( 117) = ( 0.0818176 0.4347588 0.5000000), wk = 0.0022026 k( 118) = ( 0.0981811 0.4217105 0.5000000), wk = 0.0022026 k( 119) = ( 0.1145446 0.4086623 0.5000000), wk = 0.0022026 k( 120) = ( 0.1309082 0.3956140 0.5000000), wk = 0.0022026 k( 121) = ( 0.1472717 0.3825658 0.5000000), wk = 0.0022026 k( 122) = ( 0.1636352 0.3695175 0.5000000), wk = 0.0022026 k( 123) = ( 0.1799987 0.3564693 0.5000000), wk = 0.0022026 k( 124) = ( 0.1963622 0.3434210 0.5000000), wk = 0.0022026 k( 125) = ( 0.2127257 0.3303728 0.5000000), wk = 0.0022026 k( 126) = ( 0.2290893 0.3173245 0.5000000), wk = 0.0022026 k( 127) = ( 0.2454528 0.3042763 0.5000000), wk = 0.0022026 k( 128) = ( 0.2618163 0.2912281 0.5000000), wk = 0.0022026 k( 129) = ( 0.2781798 0.2781798 0.5000000), wk = 0.0022026 k( 130) = ( 0.2781798 0.2781798 0.5000000), wk = 0.0022026 k( 131) = ( 0.2728302 0.2728302 0.5000000), wk = 0.0022026 k( 132) = ( 0.2674806 0.2674806 0.5000000), wk = 0.0022026 k( 133) = ( 0.2621310 0.2621310 0.5000000), wk = 0.0022026 k( 134) = ( 0.2567814 0.2567814 0.5000000), wk = 0.0022026 k( 135) = ( 0.2514318 0.2514317 0.5000000), wk = 0.0022026 k( 136) = ( 0.2460821 0.2460821 0.5000000), wk = 0.0022026 k( 137) = ( 0.2407325 0.2407325 0.5000000), wk = 0.0022026 k( 138) = ( 0.2353829 0.2353829 0.5000000), wk = 0.0022026 k( 139) = ( 0.2300333 0.2300333 0.5000000), wk = 0.0022026 k( 140) = ( 0.2246837 0.2246837 0.5000000), wk = 0.0022026 k( 141) = ( 0.2193341 0.2193341 0.5000000), wk = 0.0022026 k( 142) = ( 0.2139845 0.2139845 0.5000000), wk = 0.0022026 k( 143) = ( 0.2086349 0.2086349 0.5000000), wk = 0.0022026 k( 144) = ( 0.2032853 0.2032853 0.5000000), wk = 0.0022026 k( 145) = ( 0.1979356 0.1979356 0.5000000), wk = 0.0022026 k( 146) = ( 0.1925860 0.1925860 0.5000000), wk = 0.0022026 k( 147) = ( 0.1872364 0.1872364 0.5000000), wk = 0.0022026 k( 148) = ( 0.1818868 0.1818868 0.5000000), wk = 0.0022026 k( 149) = ( 0.1765372 0.1765372 0.5000000), wk = 0.0022026 k( 150) = ( 0.1711876 0.1711876 0.5000000), wk = 0.0022026 k( 151) = ( 0.1658380 0.1658380 0.5000000), wk = 0.0022026 k( 152) = ( 0.1604884 0.1604884 0.5000000), wk = 0.0022026 k( 153) = ( 0.1551387 0.1551387 0.5000000), wk = 0.0022026 k( 154) = ( 0.1497891 0.1497891 0.5000000), wk = 0.0022026 k( 155) = ( 0.1444395 0.1444395 0.5000000), wk = 0.0022026 k( 156) = ( 0.1390899 0.1390899 0.5000000), wk = 0.0022026 k( 157) = ( 0.1337403 0.1337403 0.5000000), wk = 0.0022026 k( 158) = ( 0.1283907 0.1283907 0.5000000), wk = 0.0022026 k( 159) = ( 0.1230411 0.1230411 0.5000000), wk = 0.0022026 k( 160) = ( 0.1176915 0.1176915 0.5000000), wk = 0.0022026 k( 161) = ( 0.1123418 0.1123419 0.5000000), wk = 0.0022026 k( 162) = ( 0.1069922 0.1069922 0.5000000), wk = 0.0022026 k( 163) = ( 0.1016426 0.1016426 0.5000000), wk = 0.0022026 k( 164) = ( 0.0962930 0.0962930 0.5000000), wk = 0.0022026 k( 165) = ( 0.0909434 0.0909434 0.5000000), wk = 0.0022026 k( 166) = ( 0.0855938 0.0855938 0.5000000), wk = 0.0022026 k( 167) = ( 0.0802442 0.0802442 0.5000000), wk = 0.0022026 k( 168) = ( 0.0748946 0.0748946 0.5000000), wk = 0.0022026 k( 169) = ( 0.0695449 0.0695450 0.5000000), wk = 0.0022026 k( 170) = ( 0.0641953 0.0641953 0.5000000), wk = 0.0022026 k( 171) = ( 0.0588457 0.0588457 0.5000000), wk = 0.0022026 k( 172) = ( 0.0534961 0.0534961 0.5000000), wk = 0.0022026 k( 173) = ( 0.0481465 0.0481465 0.5000000), wk = 0.0022026 k( 174) = ( 0.0427969 0.0427969 0.5000000), wk = 0.0022026 k( 175) = ( 0.0374473 0.0374473 0.5000000), wk = 0.0022026 k( 176) = ( 0.0320977 0.0320977 0.5000000), wk = 0.0022026 k( 177) = ( 0.0267481 0.0267481 0.5000000), wk = 0.0022026 k( 178) = ( 0.0213984 0.0213984 0.5000000), wk = 0.0022026 k( 179) = ( 0.0160488 0.0160488 0.5000000), wk = 0.0022026 k( 180) = ( 0.0106992 0.0106992 0.5000000), wk = 0.0022026 k( 181) = ( 0.0053496 0.0053496 0.5000000), wk = 0.0022026 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 184) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0022026 k( 185) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0022026 k( 186) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0022026 k( 187) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0022026 k( 188) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0022026 k( 189) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0022026 k( 190) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0022026 k( 191) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0022026 k( 192) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0022026 k( 193) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0022026 k( 194) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0022026 k( 195) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0022026 k( 196) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022026 k( 197) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0022026 k( 198) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0022026 k( 199) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0022026 k( 200) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0022026 k( 201) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0022026 k( 202) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0022026 k( 203) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0022026 k( 204) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0022026 k( 205) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0022026 k( 206) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0022026 k( 207) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0022026 k( 208) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0022026 k( 209) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022026 k( 210) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0022026 k( 211) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0022026 k( 212) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0022026 k( 213) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0022026 k( 214) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0022026 k( 215) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0022026 k( 216) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0022026 k( 217) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0022026 k( 218) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0022026 k( 219) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0022026 k( 220) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0022026 k( 221) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0022026 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 224) = ( -0.0156250 0.0156250 -0.0000000), wk = 0.0022026 k( 225) = ( -0.0312500 0.0312500 -0.0000000), wk = 0.0022026 k( 226) = ( -0.0468750 0.0468750 -0.0000000), wk = 0.0022026 k( 227) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0022026 k( 228) = ( -0.0781250 0.0781250 -0.0000000), wk = 0.0022026 k( 229) = ( -0.0937500 0.0937500 -0.0000000), wk = 0.0022026 k( 230) = ( -0.1093750 0.1093750 -0.0000000), wk = 0.0022026 k( 231) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0022026 k( 232) = ( -0.1406250 0.1406250 -0.0000000), wk = 0.0022026 k( 233) = ( -0.1562500 0.1562500 -0.0000000), wk = 0.0022026 k( 234) = ( -0.1718750 0.1718750 0.0000000), wk = 0.0022026 k( 235) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0022026 k( 236) = ( -0.2031250 0.2031250 -0.0000000), wk = 0.0022026 k( 237) = ( -0.2187500 0.2187500 -0.0000000), wk = 0.0022026 k( 238) = ( -0.2343750 0.2343750 -0.0000000), wk = 0.0022026 k( 239) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0022026 k( 240) = ( -0.2656250 0.2656250 -0.0000000), wk = 0.0022026 k( 241) = ( -0.2812500 0.2812500 -0.0000000), wk = 0.0022026 k( 242) = ( -0.2968750 0.2968750 0.0000000), wk = 0.0022026 k( 243) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0022026 k( 244) = ( -0.3281250 0.3281250 -0.0000000), wk = 0.0022026 k( 245) = ( -0.3437500 0.3437500 0.0000000), wk = 0.0022026 k( 246) = ( -0.3593750 0.3593750 -0.0000000), wk = 0.0022026 k( 247) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0022026 k( 248) = ( -0.3906250 0.3906250 -0.0000000), wk = 0.0022026 k( 249) = ( -0.4062500 0.4062500 -0.0000000), wk = 0.0022026 k( 250) = ( -0.4218750 0.4218750 0.0000000), wk = 0.0022026 k( 251) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0022026 k( 252) = ( -0.4531250 0.4531250 0.0000000), wk = 0.0022026 k( 253) = ( -0.4687500 0.4687500 -0.0000000), wk = 0.0022026 k( 254) = ( -0.4843750 0.4843750 -0.0000000), wk = 0.0022026 k( 255) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022026 k( 256) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022026 k( 257) = ( -0.4947186 0.5052814 -0.0000000), wk = 0.0022026 k( 258) = ( -0.4894371 0.5105629 0.0000000), wk = 0.0022026 k( 259) = ( -0.4841557 0.5158443 -0.0000000), wk = 0.0022026 k( 260) = ( -0.4788743 0.5211257 -0.0000000), wk = 0.0022026 k( 261) = ( -0.4735928 0.5264072 -0.0000000), wk = 0.0022026 k( 262) = ( -0.4683114 0.5316886 -0.0000000), wk = 0.0022026 k( 263) = ( -0.4630300 0.5369700 0.0000000), wk = 0.0022026 k( 264) = ( -0.4577485 0.5422515 -0.0000000), wk = 0.0022026 k( 265) = ( -0.4524671 0.5475329 -0.0000000), wk = 0.0022026 k( 266) = ( -0.4471857 0.5528143 -0.0000000), wk = 0.0022026 k( 267) = ( -0.4419042 0.5580958 -0.0000000), wk = 0.0022026 k( 268) = ( -0.4366228 0.5633772 -0.0000000), wk = 0.0022026 k( 269) = ( -0.4313414 0.5686586 -0.0000000), wk = 0.0022026 k( 270) = ( -0.4260599 0.5739401 -0.0000000), wk = 0.0022026 k( 271) = ( -0.4207785 0.5792215 -0.0000000), wk = 0.0022026 k( 272) = ( -0.4154971 0.5845029 -0.0000000), wk = 0.0022026 k( 273) = ( -0.4102156 0.5897844 -0.0000000), wk = 0.0022026 k( 274) = ( -0.4049342 0.5950658 -0.0000000), wk = 0.0022026 k( 275) = ( -0.3996528 0.6003472 -0.0000000), wk = 0.0022026 k( 276) = ( -0.3943713 0.6056287 -0.0000000), wk = 0.0022026 k( 277) = ( -0.3890899 0.6109101 0.0000000), wk = 0.0022026 k( 278) = ( -0.3838085 0.6161915 0.0000000), wk = 0.0022026 k( 279) = ( -0.3785270 0.6214730 -0.0000000), wk = 0.0022026 k( 280) = ( -0.3732456 0.6267544 0.0000000), wk = 0.0022026 k( 281) = ( -0.3679642 0.6320358 -0.0000000), wk = 0.0022026 k( 282) = ( -0.3626827 0.6373173 -0.0000000), wk = 0.0022026 k( 283) = ( -0.3574013 0.6425987 0.0000000), wk = 0.0022026 k( 284) = ( -0.3521199 0.6478801 0.0000000), wk = 0.0022026 k( 285) = ( -0.3468384 0.6531616 -0.0000000), wk = 0.0022026 k( 286) = ( -0.3415570 0.6584430 0.0000000), wk = 0.0022026 k( 287) = ( -0.3362756 0.6637244 -0.0000000), wk = 0.0022026 k( 288) = ( -0.3309941 0.6690059 -0.0000000), wk = 0.0022026 k( 289) = ( -0.3257127 0.6742873 0.0000000), wk = 0.0022026 k( 290) = ( -0.3204313 0.6795687 -0.0000000), wk = 0.0022026 k( 291) = ( -0.3151498 0.6848502 -0.0000000), wk = 0.0022026 k( 292) = ( -0.3098684 0.6901316 -0.0000000), wk = 0.0022026 k( 293) = ( -0.3045870 0.6954130 -0.0000000), wk = 0.0022026 k( 294) = ( -0.2993055 0.7006945 0.0000000), wk = 0.0022026 k( 295) = ( -0.2940241 0.7059759 -0.0000000), wk = 0.0022026 k( 296) = ( -0.2887427 0.7112573 -0.0000000), wk = 0.0022026 k( 297) = ( -0.2834612 0.7165388 0.0000000), wk = 0.0022026 k( 298) = ( -0.2781798 0.7218202 0.0000000), wk = 0.0022026 k( 299) = ( -0.2781798 0.7218202 0.0000000), wk = 0.0022026 k( 300) = ( -0.2781798 0.7218202 0.0128205), wk = 0.0022026 k( 301) = ( -0.2781798 0.7218202 0.0256410), wk = 0.0022026 k( 302) = ( -0.2781798 0.7218202 0.0384615), wk = 0.0022026 k( 303) = ( -0.2781798 0.7218202 0.0512821), wk = 0.0022026 k( 304) = ( -0.2781798 0.7218202 0.0641026), wk = 0.0022026 k( 305) = ( -0.2781798 0.7218202 0.0769231), wk = 0.0022026 k( 306) = ( -0.2781798 0.7218202 0.0897436), wk = 0.0022026 k( 307) = ( -0.2781798 0.7218202 0.1025641), wk = 0.0022026 k( 308) = ( -0.2781798 0.7218202 0.1153846), wk = 0.0022026 k( 309) = ( -0.2781798 0.7218202 0.1282051), wk = 0.0022026 k( 310) = ( -0.2781798 0.7218202 0.1410256), wk = 0.0022026 k( 311) = ( -0.2781798 0.7218202 0.1538461), wk = 0.0022026 k( 312) = ( -0.2781798 0.7218202 0.1666667), wk = 0.0022026 k( 313) = ( -0.2781798 0.7218202 0.1794872), wk = 0.0022026 k( 314) = ( -0.2781798 0.7218202 0.1923077), wk = 0.0022026 k( 315) = ( -0.2781798 0.7218202 0.2051282), wk = 0.0022026 k( 316) = ( -0.2781798 0.7218202 0.2179487), wk = 0.0022026 k( 317) = ( -0.2781798 0.7218202 0.2307692), wk = 0.0022026 k( 318) = ( -0.2781798 0.7218202 0.2435897), wk = 0.0022026 k( 319) = ( -0.2781798 0.7218202 0.2564103), wk = 0.0022026 k( 320) = ( -0.2781798 0.7218202 0.2692308), wk = 0.0022026 k( 321) = ( -0.2781798 0.7218202 0.2820513), wk = 0.0022026 k( 322) = ( -0.2781798 0.7218202 0.2948718), wk = 0.0022026 k( 323) = ( -0.2781798 0.7218202 0.3076923), wk = 0.0022026 k( 324) = ( -0.2781798 0.7218202 0.3205128), wk = 0.0022026 k( 325) = ( -0.2781798 0.7218202 0.3333333), wk = 0.0022026 k( 326) = ( -0.2781798 0.7218202 0.3461538), wk = 0.0022026 k( 327) = ( -0.2781798 0.7218202 0.3589744), wk = 0.0022026 k( 328) = ( -0.2781798 0.7218202 0.3717949), wk = 0.0022026 k( 329) = ( -0.2781798 0.7218202 0.3846154), wk = 0.0022026 k( 330) = ( -0.2781798 0.7218202 0.3974359), wk = 0.0022026 k( 331) = ( -0.2781798 0.7218202 0.4102564), wk = 0.0022026 k( 332) = ( -0.2781798 0.7218202 0.4230769), wk = 0.0022026 k( 333) = ( -0.2781798 0.7218202 0.4358974), wk = 0.0022026 k( 334) = ( -0.2781798 0.7218202 0.4487180), wk = 0.0022026 k( 335) = ( -0.2781798 0.7218202 0.4615385), wk = 0.0022026 k( 336) = ( -0.2781798 0.7218202 0.4743590), wk = 0.0022026 k( 337) = ( -0.2781798 0.7218202 0.4871795), wk = 0.0022026 k( 338) = ( -0.2781798 0.7218202 0.5000000), wk = 0.0022026 k( 339) = ( -0.2781798 0.7218202 0.5000000), wk = 0.0022026 k( 340) = ( -0.2834612 0.7165388 0.5000000), wk = 0.0022026 k( 341) = ( -0.2887427 0.7112573 0.5000000), wk = 0.0022026 k( 342) = ( -0.2940241 0.7059759 0.5000000), wk = 0.0022026 k( 343) = ( -0.2993055 0.7006945 0.5000000), wk = 0.0022026 k( 344) = ( -0.3045870 0.6954130 0.5000000), wk = 0.0022026 k( 345) = ( -0.3098684 0.6901316 0.5000000), wk = 0.0022026 k( 346) = ( -0.3151498 0.6848502 0.5000000), wk = 0.0022026 k( 347) = ( -0.3204313 0.6795687 0.5000000), wk = 0.0022026 k( 348) = ( -0.3257127 0.6742873 0.5000000), wk = 0.0022026 k( 349) = ( -0.3309941 0.6690059 0.5000000), wk = 0.0022026 k( 350) = ( -0.3362756 0.6637244 0.5000000), wk = 0.0022026 k( 351) = ( -0.3415570 0.6584430 0.5000000), wk = 0.0022026 k( 352) = ( -0.3468384 0.6531616 0.5000000), wk = 0.0022026 k( 353) = ( -0.3521199 0.6478801 0.5000000), wk = 0.0022026 k( 354) = ( -0.3574013 0.6425987 0.5000000), wk = 0.0022026 k( 355) = ( -0.3626827 0.6373173 0.5000000), wk = 0.0022026 k( 356) = ( -0.3679642 0.6320358 0.5000000), wk = 0.0022026 k( 357) = ( -0.3732456 0.6267544 0.5000000), wk = 0.0022026 k( 358) = ( -0.3785270 0.6214730 0.5000000), wk = 0.0022026 k( 359) = ( -0.3838085 0.6161915 0.5000000), wk = 0.0022026 k( 360) = ( -0.3890899 0.6109101 0.5000000), wk = 0.0022026 k( 361) = ( -0.3943713 0.6056287 0.5000000), wk = 0.0022026 k( 362) = ( -0.3996528 0.6003472 0.5000000), wk = 0.0022026 k( 363) = ( -0.4049342 0.5950658 0.5000000), wk = 0.0022026 k( 364) = ( -0.4102156 0.5897844 0.5000000), wk = 0.0022026 k( 365) = ( -0.4154971 0.5845029 0.5000000), wk = 0.0022026 k( 366) = ( -0.4207785 0.5792215 0.5000000), wk = 0.0022026 k( 367) = ( -0.4260599 0.5739401 0.5000000), wk = 0.0022026 k( 368) = ( -0.4313414 0.5686586 0.5000000), wk = 0.0022026 k( 369) = ( -0.4366228 0.5633772 0.5000000), wk = 0.0022026 k( 370) = ( -0.4419042 0.5580958 0.5000000), wk = 0.0022026 k( 371) = ( -0.4471857 0.5528143 0.5000000), wk = 0.0022026 k( 372) = ( -0.4524671 0.5475329 0.5000000), wk = 0.0022026 k( 373) = ( -0.4577485 0.5422515 0.5000000), wk = 0.0022026 k( 374) = ( -0.4630300 0.5369700 0.5000000), wk = 0.0022026 k( 375) = ( -0.4683114 0.5316886 0.5000000), wk = 0.0022026 k( 376) = ( -0.4735928 0.5264072 0.5000000), wk = 0.0022026 k( 377) = ( -0.4788743 0.5211257 0.5000000), wk = 0.0022026 k( 378) = ( -0.4841557 0.5158443 0.5000000), wk = 0.0022026 k( 379) = ( -0.4894371 0.5105629 0.5000000), wk = 0.0022026 k( 380) = ( -0.4947186 0.5052814 0.5000000), wk = 0.0022026 k( 381) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022026 k( 382) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022026 k( 383) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0022026 k( 384) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0022026 k( 385) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0022026 k( 386) = ( -0.5000000 0.5000000 0.4487180), wk = 0.0022026 k( 387) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0022026 k( 388) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0022026 k( 389) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0022026 k( 390) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0022026 k( 391) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0022026 k( 392) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0022026 k( 393) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0022026 k( 394) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0022026 k( 395) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0022026 k( 396) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0022026 k( 397) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0022026 k( 398) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0022026 k( 399) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0022026 k( 400) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0022026 k( 401) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0022026 k( 402) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0022026 k( 403) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0022026 k( 404) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0022026 k( 405) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0022026 k( 406) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0022026 k( 407) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0022026 k( 408) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0022026 k( 409) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0022026 k( 410) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0022026 k( 411) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0022026 k( 412) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0022026 k( 413) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0022026 k( 414) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0022026 k( 415) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0022026 k( 416) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0022026 k( 417) = ( -0.5000000 0.5000000 0.0512821), wk = 0.0022026 k( 418) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0022026 k( 419) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0022026 k( 420) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0022026 k( 421) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022026 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 423) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0022026 k( 424) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0022026 k( 425) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0022026 k( 426) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0022026 k( 427) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0022026 k( 428) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0022026 k( 429) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0022026 k( 430) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0022026 k( 431) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0022026 k( 432) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0022026 k( 433) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0022026 k( 434) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0022026 k( 435) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0022026 k( 436) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0022026 k( 437) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0022026 k( 438) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0022026 k( 439) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0022026 k( 440) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0022026 k( 441) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0022026 k( 442) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0022026 k( 443) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0022026 k( 444) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0022026 k( 445) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0022026 k( 446) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0022026 k( 447) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0022026 k( 448) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0022026 k( 449) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0022026 k( 450) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0022026 k( 451) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0022026 k( 452) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0022026 k( 453) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0022026 k( 454) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022026 Dense grid: 26515 G-vectors FFT dimensions: ( 50, 50, 40) Smooth grid: 19813 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 122, 44) NL pseudopotentials 0.13 Mb ( 61, 136) Each V/rho on FFT grid 0.04 Mb ( 2500) Each G-vector array 0.00 Mb ( 553) G-vector shells 0.00 Mb ( 288) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 122, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000001 0.000000 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 43.4 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 46.8 secs Computing kpt #: 4 total cpu time spent up to now is 48.2 secs Computing kpt #: 5 total cpu time spent up to now is 49.6 secs Computing kpt #: 6 total cpu time spent up to now is 50.8 secs Computing kpt #: 7 total cpu time spent up to now is 52.0 secs Computing kpt #: 8 total cpu time spent up to now is 53.1 secs Computing kpt #: 9 total cpu time spent up to now is 54.2 secs Computing kpt #: 10 total cpu time spent up to now is 55.4 secs Computing kpt #: 11 total cpu time spent up to now is 56.6 secs Computing kpt #: 12 total cpu time spent up to now is 57.8 secs Computing kpt #: 13 total cpu time spent up to now is 58.9 secs Computing kpt #: 14 total cpu time spent up to now is 60.3 secs Computing kpt #: 15 total cpu time spent up to now is 61.5 secs Computing kpt #: 16 total cpu time spent up to now is 62.8 secs Computing kpt #: 17 total cpu time spent up to now is 64.2 secs Computing kpt #: 18 total cpu time spent up to now is 65.7 secs Computing kpt #: 19 total cpu time spent up to now is 67.1 secs Computing kpt #: 20 total cpu time spent up to now is 68.7 secs Computing kpt #: 21 total cpu time spent up to now is 70.3 secs Computing kpt #: 22 total cpu time spent up to now is 72.0 secs Computing kpt #: 23 total cpu time spent up to now is 73.7 secs Computing kpt #: 24 total cpu time spent up to now is 75.4 secs Computing kpt #: 25 total cpu time spent up to now is 77.0 secs Computing kpt #: 26 total cpu time spent up to now is 78.1 secs Computing kpt #: 27 total cpu time spent up to now is 79.2 secs Computing kpt #: 28 total cpu time spent up to now is 80.5 secs Computing kpt #: 29 total cpu time spent up to now is 82.2 secs Computing kpt #: 30 total cpu time spent up to now is 83.3 secs Computing kpt #: 31 total cpu time spent up to now is 84.4 secs Computing kpt #: 32 total cpu time spent up to now is 85.6 secs Computing kpt #: 33 total cpu time spent up to now is 87.0 secs Computing kpt #: 34 total cpu time spent up to now is 88.3 secs Computing kpt #: 35 total cpu time spent up to now is 89.4 secs Computing kpt #: 36 total cpu time spent up to now is 90.5 secs Computing kpt #: 37 total cpu time spent up to now is 91.7 secs Computing kpt #: 38 total cpu time spent up to now is 92.9 secs Computing kpt #: 39 total cpu time spent up to now is 94.1 secs Computing kpt #: 40 total cpu time spent up to now is 95.2 secs Computing kpt #: 41 total cpu time spent up to now is 96.2 secs Computing kpt #: 42 total cpu time spent up to now is 97.4 secs Computing kpt #: 43 total cpu time spent up to now is 98.6 secs Computing kpt #: 44 total cpu time spent up to now is 99.7 secs Computing kpt #: 45 total cpu time spent up to now is 100.7 secs Computing kpt #: 46 total cpu time spent up to now is 101.7 secs Computing kpt #: 47 total cpu time spent up to now is 102.7 secs Computing kpt #: 48 total cpu time spent up to now is 103.8 secs Computing kpt #: 49 total cpu time spent up to now is 105.2 secs Computing kpt #: 50 total cpu time spent up to now is 106.3 secs Computing kpt #: 51 total cpu time spent up to now is 107.4 secs Computing kpt #: 52 total cpu time spent up to now is 108.8 secs Computing kpt #: 53 total cpu time spent up to now is 110.0 secs Computing kpt #: 54 total cpu time spent up to now is 111.2 secs Computing kpt #: 55 total cpu time spent up to now is 112.6 secs Computing kpt #: 56 total cpu time spent up to now is 113.8 secs Computing kpt #: 57 total cpu time spent up to now is 115.0 secs Computing kpt #: 58 total cpu time spent up to now is 116.1 secs Computing kpt #: 59 total cpu time spent up to now is 117.3 secs Computing kpt #: 60 total cpu time spent up to now is 118.4 secs Computing kpt #: 61 total cpu time spent up to now is 119.4 secs Computing kpt #: 62 total cpu time spent up to now is 120.5 secs Computing kpt #: 63 total cpu time spent up to now is 121.5 secs Computing kpt #: 64 total cpu time spent up to now is 122.6 secs Computing kpt #: 65 total cpu time spent up to now is 123.6 secs Computing kpt #: 66 total cpu time spent up to now is 125.0 secs Computing kpt #: 67 total cpu time spent up to now is 126.0 secs Computing kpt #: 68 total cpu time spent up to now is 127.0 secs Computing kpt #: 69 total cpu time spent up to now is 128.0 secs Computing kpt #: 70 total cpu time spent up to now is 129.1 secs Computing kpt #: 71 total cpu time spent up to now is 130.6 secs Computing kpt #: 72 total cpu time spent up to now is 131.7 secs Computing kpt #: 73 total cpu time spent up to now is 132.8 secs Computing kpt #: 74 total cpu time spent up to now is 133.9 secs Computing kpt #: 75 total cpu time spent up to now is 134.9 secs Computing kpt #: 76 total cpu time spent up to now is 135.9 secs Computing kpt #: 77 total cpu time spent up to now is 137.0 secs Computing kpt #: 78 total cpu time spent up to now is 138.1 secs Computing kpt #: 79 total cpu time spent up to now is 139.1 secs Computing kpt #: 80 total cpu time spent up to now is 140.1 secs Computing kpt #: 81 total cpu time spent up to now is 141.1 secs Computing kpt #: 82 total cpu time spent up to now is 142.1 secs Computing kpt #: 83 total cpu time spent up to now is 143.2 secs Computing kpt #: 84 total cpu time spent up to now is 144.2 secs Computing kpt #: 85 total cpu time spent up to now is 145.2 secs Computing kpt #: 86 total cpu time spent up to now is 146.3 secs Computing kpt #: 87 total cpu time spent up to now is 147.4 secs Computing kpt #: 88 total cpu time spent up to now is 148.5 secs Computing kpt #: 89 total cpu time spent up to now is 149.6 secs Computing kpt #: 90 total cpu time spent up to now is 150.8 secs Computing kpt #: 91 total cpu time spent up to now is 151.9 secs Computing kpt #: 92 total cpu time spent up to now is 153.1 secs Computing kpt #: 93 total cpu time spent up to now is 154.3 secs Computing kpt #: 94 total cpu time spent up to now is 155.5 secs Computing kpt #: 95 total cpu time spent up to now is 156.9 secs Computing kpt #: 96 total cpu time spent up to now is 158.4 secs Computing kpt #: 97 total cpu time spent up to now is 159.6 secs Computing kpt #: 98 total cpu time spent up to now is 160.9 secs Computing kpt #: 99 total cpu time spent up to now is 162.7 secs Computing kpt #: 100 total cpu time spent up to now is 164.2 secs Computing kpt #: 101 total cpu time spent up to now is 165.5 secs Computing kpt #: 102 total cpu time spent up to now is 166.8 secs Computing kpt #: 103 total cpu time spent up to now is 168.5 secs Computing kpt #: 104 total cpu time spent up to now is 169.6 secs Computing kpt #: 105 total cpu time spent up to now is 170.6 secs Computing kpt #: 106 total cpu time spent up to now is 171.9 secs Computing kpt #: 107 total cpu time spent up to now is 173.1 secs Computing kpt #: 108 total cpu time spent up to now is 174.9 secs Computing kpt #: 109 total cpu time spent up to now is 176.0 secs Computing kpt #: 110 total cpu time spent up to now is 177.1 secs Computing kpt #: 111 total cpu time spent up to now is 178.1 secs Computing kpt #: 112 total cpu time spent up to now is 179.2 secs Computing kpt #: 113 total cpu time spent up to now is 181.4 secs Computing kpt #: 114 total cpu time spent up to now is 182.5 secs Computing kpt #: 115 total cpu time spent up to now is 183.5 secs Computing kpt #: 116 total cpu time spent up to now is 184.6 secs Computing kpt #: 117 total cpu time spent up to now is 185.6 secs Computing kpt #: 118 total cpu time spent up to now is 186.7 secs Computing kpt #: 119 total cpu time spent up to now is 187.7 secs Computing kpt #: 120 total cpu time spent up to now is 188.8 secs Computing kpt #: 121 total cpu time spent up to now is 190.0 secs Computing kpt #: 122 total cpu time spent up to now is 191.3 secs Computing kpt #: 123 total cpu time spent up to now is 192.3 secs Computing kpt #: 124 total cpu time spent up to now is 193.3 secs Computing kpt #: 125 total cpu time spent up to now is 194.4 secs Computing kpt #: 126 total cpu time spent up to now is 195.4 secs Computing kpt #: 127 total cpu time spent up to now is 196.8 secs Computing kpt #: 128 total cpu time spent up to now is 197.9 secs Computing kpt #: 129 total cpu time spent up to now is 198.9 secs Computing kpt #: 130 total cpu time spent up to now is 200.0 secs Computing kpt #: 131 total cpu time spent up to now is 201.0 secs Computing kpt #: 132 total cpu time spent up to now is 202.0 secs Computing kpt #: 133 total cpu time spent up to now is 203.0 secs Computing kpt #: 134 total cpu time spent up to now is 204.1 secs Computing kpt #: 135 total cpu time spent up to now is 205.1 secs Computing kpt #: 136 total cpu time spent up to now is 206.3 secs Computing kpt #: 137 total cpu time spent up to now is 207.3 secs Computing kpt #: 138 total cpu time spent up to now is 208.8 secs Computing kpt #: 139 total cpu time spent up to now is 209.8 secs Computing kpt #: 140 total cpu time spent up to now is 210.8 secs Computing kpt #: 141 total cpu time spent up to now is 211.9 secs Computing kpt #: 142 total cpu time spent up to now is 213.0 secs Computing kpt #: 143 total cpu time spent up to now is 214.1 secs Computing kpt #: 144 total cpu time spent up to now is 215.1 secs Computing kpt #: 145 total cpu time spent up to now is 216.2 secs Computing kpt #: 146 total cpu time spent up to now is 217.2 secs Computing kpt #: 147 total cpu time spent up to now is 218.4 secs Computing kpt #: 148 total cpu time spent up to now is 219.6 secs Computing kpt #: 149 total cpu time spent up to now is 220.7 secs Computing kpt #: 150 total cpu time spent up to now is 221.8 secs Computing kpt #: 151 total cpu time spent up to now is 222.8 secs Computing kpt #: 152 total cpu time spent up to now is 223.8 secs Computing kpt #: 153 total cpu time spent up to now is 225.0 secs Computing kpt #: 154 total cpu time spent up to now is 226.1 secs Computing kpt #: 155 total cpu time spent up to now is 227.3 secs Computing kpt #: 156 total cpu time spent up to now is 228.5 secs Computing kpt #: 157 total cpu time spent up to now is 229.6 secs Computing kpt #: 158 total cpu time spent up to now is 230.7 secs Computing kpt #: 159 total cpu time spent up to now is 231.8 secs Computing kpt #: 160 total cpu time spent up to now is 233.0 secs Computing kpt #: 161 total cpu time spent up to now is 234.1 secs Computing kpt #: 162 total cpu time spent up to now is 235.2 secs Computing kpt #: 163 total cpu time spent up to now is 236.4 secs Computing kpt #: 164 total cpu time spent up to now is 237.6 secs Computing kpt #: 165 total cpu time spent up to now is 238.7 secs Computing kpt #: 166 total cpu time spent up to now is 240.2 secs Computing kpt #: 167 total cpu time spent up to now is 241.4 secs Computing kpt #: 168 total cpu time spent up to now is 242.6 secs Computing kpt #: 169 total cpu time spent up to now is 243.8 secs Computing kpt #: 170 total cpu time spent up to now is 244.9 secs Computing kpt #: 171 total cpu time spent up to now is 246.0 secs Computing kpt #: 172 total cpu time spent up to now is 247.1 secs Computing kpt #: 173 total cpu time spent up to now is 248.2 secs Computing kpt #: 174 total cpu time spent up to now is 249.3 secs Computing kpt #: 175 total cpu time spent up to now is 250.4 secs Computing kpt #: 176 total cpu time spent up to now is 251.8 secs Computing kpt #: 177 total cpu time spent up to now is 252.8 secs Computing kpt #: 178 total cpu time spent up to now is 253.9 secs Computing kpt #: 179 total cpu time spent up to now is 255.0 secs Computing kpt #: 180 total cpu time spent up to now is 256.0 secs Computing kpt #: 181 total cpu time spent up to now is 257.1 secs Computing kpt #: 182 total cpu time spent up to now is 258.2 secs Computing kpt #: 183 total cpu time spent up to now is 259.2 secs Computing kpt #: 184 total cpu time spent up to now is 260.3 secs Computing kpt #: 185 total cpu time spent up to now is 261.4 secs Computing kpt #: 186 total cpu time spent up to now is 262.6 secs Computing kpt #: 187 total cpu time spent up to now is 263.8 secs Computing kpt #: 188 total cpu time spent up to now is 264.9 secs Computing kpt #: 189 total cpu time spent up to now is 266.0 secs Computing kpt #: 190 total cpu time spent up to now is 267.4 secs Computing kpt #: 191 total cpu time spent up to now is 268.5 secs Computing kpt #: 192 total cpu time spent up to now is 269.6 secs Computing kpt #: 193 total cpu time spent up to now is 270.7 secs Computing kpt #: 194 total cpu time spent up to now is 271.9 secs Computing kpt #: 195 total cpu time spent up to now is 273.3 secs Computing kpt #: 196 total cpu time spent up to now is 274.4 secs Computing kpt #: 197 total cpu time spent up to now is 275.6 secs Computing kpt #: 198 total cpu time spent up to now is 277.1 secs Computing kpt #: 199 total cpu time spent up to now is 278.5 secs Computing kpt #: 200 total cpu time spent up to now is 280.2 secs Computing kpt #: 201 total cpu time spent up to now is 282.1 secs Computing kpt #: 202 total cpu time spent up to now is 283.8 secs Computing kpt #: 203 total cpu time spent up to now is 285.4 secs Computing kpt #: 204 total cpu time spent up to now is 286.9 secs Computing kpt #: 205 total cpu time spent up to now is 288.2 secs Computing kpt #: 206 total cpu time spent up to now is 290.1 secs Computing kpt #: 207 total cpu time spent up to now is 291.5 secs Computing kpt #: 208 total cpu time spent up to now is 292.9 secs Computing kpt #: 209 total cpu time spent up to now is 294.4 secs Computing kpt #: 210 total cpu time spent up to now is 295.8 secs Computing kpt #: 211 total cpu time spent up to now is 297.5 secs Computing kpt #: 212 total cpu time spent up to now is 299.1 secs Computing kpt #: 213 total cpu time spent up to now is 300.7 secs Computing kpt #: 214 total cpu time spent up to now is 302.5 secs Computing kpt #: 215 total cpu time spent up to now is 304.3 secs Computing kpt #: 216 total cpu time spent up to now is 306.5 secs Computing kpt #: 217 total cpu time spent up to now is 308.2 secs Computing kpt #: 218 total cpu time spent up to now is 310.0 secs Computing kpt #: 219 total cpu time spent up to now is 311.7 secs Computing kpt #: 220 total cpu time spent up to now is 313.5 secs Computing kpt #: 221 total cpu time spent up to now is 315.2 secs Computing kpt #: 222 total cpu time spent up to now is 316.9 secs Computing kpt #: 223 total cpu time spent up to now is 318.6 secs Computing kpt #: 224 total cpu time spent up to now is 320.5 secs Computing kpt #: 225 total cpu time spent up to now is 322.2 secs Computing kpt #: 226 total cpu time spent up to now is 323.9 secs Computing kpt #: 227 total cpu time spent up to now is 325.6 secs Computing kpt #: 228 total cpu time spent up to now is 327.5 secs Computing kpt #: 229 total cpu time spent up to now is 329.3 secs Computing kpt #: 230 total cpu time spent up to now is 331.1 secs Computing kpt #: 231 total cpu time spent up to now is 332.7 secs Computing kpt #: 232 total cpu time spent up to now is 334.4 secs Computing kpt #: 233 total cpu time spent up to now is 335.8 secs Computing kpt #: 234 total cpu time spent up to now is 337.1 secs Computing kpt #: 235 total cpu time spent up to now is 338.5 secs Computing kpt #: 236 total cpu time spent up to now is 340.0 secs Computing kpt #: 237 total cpu time spent up to now is 341.3 secs Computing kpt #: 238 total cpu time spent up to now is 342.5 secs Computing kpt #: 239 total cpu time spent up to now is 343.8 secs Computing kpt #: 240 total cpu time spent up to now is 345.0 secs Computing kpt #: 241 total cpu time spent up to now is 346.1 secs Computing kpt #: 242 total cpu time spent up to now is 347.3 secs Computing kpt #: 243 total cpu time spent up to now is 348.5 secs Computing kpt #: 244 total cpu time spent up to now is 350.2 secs Computing kpt #: 245 total cpu time spent up to now is 351.3 secs Computing kpt #: 246 total cpu time spent up to now is 352.6 secs Computing kpt #: 247 total cpu time spent up to now is 353.7 secs Computing kpt #: 248 total cpu time spent up to now is 354.8 secs Computing kpt #: 249 total cpu time spent up to now is 355.9 secs Computing kpt #: 250 total cpu time spent up to now is 357.1 secs Computing kpt #: 251 total cpu time spent up to now is 358.3 secs Computing kpt #: 252 total cpu time spent up to now is 359.4 secs Computing kpt #: 253 total cpu time spent up to now is 360.5 secs Computing kpt #: 254 total cpu time spent up to now is 362.2 secs Computing kpt #: 255 total cpu time spent up to now is 363.4 secs Computing kpt #: 256 total cpu time spent up to now is 364.6 secs Computing kpt #: 257 total cpu time spent up to now is 365.9 secs Computing kpt #: 258 total cpu time spent up to now is 367.2 secs Computing kpt #: 259 total cpu time spent up to now is 368.4 secs Computing kpt #: 260 total cpu time spent up to now is 369.5 secs Computing kpt #: 261 total cpu time spent up to now is 370.8 secs Computing kpt #: 262 total cpu time spent up to now is 372.4 secs Computing kpt #: 263 total cpu time spent up to now is 373.8 secs Computing kpt #: 264 total cpu time spent up to now is 375.1 secs Computing kpt #: 265 total cpu time spent up to now is 376.5 secs Computing kpt #: 266 total cpu time spent up to now is 378.1 secs Computing kpt #: 267 total cpu time spent up to now is 379.7 secs Computing kpt #: 268 total cpu time spent up to now is 380.9 secs Computing kpt #: 269 total cpu time spent up to now is 382.0 secs Computing kpt #: 270 total cpu time spent up to now is 383.2 secs Computing kpt #: 271 total cpu time spent up to now is 384.5 secs Computing kpt #: 272 total cpu time spent up to now is 385.6 secs Computing kpt #: 273 total cpu time spent up to now is 386.6 secs Computing kpt #: 274 total cpu time spent up to now is 387.7 secs Computing kpt #: 275 total cpu time spent up to now is 389.0 secs Computing kpt #: 276 total cpu time spent up to now is 390.2 secs Computing kpt #: 277 total cpu time spent up to now is 391.4 secs Computing kpt #: 278 total cpu time spent up to now is 392.4 secs Computing kpt #: 279 total cpu time spent up to now is 393.4 secs Computing kpt #: 280 total cpu time spent up to now is 394.5 secs Computing kpt #: 281 total cpu time spent up to now is 395.5 secs Computing kpt #: 282 total cpu time spent up to now is 396.6 secs Computing kpt #: 283 total cpu time spent up to now is 397.7 secs Computing kpt #: 284 total cpu time spent up to now is 398.8 secs Computing kpt #: 285 total cpu time spent up to now is 399.8 secs Computing kpt #: 286 total cpu time spent up to now is 400.9 secs Computing kpt #: 287 total cpu time spent up to now is 402.1 secs Computing kpt #: 288 total cpu time spent up to now is 403.3 secs Computing kpt #: 289 total cpu time spent up to now is 404.5 secs Computing kpt #: 290 total cpu time spent up to now is 405.6 secs Computing kpt #: 291 total cpu time spent up to now is 406.6 secs Computing kpt #: 292 total cpu time spent up to now is 407.6 secs Computing kpt #: 293 total cpu time spent up to now is 408.9 secs Computing kpt #: 294 total cpu time spent up to now is 410.0 secs Computing kpt #: 295 total cpu time spent up to now is 411.0 secs Computing kpt #: 296 total cpu time spent up to now is 411.9 secs Computing kpt #: 297 total cpu time spent up to now is 413.0 secs Computing kpt #: 298 total cpu time spent up to now is 414.0 secs Computing kpt #: 299 total cpu time spent up to now is 415.1 secs Computing kpt #: 300 total cpu time spent up to now is 416.1 secs Computing kpt #: 301 total cpu time spent up to now is 417.1 secs Computing kpt #: 302 total cpu time spent up to now is 418.1 secs Computing kpt #: 303 total cpu time spent up to now is 419.3 secs Computing kpt #: 304 total cpu time spent up to now is 420.5 secs Computing kpt #: 305 total cpu time spent up to now is 421.4 secs Computing kpt #: 306 total cpu time spent up to now is 422.3 secs Computing kpt #: 307 total cpu time spent up to now is 423.3 secs Computing kpt #: 308 total cpu time spent up to now is 424.3 secs Computing kpt #: 309 total cpu time spent up to now is 425.4 secs Computing kpt #: 310 total cpu time spent up to now is 426.4 secs Computing kpt #: 311 total cpu time spent up to now is 427.4 secs Computing kpt #: 312 total cpu time spent up to now is 428.4 secs Computing kpt #: 313 total cpu time spent up to now is 429.4 secs Computing kpt #: 314 total cpu time spent up to now is 430.6 secs Computing kpt #: 315 total cpu time spent up to now is 431.7 secs Computing kpt #: 316 total cpu time spent up to now is 432.7 secs Computing kpt #: 317 total cpu time spent up to now is 433.7 secs Computing kpt #: 318 total cpu time spent up to now is 434.7 secs Computing kpt #: 319 total cpu time spent up to now is 435.9 secs Computing kpt #: 320 total cpu time spent up to now is 437.0 secs Computing kpt #: 321 total cpu time spent up to now is 438.1 secs Computing kpt #: 322 total cpu time spent up to now is 439.1 secs Computing kpt #: 323 total cpu time spent up to now is 440.2 secs Computing kpt #: 324 total cpu time spent up to now is 441.2 secs Computing kpt #: 325 total cpu time spent up to now is 442.4 secs Computing kpt #: 326 total cpu time spent up to now is 443.4 secs Computing kpt #: 327 total cpu time spent up to now is 444.5 secs Computing kpt #: 328 total cpu time spent up to now is 445.6 secs Computing kpt #: 329 total cpu time spent up to now is 446.7 secs Computing kpt #: 330 total cpu time spent up to now is 447.8 secs Computing kpt #: 331 total cpu time spent up to now is 449.4 secs Computing kpt #: 332 total cpu time spent up to now is 450.6 secs Computing kpt #: 333 total cpu time spent up to now is 451.6 secs Computing kpt #: 334 total cpu time spent up to now is 452.6 secs Computing kpt #: 335 total cpu time spent up to now is 453.6 secs Computing kpt #: 336 total cpu time spent up to now is 454.9 secs Computing kpt #: 337 total cpu time spent up to now is 456.0 secs Computing kpt #: 338 total cpu time spent up to now is 457.0 secs Computing kpt #: 339 total cpu time spent up to now is 458.1 secs Computing kpt #: 340 total cpu time spent up to now is 459.1 secs Computing kpt #: 341 total cpu time spent up to now is 460.0 secs Computing kpt #: 342 total cpu time spent up to now is 461.0 secs Computing kpt #: 343 total cpu time spent up to now is 462.1 secs Computing kpt #: 344 total cpu time spent up to now is 463.2 secs Computing kpt #: 345 total cpu time spent up to now is 464.2 secs Computing kpt #: 346 total cpu time spent up to now is 465.2 secs Computing kpt #: 347 total cpu time spent up to now is 466.2 secs Computing kpt #: 348 total cpu time spent up to now is 467.2 secs Computing kpt #: 349 total cpu time spent up to now is 468.3 secs Computing kpt #: 350 total cpu time spent up to now is 469.5 secs Computing kpt #: 351 total cpu time spent up to now is 470.5 secs Computing kpt #: 352 total cpu time spent up to now is 471.5 secs Computing kpt #: 353 total cpu time spent up to now is 472.5 secs Computing kpt #: 354 total cpu time spent up to now is 473.5 secs Computing kpt #: 355 total cpu time spent up to now is 474.6 secs Computing kpt #: 356 total cpu time spent up to now is 475.6 secs Computing kpt #: 357 total cpu time spent up to now is 476.9 secs Computing kpt #: 358 total cpu time spent up to now is 477.8 secs Computing kpt #: 359 total cpu time spent up to now is 478.8 secs Computing kpt #: 360 total cpu time spent up to now is 479.8 secs Computing kpt #: 361 total cpu time spent up to now is 480.8 secs Computing kpt #: 362 total cpu time spent up to now is 481.8 secs Computing kpt #: 363 total cpu time spent up to now is 482.9 secs Computing kpt #: 364 total cpu time spent up to now is 483.9 secs Computing kpt #: 365 total cpu time spent up to now is 485.0 secs Computing kpt #: 366 total cpu time spent up to now is 486.0 secs Computing kpt #: 367 total cpu time spent up to now is 487.1 secs Computing kpt #: 368 total cpu time spent up to now is 488.1 secs Computing kpt #: 369 total cpu time spent up to now is 489.1 secs Computing kpt #: 370 total cpu time spent up to now is 490.1 secs Computing kpt #: 371 total cpu time spent up to now is 491.3 secs Computing kpt #: 372 total cpu time spent up to now is 492.3 secs Computing kpt #: 373 total cpu time spent up to now is 493.4 secs Computing kpt #: 374 total cpu time spent up to now is 494.5 secs Computing kpt #: 375 total cpu time spent up to now is 495.5 secs Computing kpt #: 376 total cpu time spent up to now is 496.5 secs Computing kpt #: 377 total cpu time spent up to now is 497.5 secs Computing kpt #: 378 total cpu time spent up to now is 498.5 secs Computing kpt #: 379 total cpu time spent up to now is 499.6 secs Computing kpt #: 380 total cpu time spent up to now is 500.7 secs Computing kpt #: 381 total cpu time spent up to now is 501.8 secs Computing kpt #: 382 total cpu time spent up to now is 502.8 secs Computing kpt #: 383 total cpu time spent up to now is 503.8 secs Computing kpt #: 384 total cpu time spent up to now is 504.9 secs Computing kpt #: 385 total cpu time spent up to now is 505.9 secs Computing kpt #: 386 total cpu time spent up to now is 507.1 secs Computing kpt #: 387 total cpu time spent up to now is 508.2 secs Computing kpt #: 388 total cpu time spent up to now is 509.3 secs Computing kpt #: 389 total cpu time spent up to now is 510.4 secs Computing kpt #: 390 total cpu time spent up to now is 511.4 secs Computing kpt #: 391 total cpu time spent up to now is 512.7 secs Computing kpt #: 392 total cpu time spent up to now is 514.0 secs Computing kpt #: 393 total cpu time spent up to now is 515.3 secs Computing kpt #: 394 total cpu time spent up to now is 516.4 secs Computing kpt #: 395 total cpu time spent up to now is 517.4 secs Computing kpt #: 396 total cpu time spent up to now is 518.4 secs Computing kpt #: 397 total cpu time spent up to now is 519.3 secs Computing kpt #: 398 total cpu time spent up to now is 520.2 secs Computing kpt #: 399 total cpu time spent up to now is 521.1 secs Computing kpt #: 400 total cpu time spent up to now is 522.1 secs Computing kpt #: 401 total cpu time spent up to now is 523.0 secs Computing kpt #: 402 total cpu time spent up to now is 524.0 secs Computing kpt #: 403 total cpu time spent up to now is 525.1 secs Computing kpt #: 404 total cpu time spent up to now is 527.0 secs Computing kpt #: 405 total cpu time spent up to now is 527.9 secs Computing kpt #: 406 total cpu time spent up to now is 528.9 secs Computing kpt #: 407 total cpu time spent up to now is 529.9 secs Computing kpt #: 408 total cpu time spent up to now is 530.9 secs Computing kpt #: 409 total cpu time spent up to now is 532.8 secs Computing kpt #: 410 total cpu time spent up to now is 533.9 secs Computing kpt #: 411 total cpu time spent up to now is 534.9 secs Computing kpt #: 412 total cpu time spent up to now is 535.9 secs Computing kpt #: 413 total cpu time spent up to now is 537.0 secs Computing kpt #: 414 total cpu time spent up to now is 538.1 secs Computing kpt #: 415 total cpu time spent up to now is 539.3 secs Computing kpt #: 416 total cpu time spent up to now is 541.0 secs Computing kpt #: 417 total cpu time spent up to now is 542.4 secs Computing kpt #: 418 total cpu time spent up to now is 543.8 secs Computing kpt #: 419 total cpu time spent up to now is 544.9 secs Computing kpt #: 420 total cpu time spent up to now is 546.1 secs Computing kpt #: 421 total cpu time spent up to now is 547.3 secs Computing kpt #: 422 total cpu time spent up to now is 548.4 secs Computing kpt #: 423 total cpu time spent up to now is 549.5 secs Computing kpt #: 424 total cpu time spent up to now is 550.6 secs Computing kpt #: 425 total cpu time spent up to now is 551.7 secs Computing kpt #: 426 total cpu time spent up to now is 552.8 secs Computing kpt #: 427 total cpu time spent up to now is 553.9 secs Computing kpt #: 428 total cpu time spent up to now is 554.9 secs Computing kpt #: 429 total cpu time spent up to now is 556.1 secs Computing kpt #: 430 total cpu time spent up to now is 557.2 secs Computing kpt #: 431 total cpu time spent up to now is 558.2 secs Computing kpt #: 432 total cpu time spent up to now is 559.7 secs Computing kpt #: 433 total cpu time spent up to now is 560.9 secs Computing kpt #: 434 total cpu time spent up to now is 562.1 secs Computing kpt #: 435 total cpu time spent up to now is 563.2 secs Computing kpt #: 436 total cpu time spent up to now is 564.3 secs Computing kpt #: 437 total cpu time spent up to now is 565.4 secs Computing kpt #: 438 total cpu time spent up to now is 566.5 secs Computing kpt #: 439 total cpu time spent up to now is 567.9 secs Computing kpt #: 440 total cpu time spent up to now is 569.1 secs Computing kpt #: 441 total cpu time spent up to now is 570.5 secs Computing kpt #: 442 total cpu time spent up to now is 571.5 secs Computing kpt #: 443 total cpu time spent up to now is 572.6 secs Computing kpt #: 444 total cpu time spent up to now is 573.7 secs Computing kpt #: 445 total cpu time spent up to now is 574.8 secs Computing kpt #: 446 total cpu time spent up to now is 576.0 secs Computing kpt #: 447 total cpu time spent up to now is 577.1 secs Computing kpt #: 448 total cpu time spent up to now is 578.2 secs Computing kpt #: 449 total cpu time spent up to now is 579.2 secs Computing kpt #: 450 total cpu time spent up to now is 580.3 secs Computing kpt #: 451 total cpu time spent up to now is 581.3 secs Computing kpt #: 452 total cpu time spent up to now is 582.4 secs Computing kpt #: 453 total cpu time spent up to now is 583.5 secs Computing kpt #: 454 total cpu time spent up to now is 584.6 secs ethr = 2.78E-11, avg # of iterations = 29.9 total cpu time spent up to now is 584.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2463 PWs) bands (ev): -6.7044 -6.7044 -5.7144 -5.7144 3.6975 3.6975 4.7508 4.7508 5.5060 5.5060 5.5718 5.5718 5.5798 5.5798 5.7525 5.7525 6.0322 6.0322 6.1933 6.1933 6.3274 6.3274 6.5509 6.5509 6.7211 6.7211 7.0053 7.0053 7.2165 7.2165 7.3686 7.3686 7.8470 7.8470 8.1978 8.1978 9.9427 9.9427 12.3399 12.3399 17.4733 17.4733 18.4137 18.4137 k = 0.0053 0.0159-0.0000 ( 2463 PWs) bands (ev): -6.7038 -6.7038 -5.7141 -5.7141 3.6977 3.6977 4.7490 4.7490 5.4948 5.4948 5.5520 5.5520 5.6018 5.6018 5.7546 5.7546 6.0332 6.0332 6.1909 6.1909 6.3283 6.3283 6.5497 6.5497 6.7280 6.7280 7.0051 7.0051 7.2170 7.2170 7.3651 7.3651 7.8481 7.8481 8.1976 8.1976 9.9495 9.9495 12.3418 12.3418 17.4756 17.4756 18.4081 18.4081 k = 0.0107 0.0319-0.0000 ( 2455 PWs) bands (ev): -6.7018 -6.7018 -5.7132 -5.7132 3.6983 3.6983 4.7436 4.7436 5.4641 5.4641 5.5360 5.5360 5.6204 5.6204 5.7629 5.7629 6.0357 6.0357 6.1818 6.1818 6.3335 6.3335 6.5471 6.5471 6.7471 6.7471 7.0047 7.0047 7.2189 7.2189 7.3548 7.3548 7.8516 7.8516 8.1973 8.1973 9.9698 9.9698 12.3476 12.3476 17.4825 17.4825 18.3808 18.3808 k = 0.0160 0.0478-0.0000 ( 2463 PWs) bands (ev): -6.6986 -6.6986 -5.7116 -5.7116 3.6992 3.6992 4.7347 4.7347 5.4224 5.4224 5.5220 5.5220 5.6275 5.6275 5.7800 5.7800 6.0385 6.0385 6.1630 6.1630 6.3474 6.3474 6.5444 6.5444 6.7747 6.7747 7.0040 7.0040 7.2219 7.2219 7.3385 7.3385 7.8573 7.8573 8.1966 8.1966 10.0029 10.0029 12.3572 12.3572 17.4939 17.4939 18.3147 18.3147 k = 0.0214 0.0637-0.0000 ( 2463 PWs) bands (ev): -6.6941 -6.6941 -5.7094 -5.7094 3.7006 3.7006 4.7222 4.7222 5.3750 5.3750 5.5065 5.5065 5.6238 5.6238 5.8051 5.8051 6.0405 6.0405 6.1340 6.1340 6.3725 6.3725 6.5428 6.5428 6.8073 6.8073 7.0033 7.0033 7.2259 7.2259 7.3175 7.3175 7.8655 7.8655 8.1959 8.1959 10.0480 10.0480 12.3705 12.3705 17.5097 17.5097 18.2175 18.2175 k = 0.0267 0.0797-0.0000 ( 2459 PWs) bands (ev): -6.6883 -6.6883 -5.7067 -5.7067 3.7022 3.7022 4.7064 4.7064 5.3238 5.3238 5.4886 5.4886 5.6129 5.6129 5.8348 5.8348 6.0409 6.0409 6.0971 6.0971 6.4075 6.4075 6.5424 6.5424 6.8423 6.8423 7.0027 7.0027 7.2302 7.2302 7.2939 7.2939 7.8760 7.8760 8.1952 8.1952 10.1039 10.1039 12.3872 12.3872 17.5296 17.5296 18.1003 18.1003 k = 0.0321 0.0956-0.0000 ( 2457 PWs) bands (ev): -6.6813 -6.6813 -5.7033 -5.7033 3.7043 3.7043 4.6872 4.6872 5.2695 5.2695 5.4687 5.4687 5.5972 5.5972 5.8665 5.8665 6.0367 6.0367 6.0575 6.0575 6.4505 6.4505 6.5434 6.5434 6.8774 6.8774 7.0030 7.0030 7.2318 7.2318 7.2720 7.2720 7.8891 7.8891 8.1947 8.1947 10.1693 10.1693 12.4073 12.4073 17.5534 17.5534 17.9695 17.9695 k = 0.0374 0.1115-0.0000 ( 2457 PWs) bands (ev): -6.6730 -6.6730 -5.6994 -5.6994 3.7066 3.7066 4.6649 4.6649 5.2124 5.2124 5.4473 5.4473 5.5780 5.5780 5.8987 5.8987 6.0024 6.0024 6.0433 6.0433 6.4995 6.4995 6.5456 6.5456 6.9103 6.9103 7.0051 7.0051 7.2208 7.2208 7.2633 7.2633 7.9046 7.9046 8.1947 8.1947 10.2429 10.2429 12.4305 12.4305 17.5807 17.5807 17.8290 17.8290 k = 0.0428 0.1275-0.0000 ( 2457 PWs) bands (ev): -6.6635 -6.6635 -5.6949 -5.6949 3.7091 3.7091 4.6398 4.6398 5.1526 5.1526 5.4245 5.4245 5.5559 5.5559 5.9301 5.9301 5.9536 5.9536 6.0409 6.0409 6.5453 6.5453 6.5567 6.5567 6.9380 6.9380 7.0115 7.0115 7.1976 7.1976 7.2686 7.2686 7.9226 7.9226 8.1953 8.1953 10.3236 10.3236 12.4566 12.4566 17.6110 17.6110 17.6815 17.6815 k = 0.0481 0.1434-0.0000 ( 2465 PWs) bands (ev): -6.6528 -6.6528 -5.6899 -5.6899 3.7119 3.7119 4.6121 4.6121 5.0905 5.0905 5.3996 5.3996 5.5315 5.5315 5.9010 5.9010 5.9610 5.9610 6.0403 6.0403 6.5514 6.5514 6.6115 6.6115 6.9570 6.9570 7.0253 7.0253 7.1724 7.1724 7.2788 7.2788 7.9429 7.9429 8.1970 8.1970 10.4101 10.4101 12.4854 12.4854 17.5285 17.5285 17.6441 17.6441 k = 0.0535 0.1593-0.0000 ( 2465 PWs) bands (ev): -6.6409 -6.6409 -5.6845 -5.6845 3.7149 3.7149 4.5821 4.5821 5.0263 5.0263 5.3713 5.3713 5.5061 5.5061 5.8477 5.8477 5.9880 5.9880 6.0433 6.0433 6.5561 6.5561 6.6709 6.6709 6.9677 6.9677 7.0464 7.0464 7.1484 7.1484 7.2916 7.2916 7.9652 7.9652 8.2004 8.2004 10.5016 10.5016 12.5165 12.5165 17.3720 17.3720 17.6789 17.6789 k = 0.0588 0.1753-0.0000 ( 2461 PWs) bands (ev): -6.6279 -6.6279 -5.6785 -5.6785 3.7181 3.7181 4.5502 4.5502 4.9602 4.9602 5.3375 5.3375 5.4814 5.4814 5.7938 5.7938 6.0076 6.0076 6.0543 6.0543 6.5611 6.5611 6.7310 6.7310 6.9748 6.9748 7.0705 7.0705 7.1270 7.1270 7.3061 7.3061 7.9890 7.9890 8.2059 8.2059 10.5969 10.5969 12.5497 12.5497 17.2128 17.2128 17.7148 17.7148 k = 0.0642 0.1912-0.0000 ( 2465 PWs) bands (ev): -6.6137 -6.6137 -5.6722 -5.6722 3.7212 3.7212 4.5167 4.5167 4.8926 4.8926 5.2964 5.2964 5.4593 5.4593 5.7399 5.7399 6.0178 6.0178 6.0753 6.0753 6.5663 6.5663 6.7894 6.7894 6.9833 6.9833 7.0946 7.0946 7.1088 7.1088 7.3223 7.3223 8.0135 8.0135 8.2146 8.2146 10.6953 10.6953 12.5847 12.5847 17.0515 17.0515 17.7511 17.7511 k = 0.0695 0.2071-0.0000 ( 2465 PWs) bands (ev): -6.5985 -6.5985 -5.6654 -5.6654 3.7244 3.7244 4.4819 4.4819 4.8238 4.8238 5.2468 5.2468 5.4406 5.4406 5.6867 5.6867 6.0238 6.0238 6.1016 6.1016 6.5716 6.5716 6.8416 6.8416 6.9981 6.9981 7.0943 7.0943 7.1176 7.1176 7.3400 7.3400 8.0376 8.0376 8.2274 8.2274 10.7962 10.7962 12.6214 12.6214 16.8890 16.8890 17.7868 17.7868 k = 0.0749 0.2231-0.0000 ( 2467 PWs) bands (ev): -6.5823 -6.5823 -5.6583 -5.6583 3.7275 3.7275 4.4463 4.4463 4.7539 4.7539 5.1893 5.1893 5.4252 5.4252 5.6349 5.6349 6.0292 6.0292 6.1292 6.1292 6.5768 6.5768 6.8806 6.8806 7.0241 7.0241 7.0854 7.0854 7.1393 7.1393 7.3591 7.3591 8.0602 8.0602 8.2455 8.2455 10.8989 10.8989 12.6595 12.6595 16.7257 16.7257 17.8209 17.8209 k = 0.0802 0.2390-0.0000 ( 2467 PWs) bands (ev): -6.5650 -6.5650 -5.6509 -5.6509 3.7303 3.7303 4.4101 4.4101 4.6834 4.6834 5.1248 5.1248 5.4117 5.4117 5.5854 5.5854 6.0353 6.0353 6.1566 6.1566 6.5816 6.5816 6.9037 6.9037 7.0512 7.0512 7.0939 7.0939 7.1608 7.1608 7.3797 7.3797 8.0802 8.0802 8.2697 8.2697 11.0028 11.0028 12.6988 12.6988 16.5621 16.5621 17.8523 17.8523 k = 0.0856 0.2549-0.0000 ( 2463 PWs) bands (ev): -6.5468 -6.5468 -5.6433 -5.6433 3.7327 3.7327 4.3734 4.3734 4.6125 4.6125 5.0548 5.0548 5.3986 5.3986 5.5393 5.5393 6.0426 6.0426 6.1833 6.1833 6.5859 6.5859 6.9161 6.9161 7.0561 7.0561 7.1327 7.1327 7.1870 7.1870 7.4022 7.4022 8.0973 8.0973 8.3000 8.3000 11.1076 11.1076 12.7391 12.7391 16.3986 16.3986 17.8800 17.8800 k = 0.0909 0.2709-0.0000 ( 2471 PWs) bands (ev): -6.5277 -6.5277 -5.6354 -5.6354 3.7347 3.7347 4.3367 4.3367 4.5415 4.5415 4.9805 4.9805 5.3831 5.3831 5.4991 5.4991 6.0509 6.0509 6.2086 6.2086 6.5897 6.5897 6.9235 6.9235 7.0552 7.0552 7.1664 7.1664 7.2303 7.2303 7.4272 7.4272 8.1120 8.1120 8.3358 8.3358 11.2127 11.2127 12.7802 12.7802 16.2355 16.2355 17.9029 17.9029 k = 0.0963 0.2868-0.0000 ( 2475 PWs) bands (ev): -6.5077 -6.5077 -5.6275 -5.6275 3.7358 3.7358 4.3000 4.3000 4.4707 4.4707 4.9032 4.9032 5.3613 5.3613 5.4680 5.4680 6.0602 6.0602 6.2320 6.2320 6.5930 6.5930 6.9292 6.9292 7.0554 7.0554 7.1858 7.1858 7.2885 7.2885 7.4560 7.4560 8.1250 8.1250 8.3761 8.3761 11.3180 11.3180 12.8221 12.8221 16.0733 16.0733 17.9201 17.9201 k = 0.1016 0.3027-0.0000 ( 2479 PWs) bands (ev): -6.4869 -6.4869 -5.6194 -5.6194 3.7360 3.7360 4.2634 4.2634 4.4005 4.4005 4.8242 4.8242 5.3310 5.3310 5.4482 5.4482 6.0706 6.0706 6.2528 6.2528 6.5961 6.5961 6.9349 6.9349 7.0573 7.0573 7.1994 7.1994 7.3483 7.3483 7.4912 7.4912 8.1370 8.1370 8.4199 8.4199 11.4232 11.4232 12.8645 12.8645 15.9122 15.9122 17.9307 17.9307 k = 0.1070 0.3187-0.0000 ( 2479 PWs) bands (ev): -6.4653 -6.4653 -5.6112 -5.6112 3.7347 3.7347 4.2271 4.2271 4.3313 4.3313 4.7448 4.7448 5.2942 5.2942 5.4374 5.4374 6.0816 6.0816 6.2706 6.2706 6.5992 6.5992 6.9414 6.9414 7.0611 7.0611 7.2102 7.2102 7.4019 7.4019 7.5365 7.5365 8.1488 8.1488 8.4661 8.4661 11.5278 11.5278 12.9075 12.9075 15.7526 15.7526 17.9335 17.9335 k = 0.1123 0.3346-0.0000 ( 2483 PWs) bands (ev): -6.4431 -6.4431 -5.6031 -5.6031 3.7316 3.7316 4.1905 4.1905 4.2639 4.2639 4.6660 4.6660 5.2541 5.2541 5.4321 5.4321 6.0932 6.0932 6.2845 6.2845 6.6028 6.6028 6.9491 6.9491 7.0666 7.0666 7.2192 7.2192 7.4461 7.4461 7.5937 7.5937 8.1606 8.1606 8.5141 8.5141 11.6318 11.6318 12.9510 12.9510 15.5947 15.5947 17.9267 17.9267 k = 0.1177 0.3505-0.0000 ( 2481 PWs) bands (ev): -6.4202 -6.4202 -5.5951 -5.5951 3.7262 3.7262 4.1523 4.1523 4.2001 4.2001 4.5891 4.5891 5.2129 5.2129 5.4299 5.4299 6.1052 6.1052 6.2941 6.2941 6.6073 6.6073 6.9584 6.9584 7.0736 7.0736 7.2269 7.2269 7.4826 7.4826 7.6605 7.6605 8.1728 8.1728 8.5633 8.5633 11.7350 11.7350 12.9949 12.9949 15.4390 15.4390 17.9044 17.9044 k = 0.1230 0.3665-0.0000 ( 2481 PWs) bands (ev): -6.3968 -6.3968 -5.5872 -5.5872 3.7176 3.7176 4.1069 4.1069 4.1456 4.1456 4.5154 4.5154 5.1716 5.1716 5.4298 5.4298 6.1171 6.1171 6.2989 6.2989 6.6131 6.6131 6.9694 6.9694 7.0819 7.0819 7.2336 7.2336 7.5148 7.5148 7.7332 7.7332 8.1856 8.1856 8.6130 8.6130 11.8370 11.8370 13.0393 13.0393 15.2858 15.2858 17.8486 17.8486 k = 0.1284 0.3824-0.0000 ( 2477 PWs) bands (ev): -6.3729 -6.3729 -5.5796 -5.5796 3.7051 3.7051 4.0507 4.0507 4.1047 4.1047 4.4462 4.4462 5.1309 5.1309 5.4311 5.4311 6.1288 6.1288 6.2991 6.2991 6.6204 6.6204 6.9819 6.9819 7.0913 7.0913 7.2395 7.2395 7.5451 7.5451 7.8090 7.8090 8.1991 8.1991 8.6629 8.6629 11.9377 11.9377 13.0841 13.0841 15.1355 15.1355 17.7471 17.7471 k = 0.1337 0.3983-0.0000 ( 2477 PWs) bands (ev): -6.3486 -6.3486 -5.5722 -5.5722 3.6877 3.6877 3.9905 3.9905 4.0706 4.0706 4.3830 4.3830 5.0910 5.0910 5.4333 5.4333 6.1396 6.1396 6.2951 6.2951 6.6290 6.6290 6.9959 6.9959 7.1016 7.1016 7.2448 7.2448 7.5744 7.5744 7.8865 7.8865 8.2134 8.2134 8.7127 8.7127 12.0369 12.0369 13.1293 13.1293 14.9885 14.9885 17.6228 17.6228 k = 0.1391 0.4143-0.0000 ( 2481 PWs) bands (ev): -6.3239 -6.3239 -5.5651 -5.5651 3.6646 3.6646 3.9306 3.9306 4.0394 4.0394 4.3270 4.3270 5.0520 5.0520 5.4364 5.4364 6.1488 6.1488 6.2878 6.2878 6.6385 6.6385 7.0112 7.0112 7.1127 7.1127 7.2499 7.2499 7.6035 7.6035 7.9648 7.9648 8.2286 8.2286 8.7618 8.7618 12.1342 12.1342 13.1751 13.1751 14.8453 14.8453 17.4914 17.4914 k = 0.1444 0.4302-0.0000 ( 2491 PWs) bands (ev): -6.2989 -6.2989 -5.5585 -5.5585 3.6350 3.6350 3.8722 3.8722 4.0100 4.0100 4.2793 4.2793 5.0140 5.0140 5.4400 5.4400 6.1550 6.1550 6.2790 6.2790 6.6486 6.6486 7.0274 7.0274 7.1241 7.1241 7.2550 7.2550 7.6327 7.6327 8.0434 8.0434 8.2447 8.2447 8.8100 8.8100 12.2293 12.2293 13.2215 13.2215 14.7067 14.7067 17.3579 17.3579 k = 0.1498 0.4462-0.0000 ( 2483 PWs) bands (ev): -6.2738 -6.2738 -5.5523 -5.5523 3.5988 3.5988 3.8159 3.8159 3.9823 3.9823 4.2405 4.2405 4.9773 4.9773 5.4441 5.4441 6.1564 6.1564 6.2711 6.2711 6.6589 6.6589 7.0444 7.0444 7.1358 7.1358 7.2605 7.2605 7.6620 7.6620 8.1218 8.1218 8.2618 8.2618 8.8573 8.8573 12.3217 12.3217 13.2685 13.2685 14.5734 14.5734 17.2243 17.2243 k = 0.1551 0.4621-0.0000 ( 2483 PWs) bands (ev): -6.2486 -6.2486 -5.5466 -5.5466 3.5565 3.5565 3.7620 3.7620 3.9561 3.9561 4.2102 4.2102 4.9418 4.9418 5.4485 5.4485 6.1506 6.1506 6.2668 6.2668 6.6690 6.6690 7.0616 7.0616 7.1473 7.1473 7.2668 7.2668 7.6916 7.6916 8.1995 8.1995 8.2800 8.2800 8.9031 8.9031 12.4106 12.4106 13.3161 13.3161 14.4464 14.4464 17.0917 17.0917 k = 0.1605 0.4780-0.0000 ( 2475 PWs) bands (ev): -6.2233 -6.2233 -5.5416 -5.5416 3.5088 3.5088 3.7106 3.7106 3.9316 3.9316 4.1880 4.1880 4.9076 4.9076 5.4532 5.4532 6.1367 6.1367 6.2674 6.2674 6.6788 6.6788 7.0787 7.0787 7.1582 7.1582 7.2742 7.2742 7.7213 7.7213 8.2738 8.2738 8.3015 8.3015 8.9474 8.9474 12.4950 12.4950 13.3645 13.3645 14.3270 14.3270 16.9608 16.9608 k = 0.1658 0.4940-0.0000 ( 2479 PWs) bands (ev): -6.1982 -6.1982 -5.5372 -5.5372 3.4572 3.4572 3.6621 3.6621 3.9086 3.9086 4.1727 4.1727 4.8746 4.8746 5.4582 5.4582 6.1157 6.1157 6.2721 6.2721 6.6880 6.6880 7.0952 7.0952 7.1682 7.1682 7.2831 7.2831 7.7510 7.7510 8.3136 8.3136 8.3575 8.3575 8.9898 8.9898 12.5736 12.5736 13.4136 13.4136 14.2170 14.2170 16.8321 16.8321 k = 0.1712 0.5099-0.0000 ( 2475 PWs) bands (ev): -6.1731 -6.1731 -5.5336 -5.5336 3.4029 3.4029 3.6166 3.6166 3.8873 3.8873 4.1632 4.1632 4.8429 4.8429 5.4633 5.4633 6.0895 6.0895 6.2795 6.2795 6.6965 6.6965 7.1106 7.1106 7.1772 7.1772 7.2937 7.2937 7.7808 7.7808 8.3348 8.3348 8.4314 8.4314 9.0302 9.0302 12.6442 12.6442 13.4636 13.4636 14.1188 14.1188 16.7061 16.7061 k = 0.1765 0.5258-0.0000 ( 2479 PWs) bands (ev): -6.1484 -6.1484 -5.5307 -5.5307 3.3472 3.3472 3.5743 3.5743 3.8677 3.8677 4.1584 4.1584 4.8126 4.8126 5.4686 5.4686 6.0593 6.0593 6.2882 6.2882 6.7043 6.7043 7.1242 7.1242 7.1854 7.1854 7.3059 7.3059 7.8105 7.8105 8.3556 8.3556 8.5048 8.5048 9.0684 9.0684 12.7043 12.7043 13.5143 13.5143 14.0355 14.0355 16.5832 16.5832 k = 0.1819 0.5418-0.0000 ( 2475 PWs) bands (ev): -6.1239 -6.1239 -5.5287 -5.5287 3.2913 3.2913 3.5353 3.5353 3.8498 3.8498 4.1575 4.1575 4.7837 4.7837 5.4739 5.4739 6.0264 6.0264 6.2976 6.2976 6.7114 6.7114 7.1356 7.1356 7.1933 7.1933 7.3195 7.3195 7.8399 7.8399 8.3767 8.3767 8.5768 8.5768 9.1043 9.1043 12.7505 12.7505 13.5659 13.5659 13.9707 13.9707 16.4638 16.4638 k = 0.1872 0.5577-0.0000 ( 2475 PWs) bands (ev): -6.0999 -6.0999 -5.5276 -5.5276 3.2359 3.2359 3.4998 3.4998 3.8335 3.8335 4.1597 4.1597 4.7561 4.7561 5.4793 5.4793 5.9911 5.9911 6.3072 6.3072 6.7179 6.7179 7.1441 7.1441 7.2014 7.2014 7.3339 7.3339 7.8690 7.8690 8.3982 8.3982 8.6467 8.6467 9.1376 9.1376 12.7793 12.7793 13.6185 13.6185 13.9282 13.9282 16.3483 16.3483 k = 0.1926 0.5736-0.0000 ( 2469 PWs) bands (ev): -6.0764 -6.0764 -5.5274 -5.5274 3.1819 3.1819 3.4680 3.4680 3.8189 3.8189 4.1645 4.1645 4.7300 4.7300 5.4847 5.4847 5.9540 5.9540 6.3167 6.3167 6.7238 6.7238 7.1496 7.1496 7.2099 7.2099 7.3486 7.3486 7.8976 7.8976 8.4202 8.4202 8.7145 8.7145 9.1682 9.1682 12.7882 12.7882 13.6723 13.6723 13.9106 13.9106 16.2369 16.2369 k = 0.1979 0.5896-0.0000 ( 2467 PWs) bands (ev): -6.0535 -6.0535 -5.5281 -5.5281 3.1300 3.1300 3.4398 3.4398 3.8061 3.8061 4.1714 4.1714 4.7052 4.7052 5.4900 5.4900 5.9154 5.9154 6.3259 6.3259 6.7290 6.7290 7.1523 7.1523 7.2187 7.2187 7.3631 7.3631 7.9254 7.9254 8.4424 8.4424 8.7796 8.7796 9.1960 9.1960 12.7770 12.7770 13.7278 13.7278 13.9180 13.9180 16.1301 16.1301 k = 0.2033 0.6055-0.0000 ( 2471 PWs) bands (ev): -6.0312 -6.0312 -5.5299 -5.5299 3.0804 3.0804 3.4155 3.4155 3.7950 3.7950 4.1801 4.1801 4.6819 4.6819 5.4953 5.4953 5.8754 5.8754 6.3347 6.3347 6.7337 6.7337 7.1527 7.1527 7.2273 7.2273 7.3770 7.3770 7.9524 7.9524 8.4649 8.4649 8.8419 8.8419 9.2208 9.2208 12.7479 12.7479 13.7856 13.7856 13.9478 13.9478 16.0281 16.0281 k = 0.2086 0.6214-0.0000 ( 2463 PWs) bands (ev): -6.0098 -6.0098 -5.5327 -5.5327 3.0337 3.0337 3.3950 3.3950 3.7857 3.7857 4.1903 4.1903 4.6600 4.6600 5.5004 5.5004 5.8344 5.8344 6.3432 6.3432 6.7380 6.7380 7.1514 7.1514 7.2353 7.2353 7.3897 7.3897 7.9784 7.9784 8.4877 8.4877 8.9009 8.9009 9.2428 9.2428 12.7053 12.7053 13.8457 13.8457 13.9959 13.9959 15.9315 15.9315 k = 0.2140 0.6374-0.0000 ( 2467 PWs) bands (ev): -5.9892 -5.9892 -5.5366 -5.5366 2.9902 2.9902 3.3785 3.3785 3.7782 3.7782 4.2020 4.2020 4.6396 4.6396 5.5055 5.5055 5.7925 5.7925 6.3511 6.3511 6.7418 6.7418 7.1487 7.1487 7.2423 7.2423 7.4009 7.4009 8.0032 8.0032 8.5105 8.5105 8.9564 8.9564 9.2615 9.2615 12.6536 12.6536 13.9074 13.9074 14.0587 14.0587 15.8405 15.8405 k = 0.2193 0.6533-0.0000 ( 2467 PWs) bands (ev): -5.9695 -5.9695 -5.5416 -5.5416 2.9502 2.9502 3.3659 3.3659 3.7725 3.7725 4.2148 4.2148 4.6206 4.6206 5.5104 5.5104 5.7499 5.7499 6.3586 6.3586 6.7452 6.7452 7.1448 7.1448 7.2480 7.2480 7.4104 7.4104 8.0266 8.0266 8.5335 8.5335 9.0080 9.0080 9.2772 9.2772 12.5968 12.5968 13.9698 13.9698 14.1335 14.1335 15.7555 15.7555 k = 0.2247 0.6692-0.0000 ( 2467 PWs) bands (ev): -5.9508 -5.9508 -5.5477 -5.5477 2.9138 2.9138 3.3574 3.3574 3.7685 3.7685 4.2287 4.2287 4.6030 4.6030 5.5152 5.5152 5.7065 5.7065 6.3655 6.3655 6.7483 6.7483 7.1399 7.1399 7.2521 7.2521 7.4178 7.4178 8.0486 8.0486 8.5564 8.5564 9.0553 9.0553 9.2897 9.2897 12.5380 12.5380 14.0320 14.0320 14.2177 14.2177 15.6769 15.6769 k = 0.2300 0.6852-0.0000 ( 2461 PWs) bands (ev): -5.9332 -5.9332 -5.5549 -5.5549 2.8813 2.8813 3.3529 3.3529 3.7665 3.7665 4.2436 4.2436 4.5869 4.5869 5.5198 5.5198 5.6627 5.6627 6.3719 6.3719 6.7510 6.7510 7.1342 7.1342 7.2546 7.2546 7.4231 7.4231 8.0689 8.0689 8.5792 8.5792 9.0981 9.0981 9.2991 9.2991 12.4795 12.4795 14.0937 14.0937 14.3096 14.3096 15.6050 15.6050 k = 0.2354 0.7011-0.0000 ( 2461 PWs) bands (ev): -5.9167 -5.9167 -5.5633 -5.5633 2.8528 2.8528 3.3525 3.3525 3.7662 3.7662 4.2594 4.2594 4.5723 4.5723 5.5242 5.5242 5.6186 5.6186 6.3779 6.3779 6.7534 6.7534 7.1276 7.1276 7.2552 7.2552 7.4260 7.4260 8.0873 8.0873 8.6019 8.6019 9.1359 9.1359 9.3054 9.3054 12.4230 12.4230 14.1547 14.1547 14.4073 14.4073 15.5402 15.5402 k = 0.2407 0.7170-0.0000 ( 2463 PWs) bands (ev): -5.9014 -5.9014 -5.5727 -5.5727 2.8284 2.8284 3.3561 3.3561 3.7678 3.7678 4.2760 4.2760 4.5591 4.5591 5.5284 5.5284 5.5742 5.5742 6.3833 6.3833 6.7554 6.7554 7.1202 7.1202 7.2538 7.2538 7.4264 7.4264 8.1039 8.1039 8.6243 8.6243 9.1685 9.1685 9.3085 9.3085 12.3697 12.3697 14.2145 14.2145 14.5099 14.5099 15.4828 15.4828 k = 0.2461 0.7330-0.0000 ( 2475 PWs) bands (ev): -5.8874 -5.8874 -5.5832 -5.5832 2.8083 2.8083 3.3637 3.3637 3.7712 3.7712 4.2933 4.2933 4.5474 4.5474 5.5286 5.5286 5.5334 5.5334 6.3882 6.3882 6.7571 6.7571 7.1121 7.1121 7.2504 7.2504 7.4241 7.4241 8.1183 8.1183 8.6464 8.6464 9.1954 9.1954 9.3086 9.3086 12.3205 12.3205 14.2728 14.2728 14.6164 14.6164 15.4331 15.4331 k = 0.2514 0.7489-0.0000 ( 2465 PWs) bands (ev): -5.8746 -5.8746 -5.5948 -5.5948 2.7924 2.7924 3.3754 3.3754 3.7766 3.7766 4.3114 4.3114 4.5373 4.5373 5.4849 5.4849 5.5364 5.5364 6.3927 6.3927 6.7584 6.7584 7.1033 7.1033 7.2452 7.2452 7.4194 7.4194 8.1307 8.1307 8.6681 8.6681 9.2164 9.2164 9.3060 9.3060 12.2760 12.2760 14.3293 14.3293 14.7261 14.7261 15.3913 15.3913 k = 0.2568 0.7648-0.0000 ( 2465 PWs) bands (ev): -5.8632 -5.8632 -5.6074 -5.6074 2.7810 2.7810 3.3909 3.3909 3.7838 3.7838 4.3301 4.3301 4.5286 4.5286 5.4406 5.4406 5.5400 5.5400 6.3967 6.3967 6.7594 6.7594 7.0937 7.0937 7.2379 7.2379 7.4121 7.4121 8.1408 8.1408 8.6893 8.6893 9.2311 9.2311 9.3007 9.3007 12.2368 12.2368 14.3833 14.3833 14.8383 14.8383 15.3577 15.3577 k = 0.2621 0.7808-0.0000 ( 2465 PWs) bands (ev): -5.8530 -5.8530 -5.6211 -5.6211 2.7739 2.7739 3.4103 3.4103 3.7929 3.7929 4.3494 4.3494 4.5215 4.5215 5.3965 5.3965 5.5433 5.5433 6.4002 6.4002 6.7599 6.7599 7.0833 7.0833 7.2287 7.2287 7.4022 7.4022 8.1488 8.1488 8.7100 8.7100 9.2390 9.2390 9.2931 9.2931 12.2029 12.2029 14.4345 14.4345 14.9528 14.9528 15.3323 15.3323 k = 0.2675 0.7967-0.0000 ( 2465 PWs) bands (ev): -5.8443 -5.8443 -5.6357 -5.6357 2.7713 2.7713 3.4333 3.4333 3.8039 3.8039 4.3690 4.3690 4.5161 4.5161 5.3527 5.3527 5.5464 5.5464 6.4032 6.4032 6.7599 6.7599 7.0722 7.0722 7.2176 7.2176 7.3898 7.3898 8.1545 8.1545 8.7299 8.7299 9.2397 9.2397 9.2837 9.2837 12.1748 12.1748 14.4823 14.4823 15.0687 15.0687 15.3154 15.3154 k = 0.2728 0.8126-0.0000 ( 2477 PWs) bands (ev): -5.8369 -5.8369 -5.6513 -5.6513 2.7731 2.7731 3.4600 3.4600 3.8167 3.8167 4.3889 4.3889 4.5124 4.5124 5.3096 5.3096 5.5493 5.5493 6.4057 6.4057 6.7593 6.7593 7.0603 7.0603 7.2048 7.2048 7.3749 7.3749 8.1579 8.1579 8.7491 8.7491 9.2331 9.2331 9.2724 9.2724 12.1523 12.1523 14.5262 14.5262 15.1851 15.1851 15.3076 15.3076 k = 0.2782 0.8286-0.0000 ( 2477 PWs) bands (ev): -5.8309 -5.8309 -5.6677 -5.6677 2.7792 2.7792 3.4902 3.4902 3.8314 3.8314 4.4087 4.4087 4.5108 4.5108 5.2672 5.2672 5.5520 5.5520 6.4077 6.4077 6.7580 6.7580 7.0476 7.0476 7.1905 7.1905 7.3578 7.3578 8.1593 8.1593 8.7675 8.7675 9.2200 9.2200 9.2590 9.2590 12.1354 12.1354 14.5660 14.5660 15.2867 15.2867 15.3235 15.3235 k = 0.2782 0.8286-0.0000 ( 2477 PWs) bands (ev): -5.8309 -5.8309 -5.6677 -5.6677 2.7792 2.7792 3.4902 3.4902 3.8314 3.8314 4.4087 4.4087 4.5108 4.5108 5.2672 5.2672 5.5520 5.5520 6.4077 6.4077 6.7580 6.7580 7.0476 7.0476 7.1905 7.1905 7.3578 7.3578 8.1593 8.1593 8.7675 8.7675 9.2200 9.2200 9.2590 9.2590 12.1354 12.1354 14.5660 14.5660 15.2867 15.2867 15.3235 15.3235 k = 0.2618 0.8286-0.0000 ( 2469 PWs) bands (ev): -5.8330 -5.8330 -5.6621 -5.6621 2.7780 2.7780 3.4801 3.4801 3.8266 3.8266 4.3984 4.3984 4.5106 4.5106 5.2847 5.2847 5.5520 5.5520 6.4078 6.4078 6.7591 6.7591 7.0516 7.0516 7.1944 7.1944 7.3641 7.3641 8.1590 8.1590 8.7587 8.7587 9.2246 9.2246 9.2632 9.2632 12.1418 12.1418 14.5532 14.5532 15.2595 15.2595 15.3133 15.3133 k = 0.2455 0.8286-0.0000 ( 2473 PWs) bands (ev): -5.8359 -5.8359 -5.6560 -5.6560 2.7792 2.7792 3.4695 3.4695 3.8217 3.8217 4.3801 4.3801 4.5102 4.5102 5.3102 5.3102 5.5538 5.5538 6.4089 6.4089 6.7612 6.7612 7.0555 7.0555 7.1966 7.1966 7.3716 7.3716 8.1582 8.1582 8.7436 8.7436 9.2287 9.2287 9.2667 9.2667 12.1522 12.1522 14.5388 14.5388 15.2210 15.2210 15.3149 15.3149 k = 0.2291 0.8286-0.0000 ( 2475 PWs) bands (ev): -5.8394 -5.8394 -5.6495 -5.6495 2.7830 2.7830 3.4585 3.4585 3.8170 3.8170 4.3549 4.3549 4.5100 4.5100 5.3413 5.3413 5.5579 5.5579 6.4112 6.4112 6.7642 6.7642 7.0592 7.0592 7.1971 7.1971 7.3802 7.3802 8.1569 8.1569 8.7224 8.7224 9.2322 9.2322 9.2694 9.2694 12.1662 12.1662 14.5233 14.5233 15.1788 15.1788 15.3214 15.3214 k = 0.2127 0.8286-0.0000 ( 2474 PWs) bands (ev): -5.8432 -5.8432 -5.6429 -5.6429 2.7892 2.7892 3.4469 3.4469 3.8123 3.8123 4.3245 4.3245 4.5102 4.5102 5.3751 5.3751 5.5653 5.5653 6.4151 6.4151 6.7681 6.7681 7.0628 7.0628 7.1961 7.1961 7.3900 7.3900 8.1552 8.1552 8.6956 8.6956 9.2355 9.2355 9.2714 9.2714 12.1836 12.1836 14.5074 14.5074 15.1347 15.1347 15.3308 15.3308 k = 0.1964 0.8286-0.0000 ( 2470 PWs) bands (ev): -5.8472 -5.8472 -5.6364 -5.6364 2.7976 2.7976 3.4346 3.4346 3.8079 3.8079 4.2905 4.2905 4.5106 4.5106 5.4080 5.4080 5.5774 5.5774 6.4207 6.4207 6.7724 6.7724 7.0660 7.0660 7.1937 7.1937 7.4008 7.4008 8.1532 8.1532 8.6639 8.6639 9.2384 9.2384 9.2727 9.2727 12.2039 12.2039 14.4919 14.4919 15.0896 15.0896 15.3426 15.3426 k = 0.1800 0.8286-0.0000 ( 2470 PWs) bands (ev): -5.8512 -5.8512 -5.6302 -5.6302 2.8082 2.8082 3.4217 3.4217 3.8036 3.8036 4.2548 4.2548 4.5113 4.5113 5.4367 5.4367 5.5959 5.5959 6.4285 6.4285 6.7768 6.7768 7.0689 7.0689 7.1901 7.1901 7.4123 7.4123 8.1507 8.1507 8.6280 8.6280 9.2410 9.2410 9.2733 9.2733 12.2264 12.2264 14.4773 14.4773 15.0439 15.0439 15.3563 15.3563 k = 0.1636 0.8286-0.0000 ( 2469 PWs) bands (ev): -5.8551 -5.8551 -5.6242 -5.6242 2.8207 2.8207 3.4081 3.4081 3.7996 3.7996 4.2185 4.2185 4.5120 4.5120 5.4588 5.4588 5.6214 5.6214 6.4387 6.4387 6.7810 6.7810 7.0714 7.0714 7.1854 7.1854 7.4246 7.4246 8.1482 8.1482 8.5887 8.5887 9.2434 9.2434 9.2735 9.2735 12.2506 12.2506 14.4641 14.4641 14.9983 14.9983 15.3715 15.3715 k = 0.1473 0.8286-0.0000 ( 2467 PWs) bands (ev): -5.8589 -5.8589 -5.6186 -5.6186 2.8350 2.8350 3.3938 3.3938 3.7958 3.7958 4.1829 4.1829 4.5127 4.5127 5.4743 5.4743 5.6523 5.6523 6.4517 6.4517 6.7843 6.7843 7.0736 7.0736 7.1800 7.1800 7.4373 7.4373 8.1454 8.1454 8.5471 8.5471 9.2457 9.2457 9.2731 9.2731 12.2756 12.2756 14.4529 14.4529 14.9531 14.9531 15.3875 15.3875 k = 0.1309 0.8286-0.0000 ( 2469 PWs) bands (ev): -5.8624 -5.8624 -5.6134 -5.6134 2.8506 2.8506 3.3788 3.3788 3.7923 3.7923 4.1489 4.1489 4.5135 4.5135 5.4848 5.4848 5.6858 5.6858 6.4679 6.4679 6.7863 6.7863 7.0753 7.0753 7.1740 7.1740 7.4502 7.4502 8.1428 8.1428 8.5041 8.5041 9.2478 9.2478 9.2724 9.2724 12.3007 12.3007 14.4440 14.4440 14.9088 14.9088 15.4040 15.4040 k = 0.1145 0.8286-0.0000 ( 2472 PWs) bands (ev): -5.8656 -5.8656 -5.6088 -5.6088 2.8672 2.8672 3.3634 3.3634 3.7892 3.7892 4.1174 4.1174 4.5141 4.5141 5.4920 5.4920 5.7189 5.7189 6.4872 6.4872 6.7863 6.7863 7.0768 7.0768 7.1678 7.1678 7.4633 7.4633 8.1403 8.1403 8.4611 8.4611 9.2497 9.2497 9.2714 9.2714 12.3252 12.3252 14.4377 14.4377 14.8661 14.8661 15.4205 15.4205 k = 0.0982 0.8286-0.0000 ( 2480 PWs) bands (ev): -5.8685 -5.8685 -5.6047 -5.6047 2.8844 2.8844 3.3476 3.3476 3.7863 3.7863 4.0890 4.0890 4.5147 4.5147 5.4971 5.4971 5.7495 5.7495 6.5096 6.5096 6.7837 6.7837 7.0778 7.0778 7.1616 7.1616 7.4760 7.4760 8.1381 8.1381 8.4192 8.4192 9.2515 9.2515 9.2701 9.2701 12.3482 12.3482 14.4341 14.4341 14.8255 14.8255 15.4362 15.4362 k = 0.0818 0.8286-0.0000 ( 2476 PWs) bands (ev): -5.8709 -5.8709 -5.6012 -5.6012 2.9014 2.9014 3.3321 3.3321 3.7838 3.7838 4.0642 4.0642 4.5152 4.5152 5.5008 5.5008 5.7764 5.7764 6.5347 6.5347 6.7783 6.7783 7.0787 7.0787 7.1558 7.1558 7.4882 7.4882 8.1365 8.1365 8.3797 8.3797 9.2532 9.2532 9.2688 9.2688 12.3692 12.3692 14.4331 14.4331 14.7878 14.7878 15.4508 15.4508 k = 0.0655 0.8286-0.0000 ( 2478 PWs) bands (ev): -5.8730 -5.8730 -5.5983 -5.5983 2.9176 2.9176 3.3173 3.3173 3.7818 3.7818 4.0435 4.0435 4.5156 4.5156 5.5035 5.5035 5.7988 5.7988 6.5617 6.5617 6.7696 6.7696 7.0792 7.0792 7.1506 7.1506 7.4993 7.4993 8.1356 8.1356 8.3442 8.3442 9.2548 9.2548 9.2673 9.2673 12.3873 12.3873 14.4344 14.4344 14.7539 14.7539 15.4635 15.4635 k = 0.0491 0.8286-0.0000 ( 2479 PWs) bands (ev): -5.8746 -5.8746 -5.5960 -5.5960 2.9319 2.9319 3.3041 3.3041 3.7801 3.7801 4.0271 4.0271 4.5159 4.5159 5.5055 5.5055 5.8163 5.8163 6.5895 6.5895 6.7577 6.7577 7.0797 7.0797 7.1463 7.1463 7.5088 7.5088 8.1353 8.1353 8.3140 8.3140 9.2564 9.2564 9.2658 9.2658 12.4021 12.4021 14.4374 14.4374 14.7250 14.7250 15.4741 15.4741 k = 0.0327 0.8286-0.0000 ( 2479 PWs) bands (ev): -5.8758 -5.8758 -5.5944 -5.5944 2.9433 2.9433 3.2936 3.2936 3.7789 3.7789 4.0154 4.0154 4.5162 4.5162 5.5068 5.5068 5.8287 5.8287 6.6161 6.6161 6.7432 6.7432 7.0800 7.0800 7.1431 7.1431 7.5161 7.5161 8.1356 8.1356 8.2907 8.2907 9.2580 9.2580 9.2643 9.2643 12.4130 12.4130 14.4411 14.4411 14.7026 14.7026 15.4819 15.4819 k = 0.0164 0.8286-0.0000 ( 2480 PWs) bands (ev): -5.8765 -5.8765 -5.5934 -5.5934 2.9507 2.9507 3.2867 3.2867 3.7781 3.7781 4.0082 4.0082 4.5163 4.5163 5.5076 5.5076 5.8362 5.8362 6.6380 6.6380 6.7289 6.7289 7.0801 7.0801 7.1411 7.1411 7.5207 7.5207 8.1362 8.1362 8.2760 8.2760 9.2594 9.2594 9.2628 9.2628 12.4197 12.4197 14.4441 14.4441 14.6881 14.6881 15.4868 15.4868 k = 0.0000 0.8286-0.0000 ( 2484 PWs) bands (ev): -5.8767 -5.8767 -5.5931 -5.5931 2.9533 2.9533 3.2842 3.2842 3.7779 3.7779 4.0059 4.0059 4.5163 4.5163 5.5079 5.5079 5.8386 5.8386 6.6477 6.6477 6.7218 6.7218 7.0802 7.0802 7.1405 7.1405 7.5223 7.5223 8.1364 8.1364 8.2708 8.2708 9.2605 9.2605 9.2616 9.2616 12.4219 12.4219 14.4452 14.4452 14.6831 14.6831 15.4884 15.4884 k = 0.0000 0.8286-0.0000 ( 2484 PWs) bands (ev): -5.8767 -5.8767 -5.5931 -5.5931 2.9533 2.9533 3.2842 3.2842 3.7779 3.7779 4.0059 4.0059 4.5163 4.5163 5.5079 5.5079 5.8386 5.8386 6.6477 6.6477 6.7218 6.7218 7.0802 7.0802 7.1405 7.1405 7.5223 7.5223 8.1364 8.1364 8.2708 8.2708 9.2605 9.2605 9.2616 9.2616 12.4219 12.4219 14.4452 14.4452 14.6831 14.6831 15.4884 15.4884 k = 0.0000 0.8286 0.0170 ( 2480 PWs) bands (ev): -5.8766 -5.8766 -5.5932 -5.5932 2.9542 2.9542 3.2850 3.2850 3.7791 3.7791 4.0063 4.0063 4.5174 4.5174 5.5080 5.5080 5.8383 5.8383 6.6464 6.6464 6.7225 6.7225 7.0731 7.0731 7.1467 7.1467 7.5219 7.5219 8.1352 8.1352 8.2680 8.2680 9.2550 9.2550 9.2629 9.2629 12.4240 12.4240 14.4429 14.4429 14.6882 14.6882 15.4807 15.4807 k = 0.0000 0.8286 0.0340 ( 2476 PWs) bands (ev): -5.8763 -5.8763 -5.5935 -5.5935 2.9570 2.9570 3.2873 3.2873 3.7827 3.7827 4.0078 4.0078 4.5206 4.5206 5.5084 5.5084 5.8374 5.8374 6.6425 6.6425 6.7246 6.7246 7.0568 7.0568 7.1604 7.1604 7.5209 7.5209 8.1316 8.1316 8.2597 8.2597 9.2434 9.2434 9.2615 9.2615 12.4300 12.4300 14.4354 14.4354 14.7033 14.7033 15.4593 15.4593 k = 0.0000 0.8286 0.0509 ( 2480 PWs) bands (ev): -5.8757 -5.8757 -5.5941 -5.5941 2.9615 2.9615 3.2910 3.2910 3.7886 3.7886 4.0103 4.0103 4.5259 4.5259 5.5091 5.5091 5.8359 5.8359 6.6365 6.6365 6.7274 6.7274 7.0365 7.0365 7.1762 7.1762 7.5191 7.5191 8.1255 8.1255 8.2460 8.2460 9.2254 9.2254 9.2579 9.2579 12.4399 12.4399 14.4212 14.4212 14.7281 14.7281 15.4296 15.4296 k = 0.0000 0.8286 0.0679 ( 2478 PWs) bands (ev): -5.8749 -5.8749 -5.5949 -5.5949 2.9678 2.9678 3.2961 3.2961 3.7969 3.7969 4.0138 4.0138 4.5332 4.5332 5.5100 5.5100 5.8337 5.8337 6.6287 6.6287 6.7308 6.7308 7.0143 7.0143 7.1924 7.1924 7.5165 7.5165 8.1168 8.1168 8.2275 8.2275 9.2012 9.2012 9.2523 9.2523 12.4534 12.4534 14.3982 14.3982 14.7623 14.7623 15.3987 15.3987 k = 0.0000 0.8286 0.0849 ( 2474 PWs) bands (ev): -5.8739 -5.8739 -5.5959 -5.5959 2.9759 2.9759 3.3028 3.3028 3.8076 3.8076 4.0183 4.0183 4.5426 4.5426 5.5111 5.5111 5.8308 5.8308 6.6195 6.6195 6.7344 6.7344 6.9910 6.9910 7.2082 7.2082 7.5133 7.5133 8.1051 8.1051 8.2048 8.2048 9.1707 9.1707 9.2445 9.2445 12.4702 12.4702 14.3638 14.3638 14.8055 14.8055 15.3736 15.3736 k = 0.0000 0.8286 0.1019 ( 2470 PWs) bands (ev): -5.8726 -5.8726 -5.5972 -5.5972 2.9857 2.9857 3.3109 3.3109 3.8208 3.8208 4.0238 4.0238 4.5540 4.5540 5.5125 5.5125 5.8270 5.8270 6.6091 6.6091 6.7378 6.7378 6.9670 6.9670 7.2232 7.2232 7.5093 7.5093 8.0901 8.0901 8.1790 8.1790 9.1345 9.1345 9.2347 9.2347 12.4899 12.4899 14.3161 14.3161 14.8571 14.8571 15.3605 15.3605 k = 0.0000 0.8286 0.1188 ( 2468 PWs) bands (ev): -5.8712 -5.8712 -5.5986 -5.5986 2.9972 2.9972 3.3203 3.3203 3.8363 3.8363 4.0304 4.0304 4.5673 4.5673 5.5139 5.5139 5.8222 5.8222 6.5978 6.5978 6.7410 6.7410 6.9427 6.9427 7.2373 7.2373 7.5045 7.5045 8.0707 8.0707 8.1512 8.1512 9.0928 9.0928 9.2225 9.2225 12.5122 12.5122 14.2547 14.2547 14.9169 14.9169 15.3629 15.3629 k = 0.0000 0.8286 0.1358 ( 2470 PWs) bands (ev): -5.8695 -5.8695 -5.6003 -5.6003 3.0104 3.0104 3.3312 3.3312 3.8542 3.8542 4.0380 4.0380 4.5825 4.5825 5.5153 5.5153 5.8164 5.8164 6.5857 6.5857 6.7437 6.7437 6.9183 6.9183 7.2504 7.2504 7.4990 7.4990 8.0461 8.0461 8.1234 8.1234 9.0463 9.0463 9.2077 9.2077 12.5366 12.5366 14.1807 14.1807 14.9844 14.9844 15.3820 15.3820 k = 0.0000 0.8286 0.1528 ( 2470 PWs) bands (ev): -5.8676 -5.8676 -5.6022 -5.6022 3.0252 3.0252 3.3433 3.3433 3.8745 3.8745 4.0467 4.0467 4.5994 4.5994 5.5168 5.5168 5.8095 5.8095 6.5730 6.5730 6.7455 6.7455 6.8943 6.8943 7.2626 7.2626 7.4926 7.4926 8.0154 8.0154 8.0967 8.0967 8.9953 8.9953 9.1903 9.1903 12.5625 12.5625 14.0964 14.0964 15.0591 15.0591 15.4173 15.4173 k = 0.0000 0.8286 0.1698 ( 2472 PWs) bands (ev): -5.8654 -5.8654 -5.6043 -5.6043 3.0415 3.0415 3.3568 3.3568 3.8972 3.8972 4.0566 4.0566 4.6181 4.6181 5.5180 5.5180 5.8014 5.8014 6.5599 6.5599 6.7461 6.7461 6.8712 6.8712 7.2735 7.2735 7.4854 7.4854 7.9791 7.9791 8.0716 8.0716 8.9403 8.9403 9.1702 9.1702 12.5895 12.5895 14.0046 14.0046 15.1405 15.1405 15.4671 15.4671 k = 0.0000 0.8286 0.1868 ( 2470 PWs) bands (ev): -5.8631 -5.8631 -5.6067 -5.6067 3.0594 3.0594 3.3714 3.3714 3.9222 3.9222 4.0675 4.0675 4.6384 4.6384 5.5188 5.5188 5.7922 5.7922 6.5463 6.5463 6.7448 6.7448 6.8500 6.8500 7.2832 7.2832 7.4774 7.4774 7.9384 7.9384 8.0474 8.0474 8.8819 8.8819 9.1472 9.1472 12.6171 12.6171 13.9080 13.9080 15.2282 15.2282 15.5295 15.5295 k = 0.0000 0.8286 0.2037 ( 2472 PWs) bands (ev): -5.8606 -5.8606 -5.6092 -5.6092 3.0787 3.0787 3.3873 3.3873 3.9495 3.9495 4.0795 4.0795 4.6602 4.6602 5.5190 5.5190 5.7818 5.7818 6.5325 6.5325 6.7406 6.7406 6.8316 6.8316 7.2915 7.2915 7.4685 7.4685 7.8950 7.8950 8.0234 8.0234 8.8206 8.8206 9.1212 9.1212 12.6449 12.6449 13.8090 13.8090 15.3215 15.3215 15.6026 15.6026 k = 0.0000 0.8286 0.2207 ( 2474 PWs) bands (ev): -5.8578 -5.8578 -5.6120 -5.6120 3.0994 3.0994 3.4043 3.4043 3.9791 3.9791 4.0927 4.0927 4.6836 4.6836 5.5182 5.5182 5.7705 5.7705 6.5183 6.5183 6.7323 6.7323 6.8175 6.8175 7.2981 7.2981 7.4587 7.4587 7.8501 7.8501 7.9992 7.9992 8.7566 8.7566 9.0922 9.0922 12.6722 12.6722 13.7096 13.7096 15.4198 15.4198 15.6848 15.6848 k = 0.0000 0.8286 0.2377 ( 2476 PWs) bands (ev): -5.8549 -5.8549 -5.6149 -5.6149 3.1214 3.1214 3.4224 3.4224 4.0109 4.0109 4.1071 4.1071 4.7083 4.7083 5.5160 5.5160 5.7587 5.7587 6.5038 6.5038 6.7198 6.7198 6.8082 6.8082 7.3027 7.3027 7.4480 7.4480 7.8047 7.8047 7.9746 7.9746 8.6906 8.6906 9.0602 9.0602 12.6986 12.6986 13.6113 13.6113 15.5225 15.5225 15.7747 15.7747 k = 0.0000 0.8286 0.2547 ( 2476 PWs) bands (ev): -5.8518 -5.8518 -5.6181 -5.6181 3.1446 3.1446 3.4415 3.4415 4.0445 4.0445 4.1229 4.1229 4.7342 4.7342 5.5117 5.5117 5.7468 5.7468 6.4888 6.4888 6.7042 6.7042 6.8027 6.8027 7.3048 7.3048 7.4366 7.4366 7.7600 7.7600 7.9495 7.9495 8.6229 8.6229 9.0253 9.0253 12.7237 12.7237 13.5153 13.5153 15.6287 15.6287 15.8708 15.8708 k = 0.0000 0.8286 0.2717 ( 2474 PWs) bands (ev): -5.8485 -5.8485 -5.6214 -5.6214 3.1691 3.1691 3.4615 3.4615 4.0794 4.0794 4.1405 4.1405 4.7614 4.7614 5.5047 5.5047 5.7354 5.7354 6.4731 6.4731 6.6873 6.6873 6.7996 6.7996 7.3039 7.3039 7.4245 7.4245 7.7169 7.7169 7.9242 7.9242 8.5538 8.5538 8.9874 8.9874 12.7470 12.7470 13.4225 13.4225 15.7371 15.7371 15.9720 15.9720 k = 0.0000 0.8286 0.2886 ( 2476 PWs) bands (ev): -5.8450 -5.8450 -5.6249 -5.6249 3.1946 3.1946 3.4823 3.4823 4.1142 4.1142 4.1613 4.1613 4.7896 4.7896 5.4942 5.4942 5.7254 5.7254 6.4563 6.4563 6.6705 6.6705 6.7980 6.7980 7.2990 7.2990 7.4118 7.4118 7.6764 7.6764 7.8986 7.8986 8.4838 8.4838 8.9469 8.9469 12.7681 12.7681 13.3337 13.3337 15.8462 15.8462 16.0768 16.0768 k = 0.0000 0.8286 0.3056 ( 2470 PWs) bands (ev): -5.8413 -5.8413 -5.6286 -5.6286 3.2212 3.2212 3.5039 3.5039 4.1458 4.1458 4.1883 4.1883 4.8187 4.8187 5.4796 5.4796 5.7175 5.7175 6.4383 6.4383 6.6548 6.6548 6.7970 6.7970 7.2895 7.2895 7.3987 7.3987 7.6394 7.6394 7.8732 7.8732 8.4132 8.4132 8.9038 8.9038 12.7867 12.7867 13.2495 13.2495 15.9527 15.9527 16.1831 16.1831 k = 0.0000 0.8286 0.3226 ( 2466 PWs) bands (ev): -5.8374 -5.8374 -5.6325 -5.6325 3.2486 3.2486 3.5262 3.5262 4.1716 4.1716 4.2238 4.2238 4.8486 4.8486 5.4606 5.4606 5.7119 5.7119 6.4187 6.4187 6.6409 6.6409 6.7963 6.7963 7.2746 7.2746 7.3853 7.3853 7.6068 7.6068 7.8482 7.8482 8.3423 8.3423 8.8584 8.8584 12.8023 12.8023 13.1702 13.1702 16.0500 16.0500 16.2861 16.2861 k = 0.0000 0.8286 0.3396 ( 2468 PWs) bands (ev): -5.8334 -5.8334 -5.6365 -5.6365 3.2770 3.2770 3.5490 3.5490 4.1936 4.1936 4.2656 4.2656 4.8792 4.8792 5.4373 5.4373 5.7089 5.7089 6.3973 6.3973 6.6291 6.6291 6.7956 6.7956 7.2541 7.2541 7.3716 7.3716 7.5786 7.5786 7.8241 7.8241 8.2715 8.2715 8.8110 8.8110 12.8146 12.8146 13.0964 13.0964 16.1251 16.1251 16.3747 16.3747 k = 0.0000 0.8286 0.3565 ( 2466 PWs) bands (ev): -5.8292 -5.8292 -5.6407 -5.6407 3.3060 3.3060 3.5723 3.5723 4.2140 4.2140 4.3113 4.3113 4.9103 4.9103 5.4100 5.4100 5.7083 5.7083 6.3742 6.3742 6.6196 6.6196 6.7948 6.7948 7.2284 7.2284 7.3573 7.3573 7.5546 7.5546 7.8012 7.8012 8.2012 8.2012 8.7618 8.7618 12.8235 12.8235 13.0282 13.0282 16.1655 16.1655 16.4559 16.4559 k = 0.0000 0.8286 0.3735 ( 2462 PWs) bands (ev): -5.8249 -5.8249 -5.6451 -5.6451 3.3357 3.3357 3.5958 3.5958 4.2339 4.2339 4.3595 4.3595 4.9417 4.9417 5.3793 5.3793 5.7097 5.7097 6.3495 6.3495 6.6123 6.6123 6.7940 6.7940 7.1986 7.1986 7.3425 7.3425 7.5339 7.5339 7.7800 7.7800 8.1319 8.1319 8.7112 8.7112 12.8286 12.8286 12.9660 12.9660 16.1794 16.1794 16.5526 16.5526 k = 0.0000 0.8286 0.3905 ( 2460 PWs) bands (ev): -5.8204 -5.8204 -5.6496 -5.6496 3.3660 3.3660 3.6195 3.6195 4.2536 4.2536 4.4098 4.4098 4.9731 4.9731 5.3458 5.3458 5.7128 5.7128 6.3233 6.3233 6.6070 6.6070 6.7930 6.7930 7.1655 7.1655 7.3272 7.3272 7.5152 7.5152 7.7608 7.7608 8.0642 8.0642 8.6597 8.6597 12.8289 12.8289 12.9107 12.9107 16.1834 16.1834 16.6615 16.6615 k = 0.0000 0.8286 0.4075 ( 2460 PWs) bands (ev): -5.8158 -5.8158 -5.6542 -5.6542 3.3967 3.3967 3.6430 3.6430 4.2733 4.2733 4.4615 4.4615 5.0042 5.0042 5.3103 5.3103 5.7173 5.7173 6.2960 6.2960 6.6035 6.6035 6.7919 6.7919 7.1302 7.1302 7.3115 7.3115 7.4972 7.4972 7.7435 7.7435 7.9991 7.9991 8.6076 8.6076 12.8210 12.8210 12.8660 12.8660 16.1870 16.1870 16.7755 16.7755 k = 0.0000 0.8286 0.4245 ( 2466 PWs) bands (ev): -5.8110 -5.8110 -5.6590 -5.6590 3.4277 3.4277 3.6663 3.6663 4.2930 4.2930 4.5143 4.5143 5.0344 5.0344 5.2738 5.2738 5.7227 5.7227 6.2677 6.2677 6.6014 6.6014 6.7908 6.7908 7.0934 7.0934 7.2957 7.2957 7.4788 7.4788 7.7270 7.7270 7.9382 7.9382 8.5552 8.5552 12.7952 12.7952 12.8415 12.8415 16.1939 16.1939 16.8905 16.8905 k = 0.0000 0.8286 0.4414 ( 2470 PWs) bands (ev): -5.8061 -5.8061 -5.6639 -5.6639 3.4588 3.4588 3.6890 3.6890 4.3127 4.3127 4.5678 4.5678 5.0627 5.0627 5.2376 5.2376 5.7290 5.7290 6.2386 6.2386 6.6007 6.6007 6.7897 6.7897 7.0560 7.0560 7.2801 7.2801 7.4594 7.4594 7.7091 7.7091 7.8844 7.8844 8.5031 8.5031 12.7595 12.7595 12.8293 12.8293 16.2058 16.2058 17.0033 17.0033 k = 0.0000 0.8286 0.4584 ( 2472 PWs) bands (ev): -5.8011 -5.8011 -5.6689 -5.6689 3.4900 3.4900 3.7110 3.7110 4.3324 4.3324 4.6213 4.6213 5.0866 5.0866 5.2049 5.2049 5.7359 5.7359 6.2092 6.2092 6.6010 6.6010 6.7888 6.7888 7.0187 7.0187 7.2649 7.2649 7.4387 7.4387 7.6854 7.6854 7.8423 7.8423 8.4516 8.4516 12.7256 12.7256 12.8180 12.8180 16.2231 16.2231 17.1088 17.1088 k = 0.0000 0.8286 0.4754 ( 2472 PWs) bands (ev): -5.7960 -5.7960 -5.6741 -5.6741 3.5210 3.5210 3.7318 3.7318 4.3524 4.3524 4.6740 4.6740 5.0979 5.0979 5.1840 5.1840 5.7433 5.7433 6.1795 6.1795 6.6020 6.6020 6.7880 6.7880 6.9819 6.9819 7.2501 7.2501 7.4169 7.4169 7.6519 7.6519 7.8162 7.8162 8.4011 8.4011 12.6958 12.6958 12.8054 12.8054 16.2462 16.2462 17.1944 17.1944 k = 0.0000 0.8286 0.4924 ( 2476 PWs) bands (ev): -5.7908 -5.7908 -5.6793 -5.6793 3.5518 3.5518 3.7511 3.7511 4.3726 4.3726 4.7246 4.7246 5.0864 5.0864 5.1863 5.1863 5.7510 5.7510 6.1497 6.1497 6.6037 6.6037 6.7872 6.7872 6.9467 6.9467 7.2356 7.2356 7.3943 7.3943 7.6097 7.6097 7.8049 7.8049 8.3518 8.3518 12.6704 12.6704 12.7911 12.7911 16.2746 16.2746 17.2457 17.2457 k = 0.0000 0.8286 0.5094 ( 2476 PWs) bands (ev): -5.7855 -5.7855 -5.6846 -5.6846 3.5820 3.5820 3.7686 3.7686 4.3933 4.3933 4.7704 4.7704 5.0626 5.0626 5.2030 5.2030 5.7593 5.7593 6.1200 6.1200 6.6057 6.6057 6.7856 6.7856 6.9146 6.9146 7.2212 7.2212 7.3713 7.3713 7.5639 7.5639 7.8039 7.8039 8.3041 8.3041 12.6496 12.6496 12.7755 12.7755 16.3083 16.3083 17.2620 17.2620 k = 0.0000 0.8286 0.5263 ( 2484 PWs) bands (ev): -5.7801 -5.7801 -5.6900 -5.6900 3.6116 3.6116 3.7838 3.7838 4.4147 4.4147 4.8067 4.8067 5.0421 5.0421 5.2227 5.2227 5.7679 5.7679 6.0905 6.0905 6.6080 6.6080 6.7813 6.7813 6.8883 6.8883 7.2060 7.2060 7.3487 7.3487 7.5183 7.5183 7.8095 7.8095 8.2581 8.2581 12.6332 12.6332 12.7588 12.7588 16.3469 16.3469 17.2491 17.2491 k = 0.0000 0.8286 0.5433 ( 2484 PWs) bands (ev): -5.7747 -5.7747 -5.6955 -5.6955 3.6402 3.6402 3.7965 3.7965 4.4370 4.4370 4.8258 4.8258 5.0359 5.0359 5.2412 5.2412 5.7772 5.7772 6.0614 6.0614 6.6102 6.6102 6.7714 6.7714 6.8718 6.8718 7.1890 7.1890 7.3279 7.3279 7.4756 7.4756 7.8197 7.8197 8.2141 8.2141 12.6209 12.6209 12.7414 12.7414 16.3899 16.3899 17.2145 17.2145 k = 0.0000 0.8286 0.5603 ( 2486 PWs) bands (ev): -5.7692 -5.7692 -5.7011 -5.7011 3.6676 3.6676 3.8062 3.8062 4.4605 4.4605 4.8225 4.8225 5.0498 5.0498 5.2568 5.2568 5.7873 5.7873 6.0327 6.0327 6.6125 6.6125 6.7543 6.7543 6.8675 6.8675 7.1687 7.1687 7.3101 7.3101 7.4371 7.4371 7.8333 7.8333 8.1722 8.1722 12.6125 12.6125 12.7236 12.7236 16.4371 16.4371 17.1657 17.1657 k = 0.0000 0.8286 0.5773 ( 2482 PWs) bands (ev): -5.7636 -5.7636 -5.7067 -5.7067 3.6936 3.6936 3.8126 3.8126 4.4854 4.4854 4.8020 4.8020 5.0788 5.0788 5.2682 5.2682 5.7985 5.7985 6.0046 6.0046 6.6149 6.6149 6.7328 6.7328 6.8736 6.8736 7.1442 7.1442 7.2970 7.2970 7.4036 7.4036 7.8497 7.8497 8.1323 8.1323 12.6078 12.6078 12.7059 12.7059 16.4879 16.4879 17.1083 17.1083 k = 0.0000 0.8286 0.5942 ( 2482 PWs) bands (ev): -5.7580 -5.7580 -5.7123 -5.7123 3.7179 3.7179 3.8156 3.8156 4.5118 4.5118 4.7723 4.7723 5.1141 5.1141 5.2747 5.2747 5.8110 5.8110 5.9772 5.9772 6.6178 6.6178 6.7104 6.7104 6.8869 6.8869 7.1154 7.1154 7.2891 7.2891 7.3750 7.3750 7.8685 7.8685 8.0946 8.0946 12.6066 12.6066 12.6887 12.6887 16.5421 16.5421 17.0461 17.0461 k = 0.0000 0.8286 0.6112 ( 2482 PWs) bands (ev): -5.7523 -5.7523 -5.7180 -5.7180 3.7401 3.7401 3.8150 3.8150 4.5400 4.5400 4.7387 4.7387 5.1504 5.1504 5.2753 5.2753 5.8252 5.8252 5.9508 5.9508 6.6215 6.6215 6.6894 6.6894 6.9058 6.9058 7.0837 7.0837 7.2862 7.2862 7.3509 7.3509 7.8895 7.8895 8.0590 8.0590 12.6086 12.6086 12.6722 12.6722 16.5993 16.5993 16.9813 16.9813 k = 0.0000 0.8286 0.6282 ( 2478 PWs) bands (ev): -5.7466 -5.7466 -5.7237 -5.7237 3.7601 3.7601 3.8107 3.8107 4.5699 4.5699 4.7037 4.7037 5.1844 5.1844 5.2698 5.2698 5.8413 5.8413 5.9256 5.9256 6.6266 6.6266 6.6710 6.6710 6.9290 6.9290 7.0506 7.0506 7.2878 7.2878 7.3311 7.3311 7.9126 7.9126 8.0256 8.0256 12.6135 12.6135 12.6569 12.6569 16.6591 16.6591 16.9155 16.9155 k = 0.0000 0.8286 0.6452 ( 2480 PWs) bands (ev): -5.7409 -5.7409 -5.7294 -5.7294 3.7774 3.7774 3.8029 3.8029 4.6014 4.6014 4.6688 4.6688 5.2144 5.2144 5.2576 5.2576 5.8595 5.8595 5.9018 5.9018 6.6336 6.6336 6.6555 6.6555 6.9558 6.9558 7.0174 7.0174 7.2933 7.2933 7.3149 7.3149 7.9378 7.9378 7.9943 7.9943 12.6211 12.6211 12.6431 12.6431 16.7210 16.7210 16.8497 16.8497 k = 0.0000 0.8286 0.6622 ( 2484 PWs) bands (ev): -5.7351 -5.7351 -5.7351 -5.7351 3.7917 3.7917 3.7917 3.7917 4.6345 4.6345 4.6345 4.6345 5.2390 5.2390 5.2390 5.2390 5.8796 5.8796 5.8796 5.8796 6.6431 6.6431 6.6431 6.6431 6.9855 6.9855 6.9855 6.9855 7.3023 7.3023 7.3023 7.3023 7.9650 7.9650 7.9650 7.9650 12.6310 12.6310 12.6310 12.6310 16.7847 16.7847 16.7847 16.7847 k = 0.0000 0.8286 0.6622 ( 2484 PWs) bands (ev): -5.7351 -5.7351 -5.7351 -5.7351 3.7917 3.7917 3.7917 3.7917 4.6345 4.6345 4.6345 4.6345 5.2390 5.2390 5.2390 5.2390 5.8796 5.8796 5.8796 5.8796 6.6431 6.6431 6.6431 6.6431 6.9855 6.9855 6.9855 6.9855 7.3023 7.3023 7.3023 7.3023 7.9650 7.9650 7.9650 7.9650 12.6310 12.6310 12.6310 12.6310 16.7847 16.7847 16.7847 16.7847 k = 0.0164 0.8286 0.6622 ( 2480 PWs) bands (ev): -5.7352 -5.7352 -5.7351 -5.7351 3.7918 3.7918 3.7924 3.7924 4.6311 4.6311 4.6333 4.6333 5.2402 5.2402 5.2414 5.2414 5.8776 5.8776 5.8820 5.8820 6.6384 6.6384 6.6469 6.6469 6.9755 6.9755 6.9947 6.9947 7.3016 7.3016 7.3032 7.3032 7.9536 7.9536 7.9782 7.9782 12.6318 12.6318 12.6329 12.6329 16.7725 16.7725 16.7927 16.7927 k = 0.0327 0.8286 0.6622 ( 2480 PWs) bands (ev): -5.7353 -5.7353 -5.7351 -5.7351 3.7926 3.7926 3.7937 3.7937 4.6234 4.6234 4.6275 4.6275 5.2449 5.2449 5.2470 5.2470 5.8758 5.8758 5.8845 5.8845 6.6328 6.6328 6.6497 6.6497 6.9650 6.9650 7.0030 7.0030 7.3011 7.3011 7.3042 7.3042 7.9443 7.9443 7.9931 7.9931 12.6353 12.6353 12.6374 12.6374 16.7565 16.7565 16.7965 16.7965 k = 0.0491 0.8286 0.6622 ( 2476 PWs) bands (ev): -5.7353 -5.7353 -5.7350 -5.7350 3.7942 3.7942 3.7958 3.7958 4.6116 4.6116 4.6175 4.6175 5.2528 5.2528 5.2555 5.2555 5.8744 5.8744 5.8873 5.8873 6.6262 6.6262 6.6518 6.6518 6.9543 6.9543 7.0103 7.0103 7.3008 7.3008 7.3051 7.3051 7.9372 7.9372 8.0092 8.0092 12.6413 12.6413 12.6444 12.6444 16.7368 16.7368 16.7960 16.7960 k = 0.0655 0.8286 0.6622 ( 2476 PWs) bands (ev): -5.7354 -5.7354 -5.7350 -5.7350 3.7964 3.7964 3.7986 3.7986 4.5964 4.5964 4.6038 4.6038 5.2636 5.2636 5.2663 5.2663 5.8733 5.8733 5.8902 5.8902 6.6185 6.6185 6.6531 6.6531 6.9435 6.9435 7.0165 7.0165 7.3008 7.3008 7.3061 7.3061 7.9323 7.9323 8.0265 8.0265 12.6497 12.6497 12.6539 12.6539 16.7139 16.7139 16.7913 16.7913 k = 0.0818 0.8286 0.6622 ( 2474 PWs) bands (ev): -5.7356 -5.7356 -5.7351 -5.7351 3.7993 3.7993 3.8020 3.8020 4.5785 4.5785 4.5868 4.5868 5.2767 5.2767 5.2787 5.2787 5.8726 5.8726 5.8931 5.8931 6.6097 6.6097 6.6536 6.6536 6.9331 6.9331 7.0215 7.0215 7.3011 7.3011 7.3070 7.3070 7.9297 7.9297 8.0445 8.0445 12.6605 12.6605 12.6657 12.6657 16.6883 16.6883 16.7827 16.7827 k = 0.0982 0.8286 0.6622 ( 2472 PWs) bands (ev): -5.7357 -5.7357 -5.7351 -5.7351 3.8029 3.8029 3.8060 3.8060 4.5584 4.5584 4.5674 4.5674 5.2914 5.2914 5.2920 5.2920 5.8723 5.8723 5.8961 5.8961 6.5999 6.5999 6.6533 6.6533 6.9234 6.9234 7.0255 7.0255 7.3019 7.3019 7.3080 7.3080 7.9294 7.9294 8.0631 8.0631 12.6734 12.6734 12.6796 12.6796 16.6604 16.6604 16.7705 16.7705 k = 0.1145 0.8286 0.6622 ( 2472 PWs) bands (ev): -5.7359 -5.7359 -5.7352 -5.7352 3.8070 3.8070 3.8106 3.8106 4.5367 4.5367 4.5461 4.5461 5.3058 5.3058 5.3071 5.3071 5.8723 5.8723 5.8990 5.8990 6.5890 6.5890 6.6523 6.6523 6.9145 6.9145 7.0284 7.0284 7.3031 7.3031 7.3091 7.3091 7.9313 7.9313 8.0820 8.0820 12.6882 12.6882 12.6954 12.6954 16.6308 16.6308 16.7551 16.7551 k = 0.1309 0.8286 0.6622 ( 2476 PWs) bands (ev): -5.7361 -5.7361 -5.7353 -5.7353 3.8116 3.8116 3.8156 3.8156 4.5142 4.5142 4.5237 4.5237 5.3193 5.3193 5.3232 5.3232 5.8726 5.8726 5.9017 5.9017 6.5773 6.5773 6.6506 6.6506 6.9066 6.9066 7.0305 7.0305 7.3047 7.3047 7.3103 7.3103 7.9352 7.9352 8.1010 8.1010 12.7047 12.7047 12.7128 12.7128 16.6001 16.6001 16.7370 16.7370 k = 0.1473 0.8286 0.6622 ( 2478 PWs) bands (ev): -5.7363 -5.7363 -5.7355 -5.7355 3.8166 3.8166 3.8209 3.8209 4.4912 4.4912 4.5006 4.5006 5.3322 5.3322 5.3393 5.3393 5.8733 5.8733 5.9043 5.9043 6.5649 6.5649 6.6483 6.6483 6.8999 6.8999 7.0318 7.0318 7.3068 7.3068 7.3119 7.3119 7.9409 7.9409 8.1198 8.1198 12.7224 12.7224 12.7315 12.7315 16.5688 16.5688 16.7169 16.7169 k = 0.1636 0.8286 0.6622 ( 2480 PWs) bands (ev): -5.7366 -5.7366 -5.7357 -5.7357 3.8219 3.8219 3.8265 3.8265 4.4684 4.4684 4.4776 4.4776 5.3439 5.3439 5.3547 5.3547 5.8743 5.8743 5.9066 5.9066 6.5521 6.5521 6.6454 6.6454 6.8944 6.8944 7.0324 7.0324 7.3093 7.3093 7.3138 7.3138 7.9481 7.9481 8.1383 8.1383 12.7412 12.7412 12.7511 12.7511 16.5375 16.5375 16.6953 16.6953 k = 0.1800 0.8286 0.6622 ( 2478 PWs) bands (ev): -5.7369 -5.7369 -5.7359 -5.7359 3.8273 3.8273 3.8321 3.8321 4.4461 4.4461 4.4551 4.4551 5.3541 5.3541 5.3691 5.3691 5.8756 5.8756 5.9086 5.9086 6.5393 6.5393 6.6421 6.6421 6.8902 6.8902 7.0326 7.0326 7.3123 7.3123 7.3163 7.3163 7.9566 7.9566 8.1562 8.1562 12.7606 12.7606 12.7713 12.7713 16.5070 16.5070 16.6729 16.6729 k = 0.1964 0.8286 0.6622 ( 2482 PWs) bands (ev): -5.7373 -5.7373 -5.7363 -5.7363 3.8328 3.8328 3.8376 3.8376 4.4249 4.4249 4.4336 4.4336 5.3625 5.3625 5.3820 5.3820 5.8773 5.8773 5.9104 5.9104 6.5267 6.5267 6.6384 6.6384 6.8872 6.8872 7.0324 7.0324 7.3157 7.3157 7.3192 7.3192 7.9662 7.9662 8.1734 8.1734 12.7802 12.7802 12.7918 12.7918 16.4778 16.4778 16.6504 16.6504 k = 0.2127 0.8286 0.6622 ( 2490 PWs) bands (ev): -5.7377 -5.7377 -5.7367 -5.7367 3.8381 3.8381 3.8427 3.8427 4.4053 4.4053 4.4136 4.4136 5.3689 5.3689 5.3929 5.3929 5.8792 5.8792 5.9118 5.9118 6.5148 6.5148 6.6344 6.6344 6.8852 6.8852 7.0320 7.0320 7.3195 7.3195 7.3228 7.3228 7.9764 7.9764 8.1896 8.1896 12.7998 12.7998 12.8120 12.8120 16.4505 16.4505 16.6286 16.6286 k = 0.2291 0.8286 0.6622 ( 2486 PWs) bands (ev): -5.7382 -5.7382 -5.7371 -5.7371 3.8429 3.8429 3.8474 3.8474 4.3876 4.3876 4.3957 4.3957 5.3729 5.3729 5.4016 5.4016 5.8814 5.8814 5.9130 5.9130 6.5038 6.5038 6.6304 6.6304 6.8844 6.8844 7.0314 7.0314 7.3237 7.3237 7.3269 7.3269 7.9871 7.9871 8.2049 8.2049 12.8188 12.8188 12.8317 12.8317 16.4257 16.4257 16.6079 16.6079 k = 0.2455 0.8286 0.6622 ( 2484 PWs) bands (ev): -5.7388 -5.7388 -5.7377 -5.7377 3.8472 3.8472 3.8511 3.8511 4.3723 4.3723 4.3804 4.3804 5.3746 5.3746 5.4076 5.4076 5.8838 5.8838 5.9140 5.9140 6.4942 6.4942 6.6265 6.6265 6.8844 6.8844 7.0309 7.0309 7.3284 7.3284 7.3316 7.3316 7.9981 7.9981 8.2189 8.2189 12.8370 12.8370 12.8504 12.8504 16.4041 16.4041 16.5892 16.5892 k = 0.2618 0.8286 0.6622 ( 2480 PWs) bands (ev): -5.7395 -5.7395 -5.7383 -5.7383 3.8505 3.8505 3.8539 3.8539 4.3598 4.3598 4.3680 4.3680 5.3737 5.3737 5.4109 5.4109 5.8864 5.8864 5.9149 5.9149 6.4862 6.4862 6.6227 6.6227 6.8852 6.8852 7.0303 7.0303 7.3335 7.3335 7.3368 7.3368 8.0091 8.0091 8.2315 8.2315 12.8539 12.8539 12.8676 12.8676 16.3861 16.3861 16.5729 16.5729 k = 0.2782 0.8286 0.6622 ( 2478 PWs) bands (ev): -5.7403 -5.7403 -5.7391 -5.7391 3.8528 3.8528 3.8553 3.8553 4.3505 4.3505 4.3590 4.3590 5.3703 5.3703 5.4111 5.4111 5.8892 5.8892 5.9156 5.9156 6.4799 6.4799 6.6193 6.6193 6.8866 6.8866 7.0298 7.0298 7.3389 7.3389 7.3425 7.3425 8.0198 8.0198 8.2426 8.2426 12.8693 12.8693 12.8832 12.8832 16.3722 16.3722 16.5596 16.5596 k = 0.2782 0.8286 0.6622 ( 2478 PWs) bands (ev): -5.7403 -5.7403 -5.7391 -5.7391 3.8528 3.8528 3.8553 3.8553 4.3505 4.3505 4.3590 4.3590 5.3703 5.3703 5.4111 5.4111 5.8892 5.8892 5.9156 5.9156 6.4799 6.4799 6.6193 6.6193 6.8866 6.8866 7.0298 7.0298 7.3389 7.3389 7.3425 7.3425 8.0198 8.0198 8.2426 8.2426 12.8693 12.8693 12.8832 12.8832 16.3722 16.3722 16.5596 16.5596 k = 0.2728 0.8126 0.6622 ( 2482 PWs) bands (ev): -5.7379 -5.7379 -5.7368 -5.7368 3.8464 3.8464 3.8518 3.8518 4.3762 4.3762 4.3837 4.3837 5.3850 5.3850 5.4152 5.4152 5.8799 5.8799 5.9127 5.9127 6.4972 6.4972 6.6295 6.6295 6.8818 6.8818 7.0314 7.0314 7.3214 7.3214 7.3245 7.3245 7.9864 7.9864 8.2099 8.2099 12.8245 12.8245 12.8380 12.8380 16.4089 16.4089 16.5960 16.5960 k = 0.2675 0.7967 0.6622 ( 2486 PWs) bands (ev): -5.7363 -5.7363 -5.7352 -5.7352 3.8387 3.8387 3.8468 3.8468 4.4035 4.4035 4.4103 4.4103 5.3987 5.3987 5.4186 5.4186 5.8704 5.8704 5.9083 5.9083 6.5144 6.5144 6.6391 6.6391 6.8787 6.8787 7.0330 7.0330 7.3049 7.3049 7.3087 7.3087 7.9547 7.9547 8.1784 8.1784 12.7836 12.7836 12.7967 12.7967 16.4438 16.4438 16.6301 16.6301 k = 0.2621 0.7808 0.6622 ( 2486 PWs) bands (ev): -5.7353 -5.7353 -5.7343 -5.7343 3.8305 3.8305 3.8408 3.8408 4.4316 4.4316 4.4382 4.4382 5.4111 5.4111 5.4213 5.4213 5.8607 5.8607 5.9025 5.9025 6.5309 6.5309 6.6478 6.6478 6.8774 6.8774 7.0341 7.0341 7.2897 7.2897 7.2954 7.2954 7.9252 7.9252 8.1488 8.1488 12.7466 12.7466 12.7593 12.7593 16.4772 16.4772 16.6622 16.6622 k = 0.2568 0.7648 0.6622 ( 2482 PWs) bands (ev): -5.7350 -5.7350 -5.7340 -5.7340 3.8224 3.8224 3.8346 3.8346 4.4599 4.4599 4.4664 4.4664 5.4222 5.4222 5.4234 5.4234 5.8510 5.8510 5.8954 5.8954 6.5462 6.5462 6.6554 6.6554 6.8780 6.8780 7.0345 7.0345 7.2756 7.2756 7.2848 7.2848 7.8985 7.8985 8.1214 8.1214 12.7136 12.7136 12.7260 12.7260 16.5092 16.5092 16.6926 16.6926 k = 0.2514 0.7489 0.6622 ( 2490 PWs) bands (ev): -5.7354 -5.7354 -5.7345 -5.7345 3.8147 3.8147 3.8286 3.8286 4.4877 4.4877 4.4945 4.4945 5.4249 5.4249 5.4316 5.4316 5.8412 5.8412 5.8872 5.8872 6.5596 6.5596 6.6617 6.6617 6.8803 6.8803 7.0336 7.0336 7.2625 7.2625 7.2769 7.2769 7.8751 7.8751 8.0967 8.0967 12.6847 12.6847 12.6967 12.6967 16.5401 16.5401 16.7215 16.7215 k = 0.2461 0.7330 0.6622 ( 2486 PWs) bands (ev): -5.7364 -5.7364 -5.7356 -5.7356 3.8079 3.8079 3.8233 3.8233 4.5147 4.5147 4.5218 4.5218 5.4259 5.4259 5.4395 5.4395 5.8315 5.8315 5.8781 5.8781 6.5710 6.5710 6.6668 6.6668 6.8843 6.8843 7.0312 7.0312 7.2506 7.2506 7.2717 7.2717 7.8558 7.8558 8.0754 8.0754 12.6598 12.6598 12.6716 12.6716 16.5703 16.5703 16.7494 16.7494 k = 0.2407 0.7170 0.6622 ( 2482 PWs) bands (ev): -5.7382 -5.7382 -5.7374 -5.7374 3.8021 3.8021 3.8188 3.8188 4.5403 4.5403 4.5479 4.5479 5.4264 5.4264 5.4457 5.4457 5.8221 5.8221 5.8683 5.8683 6.5801 6.5801 6.6706 6.6706 6.8894 6.8894 7.0271 7.0271 7.2397 7.2397 7.2685 7.2685 7.8411 7.8411 8.0579 8.0579 12.6392 12.6392 12.6506 12.6506 16.6000 16.6000 16.7766 16.7766 k = 0.2354 0.7011 0.6622 ( 2482 PWs) bands (ev): -5.7406 -5.7406 -5.7399 -5.7399 3.7977 3.7977 3.8153 3.8153 4.5643 4.5643 4.5724 4.5724 5.4265 5.4265 5.4501 5.4501 5.8131 5.8131 5.8581 5.8581 6.5869 6.5869 6.6732 6.6732 6.8951 6.8951 7.0216 7.0216 7.2297 7.2297 7.2666 7.2666 7.8319 7.8319 8.0448 8.0448 12.6227 12.6227 12.6338 12.6338 16.6294 16.6294 16.8034 16.8034 k = 0.2300 0.6852 0.6622 ( 2486 PWs) bands (ev): -5.7438 -5.7438 -5.7431 -5.7431 3.7946 3.7946 3.8131 3.8131 4.5861 4.5861 4.5947 4.5947 5.4263 5.4263 5.4529 5.4529 5.8046 5.8046 5.8478 5.8478 6.5917 6.5917 6.6747 6.6747 6.9008 6.9008 7.0150 7.0150 7.2205 7.2205 7.2651 7.2651 7.8285 7.8285 8.0364 8.0364 12.6104 12.6104 12.6212 12.6212 16.6589 16.6589 16.8303 16.8303 k = 0.2247 0.6692 0.6622 ( 2486 PWs) bands (ev): -5.7476 -5.7476 -5.7470 -5.7470 3.7930 3.7930 3.8122 3.8122 4.6054 4.6054 4.6144 4.6144 5.4259 5.4259 5.4541 5.4541 5.7967 5.7967 5.8376 5.8376 6.5947 6.5947 6.6753 6.6753 6.9060 6.9060 7.0076 7.0076 7.2119 7.2119 7.2632 7.2632 7.8313 7.8313 8.0333 8.0333 12.6023 12.6023 12.6129 12.6129 16.6886 16.6886 16.8574 16.8574 k = 0.2193 0.6533 0.6622 ( 2486 PWs) bands (ev): -5.7520 -5.7520 -5.7515 -5.7515 3.7929 3.7929 3.8127 3.8127 4.6218 4.6218 4.6312 4.6312 5.4254 5.4254 5.4540 5.4540 5.7896 5.7896 5.8280 5.8280 6.5963 6.5963 6.6752 6.6752 6.9102 6.9102 6.9998 6.9998 7.2036 7.2036 7.2602 7.2602 7.8405 7.8405 8.0355 8.0355 12.5984 12.5984 12.6087 12.6087 16.7189 16.7189 16.8851 16.8851 k = 0.2140 0.6374 0.6622 ( 2486 PWs) bands (ev): -5.7571 -5.7571 -5.7566 -5.7566 3.7945 3.7945 3.8145 3.8145 4.6350 4.6350 4.6445 4.6445 5.4250 5.4250 5.4529 5.4529 5.7832 5.7832 5.8193 5.8193 6.5966 6.5966 6.6744 6.6744 6.9133 6.9133 6.9920 6.9920 7.1956 7.1956 7.2559 7.2559 7.8557 7.8557 8.0432 8.0432 12.5988 12.5988 12.6088 12.6088 16.7498 16.7498 16.9136 16.9136 k = 0.2086 0.6214 0.6622 ( 2486 PWs) bands (ev): -5.7627 -5.7627 -5.7624 -5.7624 3.7975 3.7975 3.8178 3.8178 4.6445 4.6445 4.6542 4.6542 5.4247 5.4247 5.4510 5.4510 5.7776 5.7776 5.8117 5.8117 6.5960 6.5960 6.6733 6.6733 6.9150 6.9150 6.9844 6.9844 7.1877 7.1877 7.2502 7.2502 7.8765 7.8765 8.0562 8.0562 12.6034 12.6034 12.6130 12.6130 16.7815 16.7815 16.9430 16.9430 k = 0.2033 0.6055 0.6622 ( 2482 PWs) bands (ev): -5.7690 -5.7690 -5.7687 -5.7687 3.8022 3.8022 3.8224 3.8224 4.6501 4.6501 4.6598 4.6598 5.4244 5.4244 5.4485 5.4485 5.7730 5.7730 5.8058 5.8058 6.5947 6.5947 6.6720 6.6720 6.9154 6.9154 6.9774 6.9774 7.1799 7.1799 7.2434 7.2434 7.9023 7.9023 8.0742 8.0742 12.6122 12.6122 12.6215 12.6215 16.8141 16.8141 16.9735 16.9735 k = 0.1979 0.5896 0.6622 ( 2478 PWs) bands (ev): -5.7758 -5.7758 -5.7756 -5.7756 3.8084 3.8084 3.8284 3.8284 4.6515 4.6515 4.6613 4.6613 5.4242 5.4242 5.4459 5.4459 5.7693 5.7693 5.8017 5.8017 6.5929 6.5929 6.6705 6.6705 6.9146 6.9146 6.9710 6.9710 7.1721 7.1721 7.2358 7.2358 7.9322 7.9322 8.0968 8.0968 12.6251 12.6251 12.6341 12.6341 16.8477 16.8477 17.0051 17.0051 k = 0.1926 0.5736 0.6622 ( 2470 PWs) bands (ev): -5.7831 -5.7831 -5.7829 -5.7829 3.8161 3.8161 3.8357 3.8357 4.6485 4.6485 4.6585 4.6585 5.4237 5.4237 5.4430 5.4430 5.7666 5.7666 5.7998 5.7998 6.5909 6.5909 6.6691 6.6691 6.9127 6.9127 6.9654 6.9654 7.1648 7.1648 7.2279 7.2279 7.9655 7.9655 8.1233 8.1233 12.6421 12.6421 12.6507 12.6507 16.8824 16.8824 17.0381 17.0381 k = 0.1872 0.5577 0.6622 ( 2474 PWs) bands (ev): -5.7909 -5.7909 -5.7908 -5.7908 3.8252 3.8252 3.8442 3.8442 4.6412 4.6412 4.6514 4.6514 5.4228 5.4228 5.4401 5.4401 5.7649 5.7649 5.8003 5.8003 6.5886 6.5886 6.6678 6.6678 6.9100 6.9100 6.9608 6.9608 7.1578 7.1578 7.2200 7.2200 8.0015 8.0015 8.1533 8.1533 12.6632 12.6632 12.6714 12.6714 16.9181 16.9181 17.0723 17.0723 k = 0.1819 0.5418 0.6622 ( 2474 PWs) bands (ev): -5.7992 -5.7992 -5.7991 -5.7991 3.8357 3.8357 3.8538 3.8538 4.6297 4.6297 4.6405 4.6405 5.4212 5.4212 5.4371 5.4371 5.7645 5.7645 5.8034 5.8034 6.5863 6.5863 6.6666 6.6666 6.9065 6.9065 6.9571 6.9571 7.1518 7.1518 7.2127 7.2127 8.0396 8.0396 8.1861 8.1861 12.6883 12.6883 12.6960 12.6960 16.9548 16.9548 17.1077 17.1077 k = 0.1765 0.5258 0.6622 ( 2474 PWs) bands (ev): -5.8078 -5.8078 -5.8078 -5.8078 3.8474 3.8474 3.8644 3.8644 4.6142 4.6142 4.6258 4.6258 5.4185 5.4185 5.4337 5.4337 5.7652 5.7652 5.8090 5.8090 6.5841 6.5841 6.6655 6.6655 6.9025 6.9025 6.9545 6.9545 7.1468 7.1468 7.2064 7.2064 8.0791 8.0791 8.2212 8.2212 12.7173 12.7173 12.7245 12.7245 16.9926 16.9926 17.1444 17.1444 k = 0.1712 0.5099 0.6622 ( 2474 PWs) bands (ev): -5.8169 -5.8169 -5.8169 -5.8169 3.8604 3.8604 3.8759 3.8759 4.5949 4.5949 4.6079 4.6079 5.4146 5.4146 5.4297 5.4297 5.7673 5.7673 5.8171 5.8171 6.5821 6.5821 6.6645 6.6645 6.8982 6.8982 6.9529 6.9529 7.1434 7.1434 7.2015 7.2015 8.1196 8.1196 8.2579 8.2579 12.7500 12.7500 12.7566 12.7566 17.0311 17.0311 17.1821 17.1821 k = 0.1658 0.4940 0.6622 ( 2470 PWs) bands (ev): -5.8263 -5.8263 -5.8262 -5.8262 3.8744 3.8744 3.8880 3.8880 4.5725 4.5725 4.5873 4.5873 5.4092 5.4092 5.4249 5.4249 5.7706 5.7706 5.8273 5.8273 6.5803 6.5803 6.6635 6.6635 6.8937 6.8937 6.9523 6.9523 7.1417 7.1417 7.1985 7.1985 8.1608 8.1608 8.2958 8.2958 12.7864 12.7864 12.7924 12.7924 17.0705 17.0705 17.2208 17.2208 k = 0.1605 0.4780 0.6622 ( 2466 PWs) bands (ev): -5.8360 -5.8360 -5.8358 -5.8358 3.8893 3.8893 3.9007 3.9007 4.5472 4.5472 4.5645 4.5645 5.4023 5.4023 5.4190 5.4190 5.7751 5.7751 5.8393 5.8393 6.5789 6.5789 6.6625 6.6625 6.8891 6.8891 6.9525 6.9525 7.1420 7.1420 7.1979 7.1979 8.2021 8.2021 8.3345 8.3345 12.8263 12.8263 12.8315 12.8315 17.1103 17.1103 17.2603 17.2603 k = 0.1551 0.4621 0.6622 ( 2454 PWs) bands (ev): -5.8459 -5.8459 -5.8457 -5.8457 3.9050 3.9050 3.9137 3.9137 4.5198 4.5198 4.5401 4.5401 5.3938 5.3938 5.4118 5.4118 5.7807 5.7807 5.8526 5.8526 6.5779 6.5779 6.6613 6.6613 6.8847 6.8847 6.9533 6.9533 7.1448 7.1448 7.2001 7.2001 8.2435 8.2435 8.3735 8.3735 12.8694 12.8694 12.8739 12.8739 17.1505 17.1505 17.3003 17.3003 k = 0.1498 0.4462 0.6622 ( 2458 PWs) bands (ev): -5.8560 -5.8560 -5.8558 -5.8558 3.9212 3.9212 3.9267 3.9267 4.4908 4.4908 4.5147 4.5147 5.3838 5.3838 5.4032 5.4032 5.7872 5.7872 5.8666 5.8666 6.5771 6.5771 6.6598 6.6598 6.8805 6.8805 6.9544 6.9544 7.1500 7.1500 7.2055 7.2055 8.2844 8.2844 8.4125 8.4125 12.9156 12.9156 12.9192 12.9192 17.1906 17.1906 17.3405 17.3405 k = 0.1444 0.4302 0.6622 ( 2462 PWs) bands (ev): -5.8662 -5.8662 -5.8660 -5.8660 3.9377 3.9377 3.9393 3.9393 4.4607 4.4607 4.4890 4.4890 5.3723 5.3723 5.3932 5.3932 5.7944 5.7944 5.8807 5.8807 6.5767 6.5767 6.6580 6.6580 6.8767 6.8767 6.9556 6.9556 7.1581 7.1581 7.2146 7.2146 8.3249 8.3249 8.4513 8.4513 12.9646 12.9646 12.9674 12.9674 17.2303 17.2303 17.3803 17.3803 k = 0.1391 0.4143 0.6622 ( 2458 PWs) bands (ev): -5.8766 -5.8766 -5.8763 -5.8763 3.9512 3.9512 3.9542 3.9542 4.4303 4.4303 4.4639 4.4639 5.3595 5.3595 5.3816 5.3816 5.8021 5.8021 5.8944 5.8944 6.5767 6.5767 6.6558 6.6558 6.8734 6.8734 6.9566 6.9566 7.1691 7.1691 7.2276 7.2276 8.3649 8.3649 8.4898 8.4898 13.0162 13.0162 13.0180 13.0180 17.2690 17.2690 17.4194 17.4194 k = 0.1337 0.3983 0.6622 ( 2460 PWs) bands (ev): -5.8870 -5.8870 -5.8867 -5.8867 3.9617 3.9617 3.9702 3.9702 4.4004 4.4004 4.4400 4.4400 5.3454 5.3454 5.3686 5.3686 5.8100 5.8100 5.9074 5.9074 6.5769 6.5769 6.6532 6.6532 6.8708 6.8708 6.9573 6.9573 7.1833 7.1833 7.2446 7.2446 8.4041 8.4041 8.5275 8.5275 13.0700 13.0700 13.0708 13.0708 17.3061 17.3061 17.4567 17.4567 k = 0.1284 0.3824 0.6622 ( 2456 PWs) bands (ev): -5.8974 -5.8974 -5.8971 -5.8971 3.9703 3.9703 3.9851 3.9851 4.3718 4.3718 4.4183 4.4183 5.3302 5.3302 5.3543 5.3543 5.8178 5.8178 5.9192 5.9192 6.5773 6.5773 6.6502 6.6502 6.8688 6.8688 6.9575 6.9575 7.2007 7.2007 7.2655 7.2655 8.4426 8.4426 8.5647 8.5647 13.1254 13.1254 13.1258 13.1258 17.3404 17.3404 17.4911 17.4911 k = 0.1230 0.3665 0.6622 ( 2450 PWs) bands (ev): -5.9077 -5.9077 -5.9074 -5.9074 3.9764 3.9764 3.9980 3.9980 4.3458 4.3458 4.3996 4.3996 5.3139 5.3139 5.3388 5.3388 5.8255 5.8255 5.9296 5.9296 6.5777 6.5777 6.6469 6.6469 6.8675 6.8675 6.9573 6.9573 7.2213 7.2213 7.2902 7.2902 8.4802 8.4802 8.6009 8.6009 13.1816 13.1816 13.1831 13.1831 17.3707 17.3707 17.5207 17.5207 k = 0.1177 0.3505 0.6622 ( 2458 PWs) bands (ev): -5.9180 -5.9180 -5.9177 -5.9177 3.9790 3.9790 4.0077 4.0077 4.3235 4.3235 4.3850 4.3850 5.2965 5.2965 5.3220 5.3220 5.8328 5.8328 5.9383 5.9383 6.5780 6.5780 6.6432 6.6432 6.8669 6.8669 6.9566 6.9566 7.2451 7.2451 7.3183 7.3183 8.5170 8.5170 8.6362 8.6362 13.2389 13.2389 13.2416 13.2416 17.3946 17.3946 17.5425 17.5425 k = 0.1123 0.3346 0.6622 ( 2454 PWs) bands (ev): -5.9282 -5.9282 -5.9278 -5.9278 3.9778 3.9778 4.0129 4.0129 4.3067 4.3067 4.3751 4.3751 5.2783 5.2783 5.3042 5.3042 5.8397 5.8397 5.9454 5.9454 6.5781 6.5781 6.6393 6.6393 6.8670 6.8670 6.9556 6.9556 7.2721 7.2721 7.3495 7.3495 8.5530 8.5530 8.6706 8.6706 13.2969 13.2969 13.3008 13.3008 17.4094 17.4094 17.5519 17.5519 k = 0.1070 0.3187 0.6622 ( 2454 PWs) bands (ev): -5.9382 -5.9382 -5.9378 -5.9378 3.9725 3.9725 4.0124 4.0124 4.2966 4.2966 4.3704 4.3704 5.2592 5.2592 5.2854 5.2854 5.8460 5.8460 5.9508 5.9508 6.5781 6.5781 6.6351 6.6351 6.8678 6.8678 6.9543 6.9543 7.3018 7.3018 7.3832 7.3832 8.5882 8.5882 8.7040 8.7040 13.3553 13.3553 13.3604 13.3604 17.4107 17.4107 17.5426 17.5426 k = 0.1016 0.3027 0.6622 ( 2454 PWs) bands (ev): -5.9480 -5.9480 -5.9476 -5.9476 3.9631 3.9631 4.0056 4.0056 4.2941 4.2941 4.3710 4.3710 5.2393 5.2393 5.2657 5.2657 5.8518 5.8518 5.9546 5.9546 6.5777 6.5777 6.6307 6.6307 6.8691 6.8691 6.9528 6.9528 7.3341 7.3341 7.4189 7.4189 8.6226 8.6226 8.7364 8.7364 13.4135 13.4135 13.4198 13.4198 17.3941 17.3941 17.5087 17.5087 k = 0.0963 0.2868 0.6622 ( 2464 PWs) bands (ev): -5.9575 -5.9575 -5.9572 -5.9572 3.9501 3.9501 3.9928 3.9928 4.2989 4.2989 4.3764 4.3764 5.2187 5.2187 5.2453 5.2453 5.8569 5.8569 5.9569 5.9569 6.5770 6.5770 6.6262 6.6262 6.8709 6.8709 6.9512 6.9512 7.3686 7.3686 7.4560 7.4560 8.6563 8.6563 8.7677 8.7677 13.4711 13.4711 13.4787 13.4787 17.3566 17.3566 17.4493 17.4493 k = 0.0909 0.2709 0.6622 ( 2460 PWs) bands (ev): -5.9668 -5.9668 -5.9664 -5.9664 3.9343 3.9343 3.9755 3.9755 4.3097 4.3097 4.3861 4.3861 5.1974 5.1974 5.2241 5.2241 5.8615 5.8615 5.9579 5.9579 6.5760 6.5760 6.6216 6.6216 6.8732 6.8732 6.9496 6.9496 7.4050 7.4050 7.4941 7.4941 8.6894 8.6894 8.7981 8.7981 13.5277 13.5277 13.5365 13.5365 17.2989 17.2989 17.3702 17.3702 k = 0.0856 0.2549 0.6622 ( 2460 PWs) bands (ev): -5.9757 -5.9757 -5.9753 -5.9753 3.9164 3.9164 3.9551 3.9551 4.3253 4.3253 4.3994 4.3994 5.1755 5.1755 5.2023 5.2023 5.8655 5.8655 5.9577 5.9577 6.5749 6.5749 6.6170 6.6170 6.8757 6.8757 6.9479 6.9479 7.4427 7.4427 7.5326 7.5326 8.7217 8.7217 8.8274 8.8274 13.5829 13.5829 13.5927 13.5927 17.2256 17.2256 17.2791 17.2791 k = 0.0802 0.2390 0.6622 ( 2460 PWs) bands (ev): -5.9843 -5.9843 -5.9839 -5.9839 3.8972 3.8972 3.9328 3.9328 4.3443 4.3443 4.4156 4.4156 5.1530 5.1530 5.1800 5.1800 5.8691 5.8691 5.9564 5.9564 6.5735 6.5735 6.6123 6.6123 6.8786 6.8786 6.9463 6.9463 7.4812 7.4812 7.5710 7.5710 8.7535 8.7535 8.8557 8.8557 13.6360 13.6360 13.6468 13.6468 17.1426 17.1426 17.1824 17.1824 k = 0.0749 0.2231 0.6622 ( 2456 PWs) bands (ev): -5.9924 -5.9924 -5.9921 -5.9921 3.8773 3.8773 3.9097 3.9097 4.3659 4.3659 4.4342 4.4342 5.1300 5.1300 5.1571 5.1571 5.8722 5.8722 5.9544 5.9544 6.5720 6.5720 6.6077 6.6077 6.8816 6.8816 6.9447 6.9447 7.5200 7.5200 7.6088 7.6088 8.7846 8.7846 8.8830 8.8830 13.6868 13.6868 13.6985 13.6985 17.0549 17.0549 17.0845 17.0845 k = 0.0695 0.2071 0.6622 ( 2460 PWs) bands (ev): -6.0002 -6.0002 -5.9999 -5.9999 3.8574 3.8574 3.8866 3.8866 4.3893 4.3893 4.4545 4.4545 5.1065 5.1065 5.1337 5.1337 5.8749 5.8749 5.9517 5.9517 6.5703 6.5703 6.6032 6.6032 6.8848 6.8848 6.9432 6.9432 7.5587 7.5587 7.6455 7.6455 8.8151 8.8151 8.9090 8.9090 13.7348 13.7348 13.7472 13.7472 16.9663 16.9663 16.9882 16.9882 k = 0.0642 0.1912 0.6622 ( 2464 PWs) bands (ev): -6.0075 -6.0075 -6.0072 -6.0072 3.8378 3.8378 3.8639 3.8639 4.4140 4.4140 4.4763 4.4763 5.0825 5.0825 5.1100 5.1100 5.8772 5.8772 5.9484 5.9484 6.5687 6.5687 6.5987 6.5987 6.8881 6.8881 6.9417 6.9417 7.5968 7.5968 7.6807 7.6807 8.8448 8.8448 8.9339 8.9339 13.7796 13.7796 13.7925 13.7925 16.8794 16.8794 16.8956 16.8956 k = 0.0588 0.1753 0.6622 ( 2460 PWs) bands (ev): -6.0143 -6.0143 -6.0140 -6.0140 3.8189 3.8189 3.8422 3.8422 4.4397 4.4397 4.4992 4.4992 5.0581 5.0581 5.0859 5.0859 5.8794 5.8794 5.9447 5.9447 6.5671 6.5671 6.5944 6.5944 6.8914 6.8914 6.9403 6.9403 7.6339 7.6339 7.7139 7.7139 8.8738 8.8738 8.9575 8.9575 13.8209 13.8209 13.8341 13.8341 16.7963 16.7963 16.8080 16.8080 k = 0.0535 0.1593 0.6622 ( 2460 PWs) bands (ev): -6.0206 -6.0206 -6.0204 -6.0204 3.8010 3.8010 3.8217 3.8217 4.4661 4.4661 4.5229 4.5229 5.0334 5.0334 5.0615 5.0615 5.8813 5.8813 5.9407 5.9407 6.5655 6.5655 6.5903 6.5903 6.8947 6.8947 6.9389 6.9389 7.6695 7.6695 7.7449 7.7449 8.9018 8.9018 8.9796 8.9796 13.8585 13.8585 13.8718 13.8718 16.7182 16.7182 16.7265 16.7265 k = 0.0481 0.1434 0.6622 ( 2464 PWs) bands (ev): -6.0264 -6.0264 -6.0262 -6.0262 3.7844 3.7844 3.8025 3.8025 4.4931 4.4931 4.5472 4.5472 5.0083 5.0083 5.0368 5.0368 5.8831 5.8831 5.9365 5.9365 6.5641 6.5641 6.5863 6.5863 6.8979 6.8979 6.9375 6.9375 7.7031 7.7031 7.7731 7.7731 8.9286 8.9286 9.0002 9.0002 13.8922 13.8922 13.9053 13.9053 16.6461 16.6461 16.6518 16.6518 k = 0.0428 0.1275 0.6622 ( 2456 PWs) bands (ev): -6.0317 -6.0317 -6.0314 -6.0314 3.7692 3.7692 3.7850 3.7850 4.5203 4.5203 4.5720 4.5720 4.9831 4.9831 5.0120 5.0120 5.8849 5.8849 5.9323 5.9323 6.5629 6.5629 6.5826 6.5826 6.9012 6.9012 6.9361 6.9361 7.7347 7.7347 7.7986 7.7986 8.9542 8.9542 9.0189 9.0189 13.9219 13.9219 13.9345 13.9345 16.5808 16.5808 16.5844 16.5844 k = 0.0374 0.1115 0.6622 ( 2456 PWs) bands (ev): -6.0363 -6.0363 -6.0361 -6.0361 3.7556 3.7556 3.7692 3.7692 4.5477 4.5477 4.5968 4.5968 4.9578 4.9578 4.9871 4.9871 5.8866 5.8866 5.9281 5.9281 6.5619 6.5619 6.5790 6.5790 6.9043 6.9043 6.9346 6.9346 7.7636 7.7636 7.8209 7.8209 8.9782 8.9782 9.0357 9.0357 13.9476 13.9476 13.9595 13.9595 16.5226 16.5226 16.5247 16.5247 k = 0.0321 0.0956 0.6622 ( 2456 PWs) bands (ev): -6.0404 -6.0404 -6.0402 -6.0402 3.7438 3.7438 3.7551 3.7551 4.5751 4.5751 4.6217 4.6217 4.9325 4.9325 4.9621 4.9621 5.8884 5.8884 5.9239 5.9239 6.5611 6.5611 6.5758 6.5758 6.9073 6.9073 6.9331 6.9331 7.7899 7.7899 7.8399 7.8399 9.0003 9.0003 9.0503 9.0503 13.9695 13.9695 13.9803 13.9803 16.4720 16.4720 16.4731 16.4731 k = 0.0267 0.0797 0.6622 ( 2456 PWs) bands (ev): -6.0439 -6.0439 -6.0437 -6.0437 3.7337 3.7337 3.7430 3.7430 4.6023 4.6023 4.6461 4.6461 4.9076 4.9076 4.9372 4.9372 5.8903 5.8903 5.9198 5.9198 6.5605 6.5605 6.5728 6.5728 6.9102 6.9102 6.9316 6.9316 7.8131 7.8131 7.8555 7.8555 9.0202 9.0202 9.0623 9.0623 13.9876 13.9876 13.9970 13.9970 16.4292 16.4292 16.4295 16.4295 k = 0.0214 0.0637 0.6622 ( 2460 PWs) bands (ev): -6.0467 -6.0467 -6.0466 -6.0466 3.7255 3.7255 3.7329 3.7329 4.6290 4.6290 4.6696 4.6696 4.8834 4.8834 4.9127 4.9127 5.8923 5.8923 5.9159 5.9159 6.5603 6.5603 6.5701 6.5701 6.9129 6.9129 6.9301 6.9301 7.8331 7.8331 7.8675 7.8675 9.0378 9.0378 9.0718 9.0718 14.0022 14.0022 14.0101 14.0101 16.3940 16.3940 16.3941 16.3941 k = 0.0160 0.0478 0.6622 ( 2460 PWs) bands (ev): -6.0489 -6.0489 -6.0489 -6.0489 3.7192 3.7192 3.7247 3.7247 4.6549 4.6549 4.6912 4.6912 4.8611 4.8611 4.8889 4.8889 5.8945 5.8945 5.9121 5.9121 6.5604 6.5604 6.5677 6.5677 6.9156 6.9156 6.9284 6.9284 7.8499 7.8499 7.8759 7.8759 9.0528 9.0528 9.0784 9.0784 14.0135 14.0135 14.0196 14.0196 16.3666 16.3666 16.3669 16.3669 k = 0.0107 0.0319 0.6622 ( 2464 PWs) bands (ev): -6.0505 -6.0505 -6.0505 -6.0505 3.7150 3.7150 3.7186 3.7186 4.6792 4.6792 4.7087 4.7087 4.8426 4.8426 4.8665 4.8665 5.8968 5.8968 5.9086 5.9086 6.5608 6.5608 6.5657 6.5657 6.9180 6.9180 6.9265 6.9265 7.8632 7.8632 7.8806 7.8806 9.0648 9.0648 9.0820 9.0820 14.0216 14.0216 14.0258 14.0258 16.3472 16.3472 16.3474 16.3474 k = 0.0053 0.0159 0.6622 ( 2460 PWs) bands (ev): -6.0515 -6.0515 -6.0515 -6.0515 3.7128 3.7128 3.7146 3.7146 4.7002 4.7002 4.7180 4.7180 4.8322 4.8322 4.8472 4.8472 5.8994 5.8994 5.9053 5.9053 6.5615 6.5615 6.5640 6.5640 6.9204 6.9204 6.9246 6.9246 7.8730 7.8730 7.8817 7.8817 9.0739 9.0739 9.0825 9.0825 14.0269 14.0269 14.0290 14.0290 16.3356 16.3356 16.3358 16.3358 k = 0.0000 0.0000 0.6622 ( 2464 PWs) bands (ev): -6.0518 -6.0518 -6.0518 -6.0518 3.7127 3.7127 3.7127 3.7127 4.7148 4.7148 4.7148 4.7148 4.8341 4.8341 4.8341 4.8341 5.9022 5.9022 5.9022 5.9022 6.5625 6.5625 6.5625 6.5625 6.9226 6.9226 6.9226 6.9226 7.8792 7.8792 7.8792 7.8792 9.0798 9.0798 9.0798 9.0798 14.0294 14.0294 14.0294 14.0294 16.3318 16.3318 16.3318 16.3318 k = 0.0000 0.0000 0.6622 ( 2464 PWs) bands (ev): -6.0518 -6.0518 -6.0518 -6.0518 3.7127 3.7127 3.7127 3.7127 4.7148 4.7148 4.7148 4.7148 4.8341 4.8341 4.8341 4.8341 5.9022 5.9022 5.9022 5.9022 6.5625 6.5625 6.5625 6.5625 6.9226 6.9226 6.9226 6.9226 7.8792 7.8792 7.8792 7.8792 9.0798 9.0798 9.0798 9.0798 14.0294 14.0294 14.0294 14.0294 16.3318 16.3318 16.3318 16.3318 k = 0.0000 0.0000 0.6452 ( 2464 PWs) bands (ev): -6.0733 -6.0733 -6.0308 -6.0308 3.6989 3.6989 3.7291 3.7291 4.6946 4.6946 4.7350 4.7350 4.8272 4.8272 4.8440 4.8440 5.8938 5.8938 5.9108 5.9108 6.5485 6.5485 6.5768 6.5768 6.9160 6.9160 6.9287 6.9287 7.8665 7.8665 7.8906 7.8906 9.0714 9.0714 9.0842 9.0842 13.9278 13.9278 14.1270 14.1270 16.2520 16.2520 16.4132 16.4132 k = 0.0000 0.0000 0.6282 ( 2460 PWs) bands (ev): -6.0952 -6.0952 -6.0104 -6.0104 3.6880 3.6880 3.7479 3.7479 4.6751 4.6751 4.7544 4.7544 4.8238 4.8238 4.8565 4.8565 5.8855 5.8855 5.9193 5.9193 6.5347 6.5347 6.5911 6.5911 6.9091 6.9091 6.9344 6.9344 7.8526 7.8526 7.9009 7.9009 9.0593 9.0593 9.0846 9.0846 13.8231 13.8231 14.2199 14.2199 16.1746 16.1746 16.4957 16.4957 k = 0.0000 0.0000 0.6112 ( 2452 PWs) bands (ev): -6.1176 -6.1176 -5.9907 -5.9907 3.6803 3.6803 3.7687 3.7687 4.6568 4.6568 4.7714 4.7714 4.8249 4.8249 4.8716 4.8716 5.8775 5.8775 5.9278 5.9278 6.5214 6.5214 6.6054 6.6054 6.9019 6.9019 6.9395 6.9395 7.8375 7.8375 7.9099 7.9099 9.0437 9.0437 9.0809 9.0809 13.7156 13.7156 14.3068 14.3068 16.1006 16.1006 16.5792 16.5792 k = 0.0000 0.0000 0.5942 ( 2452 PWs) bands (ev): -6.1403 -6.1403 -5.9715 -5.9715 3.6758 3.6758 3.7909 3.7909 4.6404 4.6404 4.7842 4.7842 4.8324 4.8324 4.8891 4.8891 5.8697 5.8697 5.9359 5.9359 6.5087 6.5087 6.6197 6.6197 6.8945 6.8945 6.9440 6.9440 7.8211 7.8211 7.9178 7.9178 9.0248 9.0248 9.0728 9.0728 13.6056 13.6056 14.3859 14.3859 16.0316 16.0316 16.6633 16.6633 k = 0.0000 0.0000 0.5773 ( 2448 PWs) bands (ev): -6.1633 -6.1633 -5.9531 -5.9531 3.6747 3.6747 3.8141 3.8141 4.6265 4.6265 4.7926 4.7926 4.8463 4.8463 4.9088 4.9088 5.8623 5.8623 5.9436 5.9436 6.4967 6.4967 6.6339 6.6339 6.8869 6.8869 6.9478 6.9478 7.8033 7.8033 7.9245 7.9245 9.0027 9.0027 9.0606 9.0606 13.4935 13.4935 14.4548 14.4548 15.9700 15.9700 16.7481 16.7481 k = 0.0000 0.0000 0.5603 ( 2448 PWs) bands (ev): -6.1866 -6.1866 -5.9353 -5.9353 3.6771 3.6771 3.8374 3.8374 4.6159 4.6159 4.7991 4.7991 4.8643 4.8643 4.9306 4.9306 5.8551 5.8551 5.9506 5.9506 6.4857 6.4857 6.6480 6.6480 6.8792 6.8792 6.9508 6.9508 7.7843 7.7843 7.9300 7.9300 8.9778 8.9778 9.0440 9.0440 13.3793 13.3793 14.5107 14.5107 15.9185 15.9185 16.8335 16.8335 k = 0.0000 0.0000 0.5433 ( 2446 PWs) bands (ev): -6.2101 -6.2101 -5.9183 -5.9183 3.6829 3.6829 3.8602 3.8602 4.6094 4.6094 4.8055 4.8055 4.8845 4.8845 4.9540 4.9540 5.8482 5.8482 5.9568 5.9568 6.4758 6.4758 6.6620 6.6620 6.8715 6.8715 6.9530 6.9530 7.7640 7.7640 7.9345 7.9345 8.9503 8.9503 9.0231 9.0231 13.2633 13.2633 14.5500 14.5500 15.8806 15.8806 16.9195 16.9195 k = 0.0000 0.0000 0.5263 ( 2454 PWs) bands (ev): -6.2336 -6.2336 -5.9020 -5.9020 3.6923 3.6923 3.8814 3.8814 4.6078 4.6078 4.8130 4.8130 4.9058 4.9058 4.9790 4.9790 5.8416 5.8416 5.9617 5.9617 6.4672 6.4672 6.6758 6.6758 6.8638 6.8638 6.9542 6.9542 7.7423 7.7423 7.9379 7.9379 8.9204 8.9204 8.9981 8.9981 13.1455 13.1455 14.5694 14.5694 15.8598 15.8598 17.0062 17.0062 k = 0.0000 0.0000 0.5094 ( 2454 PWs) bands (ev): -6.2572 -6.2572 -5.8865 -5.8865 3.7052 3.7052 3.9001 3.9001 4.6120 4.6120 4.8219 4.8219 4.9280 4.9280 5.0053 5.0053 5.8353 5.8353 5.9654 5.9654 6.4603 6.4603 6.6895 6.6895 6.8562 6.8562 6.9546 6.9546 7.7194 7.7194 7.9402 7.9402 8.8886 8.8886 8.9689 8.9689 13.0261 13.0261 14.5667 14.5667 15.8583 15.8583 17.0935 17.0935 k = 0.0000 0.0000 0.4924 ( 2454 PWs) bands (ev): -6.2809 -6.2809 -5.8718 -5.8718 3.7216 3.7216 3.9156 3.9156 4.6228 4.6228 4.8325 4.8325 4.9509 4.9509 5.0329 5.0329 5.8292 5.8292 5.9675 5.9675 6.4551 6.4551 6.7031 6.7031 6.8488 6.8488 6.9539 6.9539 7.6953 7.6953 7.9416 7.9416 8.8549 8.8549 8.9358 8.9358 12.9051 12.9051 14.5412 14.5412 15.8769 15.8769 17.1815 17.1815 k = 0.0000 0.0000 0.4754 ( 2454 PWs) bands (ev): -6.3044 -6.3044 -5.8579 -5.8579 3.7414 3.7414 3.9272 3.9272 4.6407 4.6407 4.8448 4.8448 4.9742 4.9742 5.0619 5.0619 5.8234 5.8234 5.9679 5.9679 6.4516 6.4516 6.7164 6.7164 6.8416 6.8416 6.9522 6.9522 7.6698 7.6698 7.9419 7.9419 8.8198 8.8198 8.8990 8.8990 12.7826 12.7826 14.4948 14.4948 15.9139 15.9139 17.2701 17.2701 k = 0.0000 0.0000 0.4584 ( 2450 PWs) bands (ev): -6.3278 -6.3278 -5.8448 -5.8448 3.7646 3.7646 3.9345 3.9345 4.6659 4.6659 4.8590 4.8590 4.9979 4.9979 5.0921 5.0921 5.8179 5.8179 5.9665 5.9665 6.4501 6.4501 6.7295 6.7295 6.8347 6.8347 6.9496 6.9496 7.6431 7.6431 7.9412 7.9412 8.7834 8.7834 8.8586 8.8586 12.6588 12.6588 14.4304 14.4304 15.9666 15.9666 17.3593 17.3593 k = 0.0000 0.0000 0.4414 ( 2454 PWs) bands (ev): -6.3509 -6.3509 -5.8324 -5.8324 3.7911 3.7911 3.9375 3.9375 4.6982 4.6982 4.8750 4.8750 5.0217 5.0217 5.1238 5.1238 5.8126 5.8126 5.9633 5.9633 6.4503 6.4503 6.7422 6.7422 6.8281 6.8281 6.9459 6.9459 7.6153 7.6153 7.9396 7.9396 8.7458 8.7458 8.8151 8.8151 12.5337 12.5337 14.3516 14.3516 16.0316 16.0316 17.4489 17.4489 k = 0.0000 0.0000 0.4245 ( 2450 PWs) bands (ev): -6.3738 -6.3738 -5.8209 -5.8209 3.8208 3.8208 3.9365 3.9365 4.7372 4.7372 4.8930 4.8930 5.0457 5.0457 5.1569 5.1569 5.8076 5.8076 5.9583 5.9583 6.4522 6.4522 6.7544 6.7544 6.8219 6.8219 6.9416 6.9416 7.5863 7.5863 7.9372 7.9372 8.7070 8.7070 8.7690 8.7690 12.4075 12.4075 14.2617 14.2617 16.1058 16.1058 17.5388 17.5388 k = 0.0000 0.0000 0.4075 ( 2454 PWs) bands (ev): -6.3964 -6.3964 -5.8101 -5.8101 3.8534 3.8534 3.9320 3.9320 4.7818 4.7818 4.9132 4.9132 5.0695 5.0695 5.1916 5.1916 5.8028 5.8028 5.9517 5.9517 6.4554 6.4554 6.7653 6.7653 6.8162 6.8162 6.9369 6.9369 7.5561 7.5561 7.9339 7.9339 8.6665 8.6665 8.7213 8.7213 12.2804 12.2804 14.1636 14.1636 16.1866 16.1866 17.6286 17.6286 k = 0.0000 0.0000 0.3905 ( 2456 PWs) bands (ev): -6.4186 -6.4186 -5.8000 -5.8000 3.8889 3.8889 3.9246 3.9246 4.8306 4.8306 4.9361 4.9361 5.0934 5.0934 5.2277 5.2277 5.7983 5.7983 5.9438 5.9438 6.4598 6.4598 6.7744 6.7744 6.8114 6.8114 6.9323 6.9323 7.5250 7.5250 7.9298 7.9298 8.6232 8.6232 8.6737 8.6737 12.1525 12.1525 14.0596 14.0596 16.2717 16.2717 17.7175 17.7175 k = 0.0000 0.0000 0.3735 ( 2452 PWs) bands (ev): -6.4403 -6.4403 -5.7907 -5.7907 3.9140 3.9140 3.9280 3.9280 4.8814 4.8814 4.9631 4.9631 5.1173 5.1173 5.2655 5.2655 5.7940 5.7940 5.9347 5.9347 6.4651 6.4651 6.7798 6.7798 6.8085 6.8085 6.9287 6.9287 7.4930 7.4930 7.9250 7.9250 8.5753 8.5753 8.6284 8.6284 12.0240 12.0240 13.9516 13.9516 16.3595 16.3595 17.8031 17.8031 k = 0.0000 0.0000 0.3565 ( 2454 PWs) bands (ev): -6.4615 -6.4615 -5.7820 -5.7820 3.9027 3.9027 3.9684 3.9684 4.9300 4.9300 4.9971 4.9971 5.1414 5.1414 5.3047 5.3047 5.7901 5.7901 5.9248 5.9248 6.4708 6.4708 6.7793 6.7793 6.8086 6.8086 6.9270 6.9270 7.4601 7.4601 7.9196 7.9196 8.5218 8.5218 8.5869 8.5869 11.8952 11.8952 13.8411 13.8411 16.4485 16.4485 17.8740 17.8740 k = 0.0000 0.0000 0.3396 ( 2462 PWs) bands (ev): -6.4821 -6.4821 -5.7741 -5.7741 3.8898 3.8898 4.0115 4.0115 4.9712 4.9712 5.0419 5.0419 5.1659 5.1659 5.3453 5.3453 5.7866 5.7866 5.9144 5.9144 6.4766 6.4766 6.7730 6.7730 6.8106 6.8106 6.9282 6.9282 7.4264 7.4264 7.9135 7.9135 8.4636 8.4636 8.5489 8.5489 11.7663 11.7663 13.7294 13.7294 16.5374 16.5374 17.9054 17.9054 k = 0.0000 0.0000 0.3226 ( 2458 PWs) bands (ev): -6.5021 -6.5021 -5.7668 -5.7668 3.8760 3.8760 4.0567 4.0567 5.0054 5.0054 5.0957 5.0957 5.1918 5.1918 5.3875 5.3875 5.7834 5.7834 5.9040 5.9040 6.4823 6.4823 6.7623 6.7623 6.8125 6.8125 6.9331 6.9331 7.3922 7.3922 7.9071 7.9071 8.4021 8.4021 8.5136 8.5136 11.6375 11.6375 13.6177 13.6177 16.6252 16.6252 17.9187 17.9187 k = 0.0000 0.0000 0.3056 ( 2458 PWs) bands (ev): -6.5213 -6.5213 -5.7602 -5.7602 3.8616 3.8616 4.1036 4.1036 5.0364 5.0364 5.1512 5.1512 5.2212 5.2212 5.4310 5.4310 5.7806 5.7806 5.8940 5.8940 6.4875 6.4875 6.7478 6.7478 6.8138 6.8138 6.9415 6.9415 7.3577 7.3577 7.9004 7.9004 8.3380 8.3380 8.4804 8.4804 11.5093 11.5093 13.5069 13.5069 16.7109 16.7109 17.9327 17.9327 k = 0.0000 0.0000 0.2886 ( 2459 PWs) bands (ev): -6.5399 -6.5399 -5.7542 -5.7542 3.8470 3.8470 4.1519 4.1519 5.0665 5.0665 5.1995 5.1995 5.2597 5.2597 5.4760 5.4760 5.7779 5.7779 5.8852 5.8852 6.4921 6.4921 6.7297 6.7297 6.8147 6.8147 6.9528 6.9528 7.3230 7.3230 7.8933 7.8933 8.2722 8.2722 8.4491 8.4491 11.3818 11.3818 13.3978 13.3978 16.7936 16.7936 17.9508 17.9508 k = 0.0000 0.0000 0.2717 ( 2455 PWs) bands (ev): -6.5576 -6.5576 -5.7487 -5.7487 3.8324 3.8324 4.2014 4.2014 5.0966 5.0966 5.2353 5.2353 5.3102 5.3102 5.5226 5.5226 5.7753 5.7753 5.8785 5.8785 6.4958 6.4958 6.7084 6.7084 6.8154 6.8154 6.9663 6.9663 7.2886 7.2886 7.8862 7.8862 8.2050 8.2050 8.4198 8.4198 11.2556 11.2556 13.2912 13.2912 16.8725 16.8725 17.9738 17.9738 k = 0.0000 0.0000 0.2547 ( 2459 PWs) bands (ev): -6.5746 -6.5746 -5.7437 -5.7437 3.8180 3.8180 4.2515 4.2515 5.1270 5.1270 5.2637 5.2637 5.3655 5.3655 5.5710 5.5710 5.7721 5.7721 5.8749 5.8749 6.4984 6.4984 6.6844 6.6844 6.8161 6.8161 6.9812 6.9812 7.2547 7.2547 7.8790 7.8790 8.1370 8.1370 8.3924 8.3924 11.1311 11.1311 13.1877 13.1877 16.9471 16.9471 18.0015 18.0015 k = 0.0000 0.0000 0.2377 ( 2461 PWs) bands (ev): -6.5906 -6.5906 -5.7393 -5.7393 3.8039 3.8039 4.3019 4.3019 5.1576 5.1576 5.2897 5.2897 5.4192 5.4192 5.6213 5.6213 5.7679 5.7679 5.8758 5.8758 6.4999 6.4999 6.6582 6.6582 6.8165 6.8165 6.9971 6.9971 7.2221 7.2221 7.8718 7.8718 8.0687 8.0687 8.3668 8.3668 11.0086 11.0086 13.0880 13.0880 17.0169 17.0169 18.0336 18.0336 k = 0.0000 0.0000 0.2207 ( 2461 PWs) bands (ev): -6.6057 -6.6057 -5.7353 -5.7353 3.7904 3.7904 4.3521 4.3521 5.1885 5.1885 5.3147 5.3147 5.4679 5.4679 5.6737 5.6737 5.7626 5.7626 5.8822 5.8822 6.5000 6.5000 6.6306 6.6306 6.8164 6.8164 7.0131 7.0131 7.1915 7.1915 7.8646 7.8646 8.0005 8.0005 8.3432 8.3432 10.8888 10.8888 12.9926 12.9926 17.0814 17.0814 18.0694 18.0694 k = 0.0000 0.0000 0.2037 ( 2457 PWs) bands (ev): -6.6199 -6.6199 -5.7318 -5.7318 3.7776 3.7776 4.4016 4.4016 5.2195 5.2195 5.3395 5.3395 5.5099 5.5099 5.7261 5.7261 5.7576 5.7576 5.8948 5.8948 6.4982 6.4982 6.6025 6.6025 6.8153 6.8153 7.0284 7.0284 7.1642 7.1642 7.8565 7.8565 7.9340 7.9340 8.3214 8.3214 10.7723 10.7723 12.9022 12.9022 17.1407 17.1407 18.1080 18.1080 k = 0.0000 0.0000 0.1868 ( 2461 PWs) bands (ev): -6.6330 -6.6330 -5.7287 -5.7287 3.7654 3.7654 4.4499 4.4499 5.2506 5.2506 5.3640 5.3640 5.5448 5.5448 5.7439 5.7439 5.7864 5.7864 5.9136 5.9136 6.4934 6.4934 6.5757 6.5757 6.8128 6.8128 7.0411 7.0411 7.1423 7.1423 7.8399 7.8399 7.8774 7.8774 8.3014 8.3014 10.6597 10.6597 12.8171 12.8171 17.1946 17.1946 18.1484 18.1484 k = 0.0000 0.0000 0.1698 ( 2455 PWs) bands (ev): -6.6452 -6.6452 -5.7260 -5.7260 3.7541 3.7541 4.4964 4.4964 5.2817 5.2817 5.3881 5.3881 5.5732 5.5732 5.7363 5.7363 5.8387 5.8387 5.9384 5.9384 6.4835 6.4835 6.5531 6.5531 6.8085 6.8085 7.0481 7.0481 7.1293 7.1293 7.7891 7.7891 7.8569 7.8569 8.2834 8.2834 10.5517 10.5517 12.7379 12.7379 17.2434 17.2434 18.1892 18.1892 k = 0.0000 0.0000 0.1528 ( 2459 PWs) bands (ev): -6.6562 -6.6562 -5.7236 -5.7236 3.7437 3.7437 4.5406 4.5406 5.3125 5.3125 5.4115 5.4115 5.5963 5.5963 5.7275 5.7275 5.8875 5.8875 5.9690 5.9690 6.4660 6.4660 6.5379 6.5379 6.8021 6.8021 7.0465 7.0465 7.1284 7.1284 7.7267 7.7267 7.8505 7.8505 8.2670 8.2670 10.4493 10.4493 12.6650 12.6650 17.2872 17.2872 18.2292 18.2292 k = 0.0000 0.0000 0.1358 ( 2455 PWs) bands (ev): -6.6662 -6.6662 -5.7215 -5.7215 3.7342 3.7342 4.5818 4.5818 5.3433 5.3433 5.4337 5.4337 5.6151 5.6151 5.7191 5.7191 5.9289 5.9289 6.0055 6.0055 6.4422 6.4422 6.5301 6.5301 6.7935 6.7935 7.0390 7.0390 7.1369 7.1369 7.6650 7.6650 7.8469 7.8469 8.2525 8.2525 10.3532 10.3532 12.5986 12.5986 17.3261 17.3261 18.2673 18.2673 k = 0.0000 0.0000 0.1188 ( 2455 PWs) bands (ev): -6.6751 -6.6751 -5.7198 -5.7198 3.7258 3.7258 4.6194 4.6194 5.3737 5.3737 5.4540 5.4540 5.6299 5.6299 5.7123 5.7123 5.9615 5.9615 6.0459 6.0459 6.4157 6.4157 6.5271 6.5271 6.7832 6.7832 7.0303 7.0303 7.1496 7.1496 7.6060 7.6060 7.8447 7.8447 8.2397 8.2397 10.2646 10.2646 12.5393 12.5393 17.3604 17.3604 18.3024 18.3024 k = 0.0000 0.0000 0.1019 ( 2451 PWs) bands (ev): -6.6828 -6.6828 -5.7183 -5.7183 3.7184 3.7184 4.6531 4.6531 5.4037 5.4037 5.4722 5.4722 5.6397 5.6397 5.7091 5.7091 5.9864 5.9864 6.0864 6.0864 6.3897 6.3897 6.5271 6.5271 6.7717 6.7717 7.0227 7.0227 7.1635 7.1635 7.5509 7.5509 7.8437 7.8437 8.2287 8.2287 10.1844 10.1844 12.4872 12.4872 17.3901 17.3901 18.3333 18.3333 k = 0.0000 0.0000 0.0849 ( 2453 PWs) bands (ev): -6.6894 -6.6894 -5.7171 -5.7171 3.7121 3.7121 4.6823 4.6823 5.4326 5.4326 5.4880 5.4880 5.6420 5.6420 5.7121 5.7121 6.0047 6.0047 6.1233 6.1233 6.3663 6.3663 6.5295 6.5295 6.7597 6.7597 7.0168 7.0168 7.1771 7.1771 7.5007 7.5007 7.8436 7.8436 8.2193 8.2193 10.1139 10.1139 12.4427 12.4427 17.4153 17.4153 18.3595 18.3595 k = 0.0000 0.0000 0.0679 ( 2457 PWs) bands (ev): -6.6948 -6.6948 -5.7161 -5.7161 3.7068 3.7068 4.7066 4.7066 5.4594 5.4594 5.5021 5.5021 5.6368 5.6368 5.7209 5.7209 6.0173 6.0173 6.1534 6.1534 6.3476 6.3476 6.5338 6.5338 6.7481 6.7481 7.0123 7.0123 7.1896 7.1896 7.4566 7.4566 7.8441 7.8441 8.2116 8.2116 10.0541 10.0541 12.4059 12.4059 17.4361 17.4361 18.3803 18.3803 k = 0.0000 0.0000 0.0509 ( 2469 PWs) bands (ev): -6.6990 -6.6990 -5.7154 -5.7154 3.7028 3.7028 4.7258 4.7258 5.4819 5.4819 5.5164 5.5164 5.6262 5.6262 5.7321 5.7321 6.0253 6.0253 6.1746 6.1746 6.3351 6.3351 6.5393 6.5393 6.7375 6.7375 7.0092 7.0092 7.2004 7.2004 7.4200 7.4200 7.8450 7.8450 8.2055 8.2055 10.0062 10.0062 12.3771 12.3771 17.4523 17.4523 18.3957 18.3957 k = 0.0000 0.0000 0.0340 ( 2467 PWs) bands (ev): -6.7020 -6.7020 -5.7148 -5.7148 3.6998 3.6998 4.7396 4.7396 5.4967 5.4967 5.5341 5.5341 5.6122 5.6122 5.7426 5.7426 6.0296 6.0296 6.1868 6.1868 6.3291 6.3291 6.5449 6.5449 6.7289 6.7289 7.0070 7.0070 7.2089 7.2089 7.3922 7.3922 7.8460 7.8460 8.2012 8.2012 9.9712 9.9712 12.3565 12.3565 17.4639 17.4639 18.4060 18.4060 k = 0.0000 0.0000 0.0170 ( 2467 PWs) bands (ev): -6.7038 -6.7038 -5.7145 -5.7145 3.6981 3.6981 4.7480 4.7480 5.5039 5.5039 5.5546 5.5546 5.5954 5.5954 5.7499 5.7499 6.0316 6.0316 6.1920 6.1920 6.3275 6.3275 6.5492 6.5492 6.7232 6.7232 7.0057 7.0057 7.2144 7.2144 7.3746 7.3746 7.8467 7.8467 8.1986 8.1986 9.9499 9.9499 12.3440 12.3440 17.4709 17.4709 18.4118 18.4118 k = 0.0000 0.0000 0.0000 ( 2463 PWs) bands (ev): -6.7044 -6.7044 -5.7144 -5.7144 3.6975 3.6975 4.7508 4.7508 5.5060 5.5060 5.5718 5.5718 5.5798 5.5798 5.7525 5.7525 6.0322 6.0322 6.1933 6.1933 6.3274 6.3274 6.5509 6.5509 6.7211 6.7211 7.0053 7.0053 7.2165 7.2165 7.3686 7.3686 7.8470 7.8470 8.1978 8.1978 9.9427 9.9427 12.3399 12.3399 17.4733 17.4733 18.4137 18.4137 k = 0.0000 0.0000 0.0000 ( 2463 PWs) bands (ev): -6.7044 -6.7044 -5.7144 -5.7144 3.6975 3.6975 4.7508 4.7508 5.5060 5.5060 5.5718 5.5718 5.5798 5.5798 5.7525 5.7525 6.0322 6.0322 6.1933 6.1933 6.3274 6.3274 6.5509 6.5509 6.7211 6.7211 7.0053 7.0053 7.2165 7.2165 7.3686 7.3686 7.8470 7.8470 8.1978 8.1978 9.9427 9.9427 12.3399 12.3399 17.4733 17.4733 18.4137 18.4137 k =-0.0156 0.0052-0.0000 ( 2463 PWs) bands (ev): -6.7038 -6.7038 -5.7150 -5.7150 3.6971 3.6971 4.7511 4.7511 5.5058 5.5058 5.5712 5.5712 5.5800 5.5800 5.7524 5.7524 6.0328 6.0328 6.1927 6.1927 6.3273 6.3273 6.5518 6.5518 6.7206 6.7206 6.9769 6.9769 7.2437 7.2437 7.3676 7.3676 7.8478 7.8478 8.1973 8.1973 9.9473 9.9473 12.3418 12.3418 17.4715 17.4715 18.4136 18.4136 k =-0.0312 0.0105-0.0000 ( 2459 PWs) bands (ev): -6.7021 -6.7021 -5.7166 -5.7166 3.6960 3.6960 4.7519 4.7519 5.5052 5.5052 5.5696 5.5696 5.5802 5.5802 5.7521 5.7521 6.0345 6.0345 6.1909 6.1909 6.3269 6.3269 6.5544 6.5544 6.7187 6.7187 6.9162 6.9162 7.3009 7.3009 7.3653 7.3653 7.8502 7.8502 8.1958 8.1958 9.9612 9.9612 12.3476 12.3476 17.4664 17.4664 18.4132 18.4132 k =-0.0469 0.0157-0.0000 ( 2459 PWs) bands (ev): -6.6993 -6.6993 -5.7192 -5.7192 3.6943 3.6943 4.7533 4.7533 5.5040 5.5040 5.5674 5.5674 5.5801 5.5801 5.7519 5.7519 6.0371 6.0371 6.1878 6.1878 6.3263 6.3263 6.5581 6.5581 6.7134 6.7134 6.8492 6.8492 7.3474 7.3474 7.3789 7.3789 7.8543 7.8543 8.1933 8.1933 9.9845 9.9845 12.3571 12.3571 17.4581 17.4581 18.4122 18.4122 k =-0.0625 0.0210-0.0000 ( 2453 PWs) bands (ev): -6.6953 -6.6953 -5.7229 -5.7229 3.6920 3.6920 4.7552 4.7552 5.5022 5.5022 5.5646 5.5646 5.5792 5.5792 5.7522 5.7522 6.0402 6.0402 6.1832 6.1832 6.3254 6.3254 6.5616 6.5616 6.6979 6.6979 6.7926 6.7926 7.3447 7.3447 7.4391 7.4391 7.8599 7.8599 8.1899 8.1899 10.0171 10.0171 12.3705 12.3705 17.4468 17.4468 18.4099 18.4099 k =-0.0781 0.0262-0.0000 ( 2457 PWs) bands (ev): -6.6902 -6.6902 -5.7277 -5.7277 3.6892 3.6892 4.7577 4.7577 5.4994 5.4994 5.5613 5.5613 5.5773 5.5773 5.7531 5.7531 6.0432 6.0432 6.1770 6.1770 6.3243 6.3243 6.5596 6.5596 6.6648 6.6648 6.7630 6.7630 7.3343 7.3343 7.5013 7.5013 7.8671 7.8671 8.1855 8.1855 10.0590 10.0590 12.3876 12.3876 17.4330 17.4330 18.4053 18.4053 k =-0.0938 0.0315-0.0000 ( 2457 PWs) bands (ev): -6.6840 -6.6840 -5.7335 -5.7335 3.6860 3.6860 4.7606 4.7606 5.4951 5.4951 5.5573 5.5573 5.5741 5.5741 5.7552 5.7552 6.0452 6.0452 6.1690 6.1690 6.3231 6.3231 6.5383 6.5383 6.6375 6.6375 6.7538 6.7538 7.3209 7.3209 7.5592 7.5592 7.8761 7.8761 8.1802 8.1802 10.1102 10.1102 12.4083 12.4083 17.4169 17.4169 18.3968 18.3968 k =-0.1094 0.0367-0.0000 ( 2457 PWs) bands (ev): -6.6767 -6.6767 -5.7404 -5.7404 3.6827 3.6827 4.7641 4.7641 5.4886 5.4886 5.5525 5.5525 5.5697 5.5697 5.7586 5.7586 6.0447 6.0447 6.1594 6.1594 6.3218 6.3218 6.4944 6.4944 6.6347 6.6347 6.7520 6.7520 7.3051 7.3051 7.6113 7.6113 7.8867 7.8867 8.1740 8.1740 10.1706 10.1706 12.4327 12.4327 17.3989 17.3989 18.3819 18.3819 k =-0.1250 0.0420-0.0000 ( 2459 PWs) bands (ev): -6.6684 -6.6684 -5.7482 -5.7482 3.6793 3.6793 4.7680 4.7680 5.4790 5.4790 5.5463 5.5463 5.5648 5.5648 5.7635 5.7635 6.0396 6.0396 6.1490 6.1490 6.3204 6.3204 6.4466 6.4466 6.6444 6.6444 6.7533 6.7533 7.2871 7.2871 7.6570 7.6570 7.8990 7.8990 8.1669 8.1669 10.2399 10.2399 12.4606 12.4606 17.3792 17.3792 18.3577 18.3577 k =-0.1406 0.0472-0.0000 ( 2459 PWs) bands (ev): -6.6590 -6.6590 -5.7570 -5.7570 3.6762 3.6762 4.7723 4.7723 5.4650 5.4650 5.5384 5.5384 5.5600 5.5600 5.7698 5.7698 6.0277 6.0277 6.1399 6.1399 6.3191 6.3191 6.4057 6.4057 6.6589 6.6589 6.7566 6.7566 7.2671 7.2671 7.6959 7.6959 7.9129 7.9129 8.1589 8.1589 10.3177 10.3177 12.4920 12.4920 17.3581 17.3581 18.3218 18.3218 k =-0.1562 0.0525-0.0000 ( 2455 PWs) bands (ev): -6.6486 -6.6486 -5.7669 -5.7669 3.6734 3.6734 4.7770 4.7770 5.4450 5.4450 5.5292 5.5292 5.5554 5.5554 5.7774 5.7774 6.0085 6.0085 6.1334 6.1334 6.3180 6.3180 6.3744 6.3744 6.6752 6.6752 6.7621 6.7621 7.2452 7.2452 7.7280 7.7280 7.9283 7.9283 8.1502 8.1502 10.4035 10.4035 12.5268 12.5268 17.3356 17.3356 18.2733 18.2733 k =-0.1719 0.0577-0.0000 ( 2455 PWs) bands (ev): -6.6372 -6.6372 -5.7776 -5.7776 3.6711 3.6711 4.7821 4.7821 5.4175 5.4175 5.5194 5.5194 5.5509 5.5509 5.7857 5.7857 5.9848 5.9848 6.1295 6.1295 6.3174 6.3174 6.3525 6.3525 6.6915 6.6915 6.7704 6.7704 7.2217 7.2217 7.7537 7.7537 7.9448 7.9448 8.1406 8.1406 10.4967 10.4967 12.5650 12.5650 17.3115 17.3115 18.2127 18.2127 k =-0.1875 0.0630-0.0000 ( 2453 PWs) bands (ev): -6.6248 -6.6248 -5.7893 -5.7893 3.6695 3.6695 4.7875 4.7875 5.3816 5.3816 5.5097 5.5097 5.5462 5.5462 5.7943 5.7943 5.9613 5.9613 6.1268 6.1268 6.3175 6.3175 6.3383 6.3383 6.7062 6.7062 6.7825 6.7825 7.1967 7.1967 7.7735 7.7735 7.9621 7.9621 8.1303 8.1303 10.5965 10.5965 12.6064 12.6064 17.2855 17.2855 18.1418 18.1418 k =-0.2031 0.0682-0.0000 ( 2453 PWs) bands (ev): -6.6116 -6.6116 -5.8019 -5.8019 3.6689 3.6689 4.7932 4.7932 5.3375 5.3375 5.5002 5.5002 5.5410 5.5410 5.8022 5.8022 5.9423 5.9423 6.1244 6.1244 6.3185 6.3185 6.3299 6.3299 6.7179 6.7179 6.7990 6.7990 7.1707 7.1707 7.7880 7.7880 7.9795 7.9795 8.1193 8.1193 10.7022 10.7022 12.6512 12.6512 17.2568 17.2568 18.0624 18.0624 k =-0.2188 0.0734-0.0000 ( 2457 PWs) bands (ev): -6.5975 -6.5975 -5.8153 -5.8153 3.6693 3.6693 4.7990 4.7990 5.2859 5.2859 5.4910 5.4910 5.5353 5.5353 5.8085 5.8085 5.9305 5.9305 6.1213 6.1213 6.3188 6.3188 6.3271 6.3271 6.7266 6.7266 6.8195 6.8195 7.1441 7.1441 7.7981 7.7981 7.9967 7.9967 8.1076 8.1076 10.8127 10.8127 12.6993 12.6993 17.2242 17.2242 17.9773 17.9773 k =-0.2344 0.0787-0.0000 ( 2461 PWs) bands (ev): -6.5825 -6.5825 -5.8296 -5.8296 3.6710 3.6710 4.8049 4.8049 5.2282 5.2282 5.4821 5.4821 5.5291 5.5291 5.8124 5.8124 5.9272 5.9272 6.1175 6.1175 6.3168 6.3168 6.3305 6.3305 6.7330 6.7330 6.8424 6.8424 7.1176 7.1176 7.8041 7.8041 8.0135 8.0135 8.0954 8.0954 10.9270 10.9270 12.7507 12.7507 17.1861 17.1861 17.8895 17.8895 k =-0.2500 0.0839-0.0000 ( 2455 PWs) bands (ev): -6.5668 -6.5668 -5.8446 -5.8446 3.6741 3.6741 4.8107 4.8107 5.1660 5.1660 5.4733 5.4733 5.5224 5.5224 5.8141 5.8141 5.9320 5.9320 6.1128 6.1128 6.3148 6.3148 6.3371 6.3371 6.7378 6.7378 6.8657 6.8657 7.0926 7.0926 7.8066 7.8066 8.0295 8.0295 8.0827 8.0827 11.0441 11.0441 12.8055 12.8055 17.1397 17.1397 17.8030 17.8030 k =-0.2656 0.0892-0.0000 ( 2455 PWs) bands (ev): -6.5504 -6.5504 -5.8603 -5.8603 3.6788 3.6788 4.8163 4.8163 5.1010 5.1010 5.4647 5.4647 5.5153 5.5153 5.8147 5.8147 5.9430 5.9430 6.1073 6.1073 6.3131 6.3131 6.3454 6.3454 6.7413 6.7413 6.8861 6.8861 7.0714 7.0714 7.8060 7.8060 8.0439 8.0439 8.0704 8.0704 11.1628 11.1628 12.8639 12.8639 17.0821 17.0821 17.7220 17.7220 k =-0.2812 0.0944-0.0000 ( 2459 PWs) bands (ev): -6.5333 -6.5333 -5.8767 -5.8767 3.6850 3.6850 4.8212 4.8212 5.0349 5.0349 5.4564 5.4564 5.5081 5.5081 5.8150 5.8150 5.9585 5.9585 6.1013 6.1013 6.3118 6.3118 6.3549 6.3549 6.7440 6.7440 6.8989 6.8989 7.0587 7.0587 7.8026 7.8026 8.0487 8.0487 8.0667 8.0667 11.2819 11.2819 12.9260 12.9260 17.0102 17.0102 17.6507 17.6507 k =-0.2969 0.0997-0.0000 ( 2465 PWs) bands (ev): -6.5156 -6.5156 -5.8937 -5.8937 3.6930 3.6930 4.8243 4.8243 4.9698 4.9698 5.4484 5.4484 5.5009 5.5009 5.8156 5.8156 5.9772 5.9772 6.0948 6.0948 6.3108 6.3108 6.3651 6.3651 6.7457 6.7457 6.8989 6.8989 7.0595 7.0595 7.7967 7.7967 8.0371 8.0371 8.0781 8.0781 11.4000 11.4000 12.9921 12.9921 16.9222 16.9222 17.5920 17.5920 k =-0.3125 0.1049-0.0000 ( 2465 PWs) bands (ev): -6.4975 -6.4975 -5.9112 -5.9112 3.7028 3.7028 4.8211 4.8211 4.9110 4.9110 5.4406 5.4406 5.4937 5.4937 5.8167 5.8167 5.9983 5.9983 6.0882 6.0882 6.3101 6.3101 6.3758 6.3758 6.7462 6.7462 6.8858 6.8858 7.0744 7.0744 7.7887 7.7887 8.0228 8.0228 8.0914 8.0914 11.5158 11.5158 13.0624 13.0624 16.8185 16.8185 17.5465 17.5465 k =-0.3281 0.1102-0.0000 ( 2464 PWs) bands (ev): -6.4790 -6.4790 -5.9292 -5.9292 3.7145 3.7145 4.7959 4.7959 4.8749 4.8749 5.4333 5.4333 5.4868 5.4868 5.8182 5.8182 6.0209 6.0209 6.0817 6.0817 6.3096 6.3096 6.3867 6.3867 6.7450 6.7450 6.8647 6.8647 7.0984 7.0984 7.7787 7.7787 8.0079 8.0079 8.1044 8.1044 11.6277 11.6277 13.1373 13.1373 16.7016 16.7016 17.5130 17.5130 k =-0.3438 0.1154-0.0000 ( 2456 PWs) bands (ev): -6.4601 -6.4601 -5.9474 -5.9474 3.7279 3.7279 4.7442 4.7442 4.8667 4.8667 5.4264 5.4264 5.4802 5.4802 5.8200 5.8200 6.0441 6.0441 6.0762 6.0762 6.3092 6.3092 6.3976 6.3976 6.7409 6.7409 6.8413 6.8413 7.1273 7.1273 7.7671 7.7671 7.9929 7.9929 8.1168 8.1168 11.7344 11.7344 13.2168 13.2168 16.5746 16.5746 17.4896 17.4896 k =-0.3594 0.1207-0.0000 ( 2458 PWs) bands (ev): -6.4412 -6.4412 -5.9658 -5.9658 3.7430 3.7430 4.6850 4.6850 4.8678 4.8678 5.4199 5.4199 5.4740 5.4740 5.8220 5.8220 6.0601 6.0601 6.0792 6.0792 6.3091 6.3091 6.4082 6.4082 6.7317 6.7317 6.8201 6.8201 7.1584 7.1584 7.7540 7.7540 7.9780 7.9780 8.1283 8.1283 11.8343 11.8343 13.3009 13.3009 16.4408 16.4408 17.4742 17.4742 k =-0.3750 0.1259-0.0000 ( 2466 PWs) bands (ev): -6.4223 -6.4223 -5.9843 -5.9843 3.7596 3.7596 4.6259 4.6259 4.8712 4.8712 5.4140 5.4140 5.4683 5.4683 5.8240 5.8240 6.0583 6.0583 6.1012 6.1012 6.3090 6.3090 6.4183 6.4183 6.7152 6.7152 6.8047 6.8047 7.1903 7.1903 7.7397 7.7397 7.9637 7.9637 8.1388 8.1388 11.9263 11.9263 13.3894 13.3894 16.3034 16.3034 17.4649 17.4649 k =-0.3906 0.1311-0.0000 ( 2464 PWs) bands (ev): -6.4036 -6.4036 -6.0025 -6.0025 3.7776 3.7776 4.5692 4.5692 4.8750 4.8750 5.4086 5.4086 5.4631 5.4631 5.8261 5.8261 6.0532 6.0532 6.1273 6.1273 6.3092 6.3092 6.4280 6.4280 6.6916 6.6916 6.7957 6.7957 7.2222 7.2222 7.7244 7.7244 7.9501 7.9501 8.1484 8.1484 12.0091 12.0091 13.4813 13.4813 16.1652 16.1652 17.4604 17.4604 k =-0.4062 0.1364-0.0000 ( 2450 PWs) bands (ev): -6.3855 -6.3855 -6.0203 -6.0203 3.7966 3.7966 4.5159 4.5159 4.8789 4.8789 5.4039 5.4039 5.4585 5.4585 5.8281 5.8281 6.0482 6.0482 6.1540 6.1540 6.3096 6.3096 6.4370 6.4370 6.6636 6.6636 6.7909 6.7909 7.2533 7.2533 7.7086 7.7086 7.9375 7.9375 8.1572 8.1572 12.0818 12.0818 13.5753 13.5753 16.0295 16.0295 17.4595 17.4595 k =-0.4219 0.1416-0.0000 ( 2452 PWs) bands (ev): -6.3683 -6.3683 -6.0372 -6.0372 3.8158 3.8158 4.4670 4.4670 4.8824 4.8824 5.3998 5.3998 5.4545 5.4545 5.8299 5.8299 6.0436 6.0436 6.1801 6.1801 6.3103 6.3103 6.4453 6.4453 6.6338 6.6338 6.7885 6.7885 7.2827 7.2827 7.6924 7.6924 7.9263 7.9263 8.1645 8.1645 12.1439 12.1439 13.6689 13.6689 15.8998 15.8998 17.4612 17.4612 k =-0.4375 0.1469-0.0000 ( 2458 PWs) bands (ev): -6.3525 -6.3525 -6.0527 -6.0527 3.8346 3.8346 4.4237 4.4237 4.8854 4.8854 5.3964 5.3964 5.4512 5.4512 5.8314 5.8314 6.0397 6.0397 6.2047 6.2047 6.3113 6.3113 6.4530 6.4530 6.6042 6.6042 6.7874 6.7874 7.3096 7.3096 7.6766 7.6766 7.9168 7.9168 8.1706 8.1706 12.1949 12.1949 13.7585 13.7585 15.7801 15.7801 17.4644 17.4644 k =-0.4531 0.1521-0.0000 ( 2466 PWs) bands (ev): -6.3387 -6.3387 -6.0662 -6.0662 3.8517 3.8517 4.3874 4.3874 4.8878 4.8878 5.3937 5.3937 5.4486 5.4486 5.8325 5.8325 6.0366 6.0366 6.2265 6.2265 6.3128 6.3128 6.4603 6.4603 6.5761 6.5761 6.7868 6.7868 7.3329 7.3329 7.6621 7.6621 7.9091 7.9091 8.1753 8.1753 12.2346 12.2346 13.8392 13.8392 15.6758 15.6758 17.4682 17.4682 k =-0.4688 0.1574-0.0000 ( 2470 PWs) bands (ev): -6.3279 -6.3279 -6.0769 -6.0769 3.8658 3.8658 4.3595 4.3595 4.8895 4.8895 5.3917 5.3917 5.4468 5.4468 5.8334 5.8334 6.0343 6.0343 6.2438 6.2438 6.3148 6.3148 6.4673 6.4673 6.5515 6.5515 6.7865 6.7865 7.3513 7.3513 7.6501 7.6501 7.9034 7.9034 8.1788 8.1788 12.2630 12.2630 13.9048 13.9048 15.5934 15.5934 17.4717 17.4717 k =-0.4844 0.1626-0.0000 ( 2482 PWs) bands (ev): -6.3209 -6.3209 -6.0838 -6.0838 3.8751 3.8751 4.3418 4.3418 4.8906 4.8906 5.3905 5.3905 5.4456 5.4456 5.8339 5.8339 6.0329 6.0329 6.2547 6.2547 6.3169 6.3169 6.4737 6.4737 6.5330 6.5330 6.7864 6.7864 7.3633 7.3633 7.6420 7.6420 7.9000 7.9000 8.1808 8.1808 12.2799 12.2799 13.9482 13.9482 15.5399 15.5399 17.4742 17.4742 k =-0.5000 0.1679-0.0000 ( 2482 PWs) bands (ev): -6.3185 -6.3185 -6.0862 -6.0862 3.8784 3.8784 4.3357 4.3357 4.8909 4.8909 5.3901 5.3901 5.4452 5.4452 5.8341 5.8341 6.0324 6.0324 6.2584 6.2584 6.3178 6.3178 6.4769 6.4769 6.5255 6.5255 6.7863 6.7863 7.3675 7.3675 7.6391 7.6391 7.8988 7.8988 8.1815 8.1815 12.2856 12.2856 13.9634 13.9634 15.5213 15.5213 17.4751 17.4751 k =-0.5000 0.1679-0.0000 ( 2482 PWs) bands (ev): -6.3185 -6.3185 -6.0862 -6.0862 3.8784 3.8784 4.3357 4.3357 4.8909 4.8909 5.3901 5.3901 5.4452 5.4452 5.8341 5.8341 6.0324 6.0324 6.2584 6.2584 6.3178 6.3178 6.4769 6.4769 6.5255 6.5255 6.7863 6.7863 7.3675 7.3675 7.6391 7.6391 7.8988 7.8988 8.1815 8.1815 12.2856 12.2856 13.9634 13.9634 15.5213 15.5213 17.4751 17.4751 k =-0.4947 0.1836-0.0000 ( 2478 PWs) bands (ev): -6.3179 -6.3179 -6.0858 -6.0858 3.8791 3.8791 4.3344 4.3344 4.8902 4.8902 5.3885 5.3885 5.4438 5.4438 5.8270 5.8270 6.0274 6.0274 6.2625 6.2625 6.3285 6.3285 6.4750 6.4750 6.5243 6.5243 6.7866 6.7866 7.3683 7.3683 7.6269 7.6269 7.9114 7.9114 8.1844 8.1844 12.2870 12.2870 13.9649 13.9649 15.5221 15.5221 17.4766 17.4766 k =-0.4894 0.1993-0.0000 ( 2474 PWs) bands (ev): -6.3163 -6.3163 -6.0846 -6.0846 3.8810 3.8810 4.3304 4.3304 4.8880 4.8880 5.3834 5.3834 5.4394 5.4394 5.8064 5.8064 6.0175 6.0175 6.2668 6.2668 6.3623 6.3623 6.4699 6.4699 6.5204 6.5204 6.7873 6.7873 7.3700 7.3700 7.5972 7.5972 7.9427 7.9427 8.1933 8.1933 12.2910 12.2910 13.9694 13.9694 15.5245 15.5245 17.4810 17.4810 k =-0.4842 0.2151-0.0000 ( 2466 PWs) bands (ev): -6.3135 -6.3135 -6.0827 -6.0827 3.8843 3.8843 4.3236 4.3236 4.8844 4.8844 5.3748 5.3748 5.4318 5.4318 5.7754 5.7754 6.0096 6.0096 6.2657 6.2657 6.4133 6.4133 6.4644 6.4644 6.5132 6.5132 6.7887 6.7887 7.3705 7.3705 7.5624 7.5624 7.9818 7.9818 8.2088 8.2088 12.2976 12.2976 13.9769 13.9769 15.5284 15.5284 17.4884 17.4884 k =-0.4789 0.2308-0.0000 ( 2458 PWs) bands (ev): -6.3097 -6.3097 -6.0799 -6.0799 3.8888 3.8888 4.3140 4.3140 4.8793 4.8793 5.3621 5.3621 5.4204 5.4204 5.7389 5.7389 6.0059 6.0059 6.2599 6.2599 6.4461 6.4461 6.4875 6.4875 6.5021 6.5021 6.7912 6.7912 7.3653 7.3653 7.5329 7.5329 8.0216 8.0216 8.2317 8.2317 12.3065 12.3065 13.9872 13.9872 15.5339 15.5339 17.4987 17.4987 k =-0.4736 0.2465-0.0000 ( 2450 PWs) bands (ev): -6.3048 -6.3048 -6.0764 -6.0764 3.8945 3.8945 4.3015 4.3015 4.8729 4.8729 5.3445 5.3445 5.4051 5.4051 5.7022 5.7022 6.0058 6.0058 6.2497 6.2497 6.4422 6.4422 6.4868 6.4868 6.5544 6.5544 6.7953 6.7953 7.3493 7.3493 7.5172 7.5172 8.0582 8.0582 8.2624 8.2624 12.3175 12.3175 14.0003 14.0003 15.5411 15.5411 17.5119 17.5119 k =-0.4683 0.2623-0.0000 ( 2450 PWs) bands (ev): -6.2988 -6.2988 -6.0722 -6.0722 3.9015 3.9015 4.2860 4.2860 4.8651 4.8651 5.3206 5.3206 5.3861 5.3861 5.6691 5.6691 6.0077 6.0077 6.2350 6.2350 6.4375 6.4375 6.4678 6.4678 6.6267 6.6267 6.8021 6.8021 7.3222 7.3222 7.5169 7.5169 8.0905 8.0905 8.3001 8.3001 12.3303 12.3303 14.0161 14.0161 15.5499 15.5499 17.5280 17.5280 k =-0.4630 0.2780-0.0000 ( 2453 PWs) bands (ev): -6.2918 -6.2918 -6.0672 -6.0672 3.9097 3.9097 4.2672 4.2672 4.8561 4.8561 5.2892 5.2892 5.3647 5.3647 5.6418 5.6418 6.0097 6.0097 6.2163 6.2163 6.4333 6.4333 6.4474 6.4474 6.6969 6.6969 6.8154 6.8154 7.2892 7.2892 7.5277 7.5277 8.1192 8.1192 8.3429 8.3429 12.3445 12.3445 14.0344 14.0344 15.5604 15.5604 17.5467 17.5467 k =-0.4577 0.2937-0.0000 ( 2449 PWs) bands (ev): -6.2837 -6.2837 -6.0615 -6.0615 3.9191 3.9191 4.2451 4.2451 4.8460 4.8460 5.2498 5.2498 5.3419 5.3419 5.6208 5.6208 6.0094 6.0094 6.1951 6.1951 6.4171 6.4171 6.4404 6.4404 6.7521 6.7521 6.8472 6.8472 7.2550 7.2550 7.5451 7.5451 8.1458 8.1458 8.3887 8.3887 12.3597 12.3597 14.0551 14.0551 15.5726 15.5726 17.5679 17.5679 k =-0.4525 0.3094-0.0000 ( 2449 PWs) bands (ev): -6.2746 -6.2746 -6.0552 -6.0552 3.9295 3.9295 4.2196 4.2196 4.8347 4.8347 5.2037 5.2037 5.3185 5.3185 5.6052 5.6052 6.0029 6.0029 6.1747 6.1747 6.3930 6.3930 6.4438 6.4438 6.7806 6.7806 6.9085 6.9085 7.2221 7.2221 7.5663 7.5663 8.1715 8.1715 8.4356 8.4356 12.3753 12.3753 14.0781 14.0781 15.5867 15.5867 17.5912 17.5912 k =-0.4472 0.3252-0.0000 ( 2449 PWs) bands (ev): -6.2645 -6.2645 -6.0482 -6.0482 3.9410 3.9410 4.1906 4.1906 4.8225 4.8225 5.1527 5.1527 5.2945 5.2945 5.5938 5.5938 5.9848 5.9848 6.1601 6.1601 6.3695 6.3695 6.4506 6.4506 6.7953 6.7953 6.9858 6.9858 7.1918 7.1918 7.5897 7.5897 8.1972 8.1972 8.4823 8.4823 12.3910 12.3910 14.1030 14.1030 15.6027 15.6027 17.6157 17.6157 k =-0.4419 0.3409-0.0000 ( 2453 PWs) bands (ev): -6.2534 -6.2534 -6.0406 -6.0406 3.9534 3.9534 4.1581 4.1581 4.8094 4.8094 5.0983 5.0983 5.2697 5.2697 5.5856 5.5856 5.9516 5.9516 6.1547 6.1547 6.3486 6.3486 6.4599 6.4599 6.8063 6.8063 7.0688 7.0688 7.1646 7.1646 7.6145 7.6145 8.2234 8.2234 8.5279 8.5279 12.4062 12.4062 14.1298 14.1298 15.6208 15.6208 17.6373 17.6373 k =-0.4366 0.3566-0.0000 ( 2447 PWs) bands (ev): -6.2414 -6.2414 -6.0325 -6.0325 3.9667 3.9667 4.1219 4.1219 4.7955 4.7955 5.0422 5.0422 5.2441 5.2441 5.5796 5.5796 5.9045 5.9045 6.1579 6.1579 6.3312 6.3312 6.4713 6.4713 6.8164 6.8164 7.1370 7.1370 7.1576 7.1576 7.6400 7.6400 8.2505 8.2505 8.5718 8.5718 12.4204 12.4204 14.1582 14.1582 15.6410 15.6410 17.6045 17.6045 k =-0.4313 0.3724-0.0000 ( 2449 PWs) bands (ev): -6.2284 -6.2284 -6.0238 -6.0238 3.9807 3.9807 4.0824 4.0824 4.7810 4.7810 4.9850 4.9850 5.2179 5.2179 5.5751 5.5751 5.8469 5.8469 6.1672 6.1672 6.3178 6.3178 6.4848 6.4848 6.8263 6.8263 7.1171 7.1171 7.2427 7.2427 7.6658 7.6658 8.2786 8.2786 8.6136 8.6136 12.4333 12.4333 14.1879 14.1879 15.6636 15.6636 17.5180 17.5180 k =-0.4261 0.3881-0.0000 ( 2453 PWs) bands (ev): -6.2146 -6.2146 -6.0147 -6.0147 3.9950 3.9950 4.0397 4.0397 4.7659 4.7659 4.9276 4.9276 5.1910 5.1910 5.5716 5.5716 5.7820 5.7820 6.1803 6.1803 6.3086 6.3086 6.5000 6.5000 6.8364 6.8364 7.0977 7.0977 7.3307 7.3307 7.6918 7.6918 8.3079 8.3079 8.6530 8.6530 12.4442 12.4442 14.2188 14.2188 15.6885 15.6885 17.4242 17.4242 k =-0.4208 0.4038-0.0000 ( 2461 PWs) bands (ev): -6.1999 -6.1999 -6.0051 -6.0051 3.9914 3.9914 4.0122 4.0122 4.7503 4.7503 4.8705 4.8705 5.1636 5.1636 5.5685 5.5685 5.7126 5.7126 6.1958 6.1958 6.3032 6.3032 6.5170 6.5170 6.8467 6.8467 7.0802 7.0802 7.4194 7.4194 7.7176 7.7176 8.3384 8.3384 8.6899 8.6899 12.4529 12.4529 14.2506 14.2506 15.7160 15.7160 17.3269 17.3269 k =-0.4155 0.4196-0.0000 ( 2461 PWs) bands (ev): -6.1844 -6.1844 -5.9951 -5.9951 3.9434 3.9434 4.0265 4.0265 4.7341 4.7341 4.8142 4.8142 5.1357 5.1357 5.5641 5.5641 5.6419 5.6419 6.2131 6.2131 6.3017 6.3017 6.5358 6.5358 6.8573 6.8573 7.0646 7.0646 7.5085 7.5085 7.7433 7.7433 8.3700 8.3700 8.7240 8.7240 12.4590 12.4590 14.2831 14.2831 15.7462 15.7462 17.2272 17.2272 k =-0.4102 0.4353-0.0000 ( 2465 PWs) bands (ev): -6.1681 -6.1681 -5.9849 -5.9849 3.8918 3.8918 4.0418 4.0418 4.7167 4.7167 4.7598 4.7598 5.1074 5.1074 5.5439 5.5439 5.5855 5.5855 6.2317 6.2317 6.3034 6.3034 6.5562 6.5562 6.8680 6.8680 7.0508 7.0508 7.5975 7.5975 7.7687 7.7687 8.4026 8.4026 8.7555 8.7555 12.4623 12.4623 14.3161 14.3161 15.7789 15.7789 17.1259 17.1259 k =-0.4049 0.4510-0.0000 ( 2465 PWs) bands (ev): -6.1511 -6.1511 -5.9743 -5.9743 3.8378 3.8378 4.0568 4.0568 4.6910 4.6910 4.7145 4.7145 5.0789 5.0789 5.4799 5.4799 5.5727 5.5727 6.2512 6.2512 6.3082 6.3082 6.5783 6.5783 6.8788 6.8788 7.0385 7.0385 7.6863 7.6863 7.7939 7.7939 8.4362 8.4362 8.7842 8.7842 12.4625 12.4625 14.3492 14.3492 15.8143 15.8143 17.0236 17.0236 k =-0.3997 0.4668-0.0000 ( 2479 PWs) bands (ev): -6.1334 -6.1334 -5.9636 -5.9636 3.7819 3.7819 4.0712 4.0712 4.6442 4.6442 4.6917 4.6917 5.0500 5.0500 5.4066 5.4066 5.5700 5.5700 6.2710 6.2710 6.3160 6.3160 6.6020 6.6020 6.8895 6.8895 7.0278 7.0278 7.7737 7.7737 7.8198 7.8198 8.4706 8.4706 8.8101 8.8101 12.4596 12.4596 14.3823 14.3823 15.8523 15.8523 16.9208 16.9208 k =-0.3944 0.4825-0.0000 ( 2471 PWs) bands (ev): -6.1150 -6.1150 -5.9528 -5.9528 3.7245 3.7245 4.0844 4.0844 4.5929 4.5929 4.6748 4.6748 5.0209 5.0209 5.3336 5.3336 5.5689 5.5689 6.2904 6.2904 6.3272 6.3272 6.6274 6.6274 6.9000 6.9000 7.0190 7.0190 7.8369 7.8369 7.8690 7.8690 8.5059 8.5059 8.8335 8.8335 12.4534 12.4534 14.4152 14.4152 15.8924 15.8924 16.8183 16.8183 k =-0.3891 0.4982-0.0000 ( 2471 PWs) bands (ev): -6.0961 -6.0961 -5.9418 -5.9418 3.6659 3.6659 4.0959 4.0959 4.5421 4.5421 4.6589 4.6589 4.9915 4.9915 5.2629 5.2629 5.5684 5.5684 6.3076 6.3076 6.3430 6.3430 6.6541 6.6541 6.9098 6.9098 7.0121 7.0121 7.8630 7.8630 7.9541 7.9541 8.5417 8.5417 8.8542 8.8542 12.4442 12.4442 14.4476 14.4476 15.9343 15.9343 16.7169 16.7169 k =-0.3838 0.5139-0.0000 ( 2467 PWs) bands (ev): -6.0766 -6.0766 -5.9309 -5.9309 3.6067 3.6067 4.1048 4.1048 4.4925 4.4925 4.6436 4.6436 4.9619 4.9619 5.1961 5.1961 5.5681 5.5681 6.3216 6.3216 6.3637 6.3637 6.6823 6.6823 6.9185 6.9185 7.0077 7.0077 7.8863 7.8863 8.0406 8.0406 8.5781 8.5781 8.8723 8.8723 12.4319 12.4319 14.4793 14.4793 15.9772 15.9772 16.6175 16.6175 k =-0.3785 0.5297-0.0000 ( 2461 PWs) bands (ev): -6.0566 -6.0566 -5.9201 -5.9201 3.5472 3.5472 4.1104 4.1104 4.4445 4.4445 4.6288 4.6288 4.9320 4.9320 5.1344 5.1344 5.5680 5.5680 6.3334 6.3334 6.3884 6.3884 6.7116 6.7116 6.9253 6.9253 7.0064 7.0064 7.9087 7.9087 8.1264 8.1264 8.6147 8.6147 8.8881 8.8881 12.4169 12.4169 14.5101 14.5101 16.0194 16.0194 16.5217 16.5217 k =-0.3732 0.5454-0.0000 ( 2465 PWs) bands (ev): -6.0361 -6.0361 -5.9094 -5.9094 3.4877 3.4877 4.1117 4.1117 4.3980 4.3980 4.6145 4.6145 4.9017 4.9017 5.0792 5.0792 5.5679 5.5679 6.3436 6.3436 6.4154 6.4154 6.7417 6.7417 6.9299 6.9299 7.0088 7.0088 7.9304 7.9304 8.2109 8.2109 8.6515 8.6515 8.9016 8.9016 12.3993 12.3993 14.5397 14.5397 16.0575 16.0575 16.4327 16.4327 k =-0.3680 0.5611-0.0000 ( 2467 PWs) bands (ev): -6.0153 -6.0153 -5.8990 -5.8990 3.4287 3.4287 4.1077 4.1077 4.3531 4.3531 4.6006 4.6006 4.8712 4.8712 5.0318 5.0318 5.5679 5.5679 6.3530 6.3530 6.4440 6.4440 6.7725 6.7725 6.9323 6.9323 7.0149 7.0149 7.9514 7.9514 8.2940 8.2940 8.6881 8.6881 8.9131 8.9131 12.3794 12.3794 14.5679 14.5679 16.0838 16.0838 16.3578 16.3578 k =-0.3627 0.5769-0.0000 ( 2467 PWs) bands (ev): -5.9942 -5.9942 -5.8889 -5.8889 3.3706 3.3706 4.0975 4.0975 4.3098 4.3098 4.5873 4.5873 4.8407 4.8407 4.9931 4.9931 5.5679 5.5679 6.3617 6.3617 6.4736 6.4736 6.8036 6.8036 6.9331 6.9331 7.0243 7.0243 7.9717 7.9717 8.3753 8.3753 8.7244 8.7244 8.9229 8.9229 12.3577 12.3577 14.5944 14.5944 16.0813 16.0813 16.3129 16.3129 k =-0.3574 0.5926-0.0000 ( 2469 PWs) bands (ev): -5.9728 -5.9728 -5.8791 -5.8791 3.3136 3.3136 4.0807 4.0807 4.2681 4.2681 4.5746 4.5746 4.8107 4.8107 4.9635 4.9635 5.5678 5.5678 6.3696 6.3696 6.5038 6.5038 6.8344 6.8344 6.9334 6.9334 7.0363 7.0363 7.9913 7.9913 8.4545 8.4545 8.7598 8.7598 8.9313 8.9313 12.3346 12.3346 14.6191 14.6191 16.0385 16.0385 16.3081 16.3081 k =-0.3521 0.6083-0.0000 ( 2469 PWs) bands (ev): -5.9513 -5.9513 -5.8699 -5.8699 3.2582 3.2582 4.0571 4.0571 4.2278 4.2278 4.5623 4.5623 4.7815 4.7815 4.9433 4.9433 5.5678 5.5678 6.3767 6.3767 6.5341 6.5341 6.8641 6.8641 6.9346 6.9346 7.0505 7.0505 8.0102 8.0102 8.5312 8.5312 8.7938 8.7938 8.9391 8.9391 12.3105 12.3105 14.6415 14.6415 15.9714 15.9714 16.3249 16.3249 k =-0.3468 0.6241-0.0000 ( 2469 PWs) bands (ev): -5.9296 -5.9296 -5.8612 -5.8612 3.2046 3.2046 4.0273 4.0273 4.1888 4.1888 4.5508 4.5508 4.7533 4.7533 4.9321 4.9321 5.5676 5.5676 6.3832 6.3832 6.5641 6.5641 6.8911 6.8911 6.9385 6.9385 7.0666 7.0666 8.0282 8.0282 8.6049 8.6049 8.8251 8.8251 8.9476 8.9476 12.2858 12.2858 14.6615 14.6615 15.8963 15.8963 16.3433 16.3433 k =-0.3416 0.6398-0.0000 ( 2473 PWs) bands (ev): -5.9078 -5.9078 -5.8531 -5.8531 3.1531 3.1531 3.9922 3.9922 4.1511 4.1511 4.5398 4.5398 4.7259 4.7259 4.9294 4.9294 5.5673 5.5673 6.3890 6.3890 6.5932 6.5932 6.9108 6.9108 6.9495 6.9495 7.0843 7.0843 8.0455 8.0455 8.6751 8.6751 8.8523 8.8523 8.9586 8.9586 12.2610 12.2610 14.6786 14.6786 15.8204 15.8204 16.3515 16.3515 k =-0.3363 0.6555-0.0000 ( 2473 PWs) bands (ev): -5.8861 -5.8861 -5.8457 -5.8457 3.1039 3.1039 3.9527 3.9527 4.1147 4.1147 4.5296 4.5296 4.6993 4.6993 4.9345 4.9345 5.5670 5.5670 6.3940 6.3940 6.6209 6.6209 6.9215 6.9215 6.9696 6.9696 7.1039 7.1039 8.0619 8.0619 8.7405 8.7405 8.8736 8.8736 8.9747 8.9747 12.2367 12.2367 14.6927 14.6927 15.7468 15.7468 16.3416 16.3416 k =-0.3310 0.6713-0.0000 ( 2473 PWs) bands (ev): -5.8645 -5.8645 -5.8391 -5.8391 3.0574 3.0574 3.9100 3.9100 4.0799 4.0799 4.5202 4.5202 4.6732 4.6732 4.9464 4.9464 5.5665 5.5665 6.3984 6.3984 6.6466 6.6466 6.9285 6.9285 6.9935 6.9935 7.1251 7.1251 8.0773 8.0773 8.7980 8.7980 8.8910 8.8910 8.9968 8.9968 12.2133 12.2133 14.7032 14.7032 15.6769 15.6769 16.3094 16.3094 k =-0.3257 0.6870-0.0000 ( 2473 PWs) bands (ev): -5.8431 -5.8431 -5.8333 -5.8333 3.0138 3.0138 3.8651 3.8651 4.0467 4.0467 4.5115 4.5115 4.6477 4.6477 4.9641 4.9641 5.5659 5.5659 6.4021 6.4021 6.6699 6.6699 6.9355 6.9355 7.0175 7.0175 7.1479 7.1479 8.0917 8.0917 8.8383 8.8383 8.9145 8.9145 9.0235 9.0235 12.1913 12.1913 14.7100 14.7100 15.6116 15.6116 16.2545 16.2545 k =-0.3204 0.7027-0.0000 ( 2469 PWs) bands (ev): -5.8289 -5.8289 -5.8214 -5.8214 2.9732 2.9732 3.8191 3.8191 4.0153 4.0153 4.5035 4.5035 4.6229 4.6229 4.9866 4.9866 5.5651 5.5651 6.4051 6.4051 6.6903 6.6903 6.9439 6.9439 7.0406 7.0406 7.1720 7.1720 8.1050 8.1050 8.8538 8.8538 8.9536 8.9536 9.0529 9.0529 12.1713 12.1713 14.7127 14.7127 15.5515 15.5515 16.1804 16.1804 k =-0.3151 0.7184-0.0000 ( 2471 PWs) bands (ev): -5.8250 -5.8250 -5.8006 -5.8006 2.9359 2.9359 3.7727 3.7727 3.9858 3.9858 4.4959 4.4959 4.5990 4.5990 5.0132 5.0132 5.5642 5.5642 6.4074 6.4074 6.7076 6.7076 6.9539 6.9539 7.0626 7.0626 7.1970 7.1970 8.1171 8.1171 8.8545 8.8545 8.9993 8.9993 9.0833 9.0833 12.1537 12.1537 14.7110 14.7110 15.4973 15.4973 16.0915 16.0915 k =-0.3099 0.7342-0.0000 ( 2479 PWs) bands (ev): -5.8222 -5.8222 -5.7800 -5.7800 2.9020 2.9020 3.7269 3.7269 3.9581 3.9581 4.4887 4.4887 4.5763 4.5763 5.0431 5.0431 5.5630 5.5630 6.4092 6.4092 6.7217 6.7217 6.9656 6.9656 7.0835 7.0835 7.2223 7.2223 8.1278 8.1278 8.8489 8.8489 9.0436 9.0436 9.1138 9.1138 12.1390 12.1390 14.7047 14.7047 15.4491 15.4491 15.9920 15.9920 k =-0.3046 0.7499-0.0000 ( 2471 PWs) bands (ev): -5.8206 -5.8206 -5.7598 -5.7598 2.8718 2.8718 3.6821 3.6821 3.9323 3.9323 4.4810 4.4810 4.5555 4.5555 5.0758 5.0758 5.5617 5.5617 6.4103 6.4103 6.7329 6.7329 6.9786 6.9786 7.1035 7.1035 7.2476 7.2476 8.1373 8.1373 8.8399 8.8399 9.0842 9.0842 9.1437 9.1437 12.1276 12.1276 14.6936 14.6936 15.4074 15.4074 15.8854 15.8854 k =-0.2993 0.7656-0.0000 ( 2469 PWs) bands (ev): -5.8201 -5.8201 -5.7401 -5.7401 2.8453 2.8453 3.6389 3.6389 3.9084 3.9084 4.4720 4.4720 4.5377 4.5377 5.1109 5.1109 5.5602 5.5602 6.4109 6.4109 6.7415 6.7415 6.9924 6.9924 7.1226 7.1226 7.2722 7.2722 8.1452 8.1452 8.8285 8.8285 9.1203 9.1203 9.1723 9.1723 12.1201 12.1201 14.6777 14.6777 15.3723 15.3723 15.7739 15.7739 k =-0.2940 0.7814-0.0000 ( 2469 PWs) bands (ev): -5.8209 -5.8209 -5.7210 -5.7210 2.8227 2.8227 3.5978 3.5978 3.8864 3.8864 4.4602 4.4602 4.5243 4.5243 5.1478 5.1478 5.5585 5.5585 6.4109 6.4109 6.7480 6.7480 7.0065 7.0065 7.1410 7.1410 7.2959 7.2959 8.1514 8.1514 8.8153 8.8153 9.1517 9.1517 9.1989 9.1989 12.1168 12.1168 14.6569 14.6569 15.3439 15.3439 15.6594 15.6594 k =-0.2887 0.7971-0.0000 ( 2477 PWs) bands (ev): -5.8229 -5.8229 -5.7025 -5.7025 2.8041 2.8041 3.5591 3.5591 3.8662 3.8662 4.4453 4.4453 4.5158 4.5158 5.1863 5.1863 5.5565 5.5565 6.4103 6.4103 6.7526 6.7526 7.0206 7.0206 7.1585 7.1585 7.3181 7.3181 8.1559 8.1559 8.8006 8.8006 9.1788 9.1788 9.2224 9.2224 12.1180 12.1180 14.6312 14.6312 15.3224 15.3224 15.5433 15.5433 k =-0.2835 0.8128-0.0000 ( 2477 PWs) bands (ev): -5.8262 -5.8262 -5.6847 -5.6847 2.7896 2.7896 3.5231 3.5231 3.8479 3.8479 4.4277 4.4277 4.5116 4.5116 5.2262 5.2262 5.5543 5.5543 6.4093 6.4093 6.7559 6.7559 7.0344 7.0344 7.1751 7.1751 7.3389 7.3389 8.1586 8.1586 8.7846 8.7846 9.2017 9.2017 9.2425 9.2425 12.1241 12.1241 14.6009 14.6009 15.3072 15.3072 15.4272 15.4272 k =-0.2782 0.8286-0.0000 ( 2477 PWs) bands (ev): -5.8309 -5.8309 -5.6677 -5.6677 2.7792 2.7792 3.4902 3.4902 3.8314 3.8314 4.4087 4.4087 4.5108 4.5108 5.2672 5.2672 5.5520 5.5520 6.4077 6.4077 6.7580 6.7580 7.0476 7.0476 7.1905 7.1905 7.3578 7.3578 8.1593 8.1593 8.7675 8.7675 9.2200 9.2200 9.2590 9.2590 12.1354 12.1354 14.5660 14.5660 15.2867 15.2867 15.3235 15.3235 k =-0.2782 0.8286-0.0000 ( 2477 PWs) bands (ev): -5.8309 -5.8309 -5.6677 -5.6677 2.7792 2.7792 3.4902 3.4902 3.8314 3.8314 4.4087 4.4087 4.5108 4.5108 5.2672 5.2672 5.5520 5.5520 6.4077 6.4077 6.7580 6.7580 7.0476 7.0476 7.1905 7.1905 7.3578 7.3578 8.1593 8.1593 8.7675 8.7675 9.2200 9.2200 9.2590 9.2590 12.1354 12.1354 14.5660 14.5660 15.2867 15.2867 15.3235 15.3235 k =-0.2782 0.8286 0.0170 ( 2473 PWs) bands (ev): -5.8308 -5.8308 -5.6677 -5.6677 2.7806 2.7806 3.4896 3.4896 3.8331 3.8331 4.4090 4.4090 4.5115 4.5115 5.2676 5.2676 5.5530 5.5530 6.4069 6.4069 6.7571 6.7571 7.0456 7.0456 7.1914 7.1914 7.3577 7.3577 8.1571 8.1571 8.7660 8.7660 9.2173 9.2173 9.2572 9.2572 12.1387 12.1387 14.5704 14.5704 15.2809 15.2809 15.3191 15.3191 k =-0.2782 0.8286 0.0340 ( 2477 PWs) bands (ev): -5.8305 -5.8305 -5.6679 -5.6679 2.7845 2.7845 3.4880 3.4880 3.8380 3.8380 4.4098 4.4098 4.5136 4.5136 5.2688 5.2688 5.5562 5.5562 6.4044 6.4044 6.7542 6.7542 7.0398 7.0398 7.1939 7.1939 7.3572 7.3572 8.1505 8.1505 8.7614 8.7614 9.2090 9.2090 9.2525 9.2525 12.1485 12.1485 14.5835 14.5835 15.2567 15.2567 15.3134 15.3134 k =-0.2782 0.8286 0.0509 ( 2479 PWs) bands (ev): -5.8301 -5.8301 -5.6681 -5.6681 2.7911 2.7911 3.4855 3.4855 3.8460 3.8460 4.4113 4.4113 4.5171 4.5171 5.2709 5.2709 5.5614 5.5614 6.4003 6.4003 6.7494 6.7494 7.0306 7.0306 7.1976 7.1976 7.3563 7.3563 8.1396 8.1396 8.7539 8.7539 9.1944 9.1944 9.2456 9.2456 12.1646 12.1646 14.6043 14.6043 15.2112 15.2112 15.3124 15.3124 k =-0.2782 0.8286 0.0679 ( 2478 PWs) bands (ev): -5.8296 -5.8296 -5.6685 -5.6685 2.8003 2.8003 3.4823 3.4823 3.8570 3.8570 4.4135 4.4135 4.5217 4.5217 5.2739 5.2739 5.5686 5.5686 6.3945 6.3945 6.7428 6.7428 7.0188 7.0188 7.2019 7.2019 7.3552 7.3552 8.1247 8.1247 8.7433 8.7433 9.1731 9.1731 9.2371 9.2371 12.1870 12.1870 14.6308 14.6308 15.1515 15.1515 15.3137 15.3137 k =-0.2782 0.8286 0.0849 ( 2482 PWs) bands (ev): -5.8289 -5.8289 -5.6689 -5.6689 2.8121 2.8121 3.4785 3.4785 3.8706 3.8706 4.4165 4.4165 4.5274 4.5274 5.2777 5.2777 5.5778 5.5778 6.3872 6.3872 6.7342 6.7342 7.0049 7.0049 7.2065 7.2065 7.3536 7.3536 8.1057 8.1057 8.7296 8.7296 9.1454 9.1454 9.2272 9.2272 12.2151 12.2151 14.6587 14.6587 15.0863 15.0863 15.3153 15.3153 k =-0.2782 0.8286 0.1019 ( 2486 PWs) bands (ev): -5.8280 -5.8280 -5.6694 -5.6694 2.8264 2.8264 3.4746 3.4746 3.8866 3.8866 4.4204 4.4204 4.5340 4.5340 5.2823 5.2823 5.5888 5.5888 6.3783 6.3783 6.7237 6.7237 6.9894 6.9894 7.2110 7.2110 7.3517 7.3517 8.0830 8.0830 8.7129 8.7129 9.1116 9.1116 9.2158 9.2158 12.2488 12.2488 14.6781 14.6781 15.0287 15.0287 15.3163 15.3163 k =-0.2782 0.8286 0.1188 ( 2484 PWs) bands (ev): -5.8270 -5.8270 -5.6700 -5.6700 2.8433 2.8433 3.4707 3.4707 3.9047 3.9047 4.4253 4.4253 4.5413 4.5413 5.2877 5.2877 5.6016 5.6016 6.3680 6.3680 6.7115 6.7115 6.9728 6.9728 7.2152 7.2152 7.3495 7.3495 8.0569 8.0569 8.6930 8.6930 9.0726 9.0726 9.2029 9.2029 12.2875 12.2875 14.6704 14.6704 14.9998 14.9998 15.3157 15.3157 k =-0.2782 0.8286 0.1358 ( 2485 PWs) bands (ev): -5.8258 -5.8258 -5.6707 -5.6707 2.8626 2.8626 3.4671 3.4671 3.9246 3.9246 4.4314 4.4314 4.5490 4.5490 5.2940 5.2940 5.6159 5.6159 6.3564 6.3564 6.6976 6.6976 6.9553 6.9553 7.2189 7.2189 7.3468 7.3468 8.0276 8.0276 8.6698 8.6698 9.0289 9.0289 9.1883 9.1883 12.3308 12.3308 14.6224 14.6224 15.0146 15.0146 15.3129 15.3129 k =-0.2782 0.8286 0.1528 ( 2487 PWs) bands (ev): -5.8245 -5.8245 -5.6716 -5.6716 2.8845 2.8845 3.4640 3.4640 3.9462 3.9462 4.4387 4.4387 4.5570 4.5570 5.3011 5.3011 5.6315 5.6315 6.3436 6.3436 6.6820 6.6820 6.9373 6.9373 7.2220 7.2220 7.3437 7.3437 7.9955 7.9955 8.6434 8.6434 8.9813 8.9813 9.1719 9.1719 12.3780 12.3780 14.5443 14.5443 15.0638 15.0638 15.3073 15.3073 k =-0.2782 0.8286 0.1698 ( 2481 PWs) bands (ev): -5.8231 -5.8231 -5.6725 -5.6725 2.9087 2.9087 3.4615 3.4615 3.9692 3.9692 4.4473 4.4473 4.5650 4.5650 5.3090 5.3090 5.6483 5.6483 6.3299 6.3299 6.6652 6.6652 6.9189 6.9189 7.2244 7.2244 7.3403 7.3403 7.9609 7.9609 8.6134 8.6134 8.9306 8.9306 9.1537 9.1537 12.4285 12.4285 14.4512 14.4512 15.1321 15.1321 15.2996 15.2996 k =-0.2782 0.8286 0.1868 ( 2480 PWs) bands (ev): -5.8215 -5.8215 -5.6735 -5.6735 2.9352 2.9352 3.4598 3.4598 3.9934 3.9934 4.4573 4.4573 4.5730 4.5730 5.3177 5.3177 5.6660 5.6660 6.3153 6.3153 6.6471 6.6471 6.9003 6.9003 7.2262 7.2262 7.3364 7.3364 7.9242 7.9242 8.5797 8.5797 8.8776 8.8776 9.1337 9.1337 12.4817 12.4817 14.3517 14.3517 15.2060 15.2060 15.2953 15.2953 k =-0.2782 0.8286 0.2037 ( 2478 PWs) bands (ev): -5.8197 -5.8197 -5.6746 -5.6746 2.9640 2.9640 3.4590 3.4590 4.0186 4.0186 4.4685 4.4685 4.5806 4.5806 5.3271 5.3271 5.6843 5.6843 6.3002 6.3002 6.6283 6.6283 6.8815 6.8815 7.2272 7.2272 7.3320 7.3320 7.8857 7.8857 8.5420 8.5420 8.8232 8.8232 9.1119 9.1119 12.5367 12.5367 14.2500 14.2500 15.2422 15.2422 15.3340 15.3340 k =-0.2782 0.8286 0.2207 ( 2476 PWs) bands (ev): -5.8179 -5.8179 -5.6758 -5.6758 2.9950 2.9950 3.4593 3.4593 4.0447 4.0447 4.4812 4.4812 4.5877 4.5877 5.3374 5.3374 5.7028 5.7028 6.2848 6.2848 6.6089 6.6089 6.8626 6.8626 7.2274 7.2274 7.3272 7.3272 7.8457 7.8457 8.5000 8.5000 8.7684 8.7684 9.0883 9.0883 12.5929 12.5929 14.1483 14.1483 15.2317 15.2317 15.4232 15.4232 k =-0.2782 0.8286 0.2377 ( 2470 PWs) bands (ev): -5.8159 -5.8159 -5.6771 -5.6771 3.0281 3.0281 3.4606 3.4606 4.0715 4.0715 4.4950 4.4950 4.5943 4.5943 5.3483 5.3483 5.7211 5.7211 6.2696 6.2696 6.5895 6.5895 6.8437 6.8437 7.2268 7.2268 7.3218 7.3218 7.8048 7.8048 8.4533 8.4533 8.7142 8.7142 9.0629 9.0629 12.6492 12.6492 14.0480 14.0480 15.2119 15.2119 15.5249 15.5249 k =-0.2782 0.8286 0.2547 ( 2470 PWs) bands (ev): -5.8137 -5.8137 -5.6785 -5.6785 3.0632 3.0632 3.4631 3.4631 4.0988 4.0988 4.5099 4.5099 4.6004 4.6004 5.3600 5.3600 5.7388 5.7388 6.2548 6.2548 6.5704 6.5704 6.8247 6.8247 7.2252 7.2252 7.3159 7.3159 7.7631 7.7631 8.4018 8.4018 8.6612 8.6612 9.0357 9.0357 12.7048 12.7048 13.9501 13.9501 15.1900 15.1900 15.6321 15.6321 k =-0.2782 0.8286 0.2717 ( 2462 PWs) bands (ev): -5.8115 -5.8115 -5.6800 -5.6800 3.1002 3.1002 3.4669 3.4669 4.1263 4.1263 4.5253 4.5253 4.6062 4.6062 5.3723 5.3723 5.7553 5.7553 6.2407 6.2407 6.5521 6.5521 6.8058 6.8058 7.2225 7.2225 7.3094 7.3094 7.7213 7.7213 8.3455 8.3455 8.6101 8.6101 9.0067 9.0067 12.7587 12.7587 13.8553 13.8553 15.1687 15.1687 15.7426 15.7426 k =-0.2782 0.8286 0.2886 ( 2462 PWs) bands (ev): -5.8091 -5.8091 -5.6816 -5.6816 3.1389 3.1389 3.4720 3.4720 4.1541 4.1541 4.5402 4.5402 4.6126 4.6126 5.3853 5.3853 5.7702 5.7702 6.2277 6.2277 6.5351 6.5351 6.7870 6.7870 7.2186 7.2186 7.3022 7.3022 7.6798 7.6798 8.2850 8.2850 8.5610 8.5610 8.9761 8.9761 12.8098 12.8098 13.7640 13.7640 15.1498 15.1498 15.8551 15.8551 k =-0.2782 0.8286 0.3056 ( 2464 PWs) bands (ev): -5.8066 -5.8066 -5.6833 -5.6833 3.1793 3.1793 3.4784 3.4784 4.1817 4.1817 4.5527 4.5527 4.6213 4.6213 5.3988 5.3988 5.7830 5.7830 6.2160 6.2160 6.5199 6.5199 6.7682 6.7682 7.2135 7.2135 7.2941 7.2941 7.6389 7.6389 8.2208 8.2208 8.5141 8.5141 8.9437 8.9437 12.8573 12.8573 13.6767 13.6767 15.1352 15.1352 15.9683 15.9683 k =-0.2782 0.8286 0.3226 ( 2466 PWs) bands (ev): -5.8041 -5.8041 -5.6851 -5.6851 3.2211 3.2211 3.4862 3.4862 4.2090 4.2090 4.5606 4.5606 4.6344 4.6344 5.4128 5.4128 5.7931 5.7931 6.2056 6.2056 6.5072 6.5072 6.7497 6.7497 7.2068 7.2068 7.2849 7.2849 7.5995 7.5995 8.1538 8.1538 8.4692 8.4692 8.9098 8.9098 12.9000 12.9000 13.5936 13.5936 15.1266 15.1266 16.0811 16.0811 k =-0.2782 0.8286 0.3396 ( 2468 PWs) bands (ev): -5.8014 -5.8014 -5.6871 -5.6871 3.2643 3.2643 3.4953 3.4953 4.2359 4.2359 4.5626 4.5626 4.6530 4.6530 5.4273 5.4273 5.8004 5.8004 6.1965 6.1965 6.4972 6.4972 6.7316 6.7316 7.1986 7.1986 7.2744 7.2744 7.5621 7.5621 8.0847 8.0847 8.4260 8.4260 8.8744 8.8744 12.9373 12.9373 13.5149 13.5149 15.1253 15.1253 16.1922 16.1922 k =-0.2782 0.8286 0.3565 ( 2466 PWs) bands (ev): -5.7986 -5.7986 -5.6891 -5.6891 3.3086 3.3086 3.5059 3.5059 4.2620 4.2620 4.5595 4.5595 4.6764 4.6764 5.4421 5.4421 5.8047 5.8047 6.1884 6.1884 6.4903 6.4903 6.7141 6.7141 7.1888 7.1888 7.2620 7.2620 7.5276 7.5276 8.0146 8.0146 8.3847 8.3847 8.8376 8.8376 12.9683 12.9683 13.4409 13.4409 15.1326 15.1326 16.3003 16.3003 k =-0.2782 0.8286 0.3735 ( 2472 PWs) bands (ev): -5.7957 -5.7957 -5.6912 -5.6912 3.3539 3.3539 3.5179 3.5179 4.2870 4.2870 4.5522 4.5522 4.7034 4.7034 5.4572 5.4572 5.8061 5.8061 6.1809 6.1809 6.4865 6.4865 6.6975 6.6975 7.1772 7.1772 7.2475 7.2475 7.4965 7.4965 7.9442 7.9442 8.3450 8.3450 8.7996 8.7996 12.9926 12.9926 13.3716 13.3716 15.1493 15.1493 16.4038 16.4038 k =-0.2782 0.8286 0.3905 ( 2472 PWs) bands (ev): -5.7928 -5.7928 -5.6934 -5.6934 3.3998 3.3998 3.5313 3.5313 4.3107 4.3107 4.5417 4.5417 4.7334 4.7334 5.4723 5.4723 5.8049 5.8049 6.1738 6.1738 6.4858 6.4858 6.6820 6.6820 7.1637 7.1637 7.2304 7.2304 7.4696 7.4696 7.8743 7.8743 8.3070 8.3070 8.7604 8.7604 13.0102 13.0102 13.3072 13.3072 15.1759 15.1759 16.5015 16.5015 k =-0.2782 0.8286 0.4075 ( 2470 PWs) bands (ev): -5.7897 -5.7897 -5.6957 -5.6957 3.4462 3.4462 3.5461 3.5461 4.3328 4.3328 4.5284 4.5284 4.7658 4.7658 5.4874 5.4874 5.8014 5.8014 6.1665 6.1665 6.4873 6.4873 6.6682 6.6682 7.1484 7.1484 7.2111 7.2111 7.4471 7.4471 7.8058 7.8058 8.2707 8.2707 8.7202 8.7202 13.0210 13.0210 13.2476 13.2476 15.2124 15.2124 16.5916 16.5916 k =-0.2782 0.8286 0.4245 ( 2472 PWs) bands (ev): -5.7866 -5.7866 -5.6981 -5.6981 3.4926 3.4926 3.5623 3.5623 4.3529 4.3529 4.5129 4.5129 4.8004 4.8004 5.5020 5.5020 5.7963 5.7963 6.1588 6.1588 6.4904 6.4904 6.6564 6.6564 7.1311 7.1311 7.1902 7.1902 7.4289 7.4289 7.7393 7.7393 8.2364 8.2364 8.6793 8.6793 13.0254 13.0254 13.1930 13.1930 15.2587 15.2587 16.6726 16.6726 k =-0.2782 0.8286 0.4414 ( 2471 PWs) bands (ev): -5.7835 -5.7835 -5.7006 -5.7006 3.5386 3.5386 3.5802 3.5802 4.3705 4.3705 4.4956 4.4956 4.8371 4.8371 5.5159 5.5159 5.7903 5.7903 6.1503 6.1503 6.4940 6.4940 6.6469 6.6469 7.1116 7.1116 7.1688 7.1688 7.4143 7.4143 7.6758 7.6758 8.2042 8.2042 8.6378 8.6378 13.0241 13.0241 13.1434 13.1434 15.3142 15.3142 16.7430 16.7430 k =-0.2782 0.8286 0.4584 ( 2477 PWs) bands (ev): -5.7803 -5.7803 -5.7031 -5.7031 3.5826 3.5826 3.6007 3.6007 4.3851 4.3851 4.4772 4.4772 4.8755 4.8755 5.5286 5.5286 5.7840 5.7840 6.1408 6.1408 6.4972 6.4972 6.6399 6.6399 7.0896 7.0896 7.1484 7.1484 7.4027 7.4027 7.6159 7.6159 8.1741 8.1741 8.5961 8.5961 13.0175 13.0175 13.0990 13.0990 15.3781 15.3781 16.8016 16.8016 k =-0.2782 0.8286 0.4754 ( 2482 PWs) bands (ev): -5.7770 -5.7770 -5.7058 -5.7058 3.6145 3.6145 3.6335 3.6335 4.3957 4.3957 4.4589 4.4589 4.9157 4.9157 5.5395 5.5395 5.7784 5.7784 6.1298 6.1298 6.4993 6.4993 6.6352 6.6352 7.0654 7.0654 7.1301 7.1301 7.3932 7.3932 7.5607 7.5607 8.1465 8.1465 8.5543 8.5543 13.0060 13.0060 13.0603 13.0603 15.4495 15.4495 16.8472 16.8472 k =-0.2782 0.8286 0.4924 ( 2482 PWs) bands (ev): -5.7737 -5.7737 -5.7086 -5.7086 3.6369 3.6369 3.6753 3.6753 4.3999 4.3999 4.4435 4.4435 4.9574 4.9574 5.5478 5.5478 5.7744 5.7744 6.1173 6.1173 6.5002 6.5002 6.6323 6.6323 7.0398 7.0398 7.1146 7.1146 7.3850 7.3850 7.5109 7.5109 8.1214 8.1214 8.5129 8.5129 12.9898 12.9898 13.0280 13.0280 15.5275 15.5275 16.8791 16.8791 k =-0.2782 0.8286 0.5094 ( 2480 PWs) bands (ev): -5.7703 -5.7703 -5.7114 -5.7114 3.6591 3.6591 3.7162 3.7162 4.3940 4.3940 4.4350 4.4350 5.0004 5.0004 5.5527 5.5527 5.7730 5.7730 6.1028 6.1028 6.5001 6.5001 6.6302 6.6302 7.0135 7.0135 7.1017 7.1017 7.3772 7.3772 7.4676 7.4676 8.0991 8.0991 8.4722 8.4722 12.9693 12.9693 13.0023 13.0023 15.6110 15.6110 16.8967 16.8967 k =-0.2782 0.8286 0.5263 ( 2482 PWs) bands (ev): -5.7670 -5.7670 -5.7143 -5.7143 3.6819 3.6819 3.7544 3.7544 4.3800 4.3800 4.4321 4.4321 5.0445 5.0445 5.5534 5.5534 5.7749 5.7749 6.0863 6.0863 6.4990 6.4990 6.6285 6.6285 6.9877 6.9877 7.0910 7.0910 7.3687 7.3687 7.4322 7.4322 8.0796 8.0796 8.4327 8.4327 12.9472 12.9472 12.9813 12.9813 15.6990 15.6990 16.9000 16.9000 k =-0.2782 0.8286 0.5433 ( 2480 PWs) bands (ev): -5.7636 -5.7636 -5.7172 -5.7172 3.7052 3.7052 3.7889 3.7889 4.3641 4.3641 4.4295 4.4295 5.0893 5.0893 5.5493 5.5493 5.7806 5.7806 6.0676 6.0676 6.4973 6.4973 6.6267 6.6267 6.9636 6.9636 7.0818 7.0818 7.3583 7.3583 7.4061 7.4061 8.0630 8.0630 8.3950 8.3950 12.9266 12.9266 12.9626 12.9626 15.7905 15.7905 16.8889 16.8889 k =-0.2782 0.8286 0.5603 ( 2480 PWs) bands (ev): -5.7601 -5.7601 -5.7203 -5.7203 3.7288 3.7288 3.8186 3.8186 4.3496 4.3496 4.4249 4.4249 5.1345 5.1345 5.5403 5.5403 5.7900 5.7900 6.0471 6.0471 6.4948 6.4948 6.6249 6.6249 6.9419 6.9419 7.0730 7.0730 7.3464 7.3464 7.3891 7.3891 8.0494 8.0494 8.3597 8.3597 12.9088 12.9088 12.9453 12.9453 15.8844 15.8844 16.8641 16.8641 k =-0.2782 0.8286 0.5773 ( 2478 PWs) bands (ev): -5.7567 -5.7567 -5.7234 -5.7234 3.7526 3.7526 3.8424 3.8424 4.3385 4.3385 4.4177 4.4177 5.1797 5.1797 5.5265 5.5265 5.8027 5.8027 6.0248 6.0248 6.4919 6.4919 6.6233 6.6233 6.9236 6.9236 7.0641 7.0641 7.3360 7.3360 7.3780 7.3780 8.0388 8.0388 8.3274 8.3274 12.8944 12.8944 12.9294 12.9294 15.9797 15.9797 16.8265 16.8265 k =-0.2782 0.8286 0.5942 ( 2482 PWs) bands (ev): -5.7533 -5.7533 -5.7265 -5.7265 3.7760 3.7760 3.8592 3.8592 4.3319 4.3319 4.4079 4.4079 5.2244 5.2244 5.5081 5.5081 5.8183 5.8183 6.0013 6.0013 6.4885 6.4885 6.6218 6.6218 6.9090 6.9090 7.0546 7.0546 7.3296 7.3296 7.3696 7.3696 8.0309 8.0309 8.2990 8.2990 12.8834 12.8834 12.9150 12.9150 16.0750 16.0750 16.7774 16.7774 k =-0.2782 0.8286 0.6112 ( 2482 PWs) bands (ev): -5.7499 -5.7499 -5.7298 -5.7298 3.7985 3.7985 3.8685 3.8685 4.3305 4.3305 4.3960 4.3960 5.2679 5.2679 5.4856 5.4856 5.8362 5.8362 5.9772 5.9772 6.4852 6.4852 6.6207 6.6207 6.8984 6.8984 7.0454 7.0454 7.3278 7.3278 7.3621 7.3621 8.0254 8.0254 8.2754 8.2754 12.8759 12.8759 12.9026 12.9026 16.1688 16.1688 16.7189 16.7189 k =-0.2782 0.8286 0.6282 ( 2484 PWs) bands (ev): -5.7465 -5.7465 -5.7330 -5.7330 3.8197 3.8197 3.8703 3.8703 4.3343 4.3343 4.3827 4.3827 5.3096 5.3096 5.4593 5.4593 5.8557 5.8557 5.9529 5.9529 6.4824 6.4824 6.6199 6.6199 6.8915 6.8915 7.0373 7.0373 7.3297 7.3297 7.3549 7.3549 8.0221 8.0221 8.2575 8.2575 12.8715 12.8715 12.8926 12.8926 16.2579 16.2579 16.6544 16.6544 k =-0.2782 0.8286 0.6452 ( 2482 PWs) bands (ev): -5.7431 -5.7431 -5.7363 -5.7363 3.8385 3.8385 3.8651 3.8651 4.3424 4.3424 4.3690 4.3690 5.3475 5.3475 5.4307 5.4307 5.8759 5.8759 5.9299 5.9299 6.4805 6.4805 6.6194 6.6194 6.8878 6.8878 7.0318 7.0318 7.3343 7.3343 7.3479 7.3479 8.0203 8.0203 8.2464 8.2464 12.8696 12.8696 12.8858 12.8858 16.3349 16.3349 16.5921 16.5921 k =-0.2782 0.8286 0.6622 ( 2478 PWs) bands (ev): -5.7403 -5.7403 -5.7391 -5.7391 3.8528 3.8528 3.8553 3.8553 4.3505 4.3505 4.3590 4.3590 5.3703 5.3703 5.4111 5.4111 5.8892 5.8892 5.9156 5.9156 6.4799 6.4799 6.6193 6.6193 6.8866 6.8866 7.0298 7.0298 7.3389 7.3389 7.3425 7.3425 8.0198 8.0198 8.2426 8.2426 12.8693 12.8693 12.8832 12.8832 16.3722 16.3722 16.5596 16.5596 k =-0.2782 0.8286 0.6622 ( 2478 PWs) bands (ev): -5.7403 -5.7403 -5.7391 -5.7391 3.8528 3.8528 3.8553 3.8553 4.3505 4.3505 4.3590 4.3590 5.3703 5.3703 5.4111 5.4111 5.8892 5.8892 5.9156 5.9156 6.4799 6.4799 6.6193 6.6193 6.8866 6.8866 7.0298 7.0298 7.3389 7.3389 7.3425 7.3425 8.0198 8.0198 8.2426 8.2426 12.8693 12.8693 12.8832 12.8832 16.3722 16.3722 16.5596 16.5596 k =-0.2835 0.8128 0.6622 ( 2482 PWs) bands (ev): -5.7432 -5.7432 -5.7420 -5.7420 3.8562 3.8562 3.8569 3.8569 4.3277 4.3277 4.3375 4.3375 5.3548 5.3548 5.4062 5.4062 5.8980 5.8980 5.9171 5.9171 6.4631 6.4631 6.6088 6.6088 6.8928 6.8928 7.0285 7.0285 7.3573 7.3573 7.3622 7.3622 8.0540 8.0540 8.2758 8.2758 12.9171 12.9171 12.9315 12.9315 16.3340 16.3340 16.5212 16.5212 k =-0.2887 0.7971 0.6622 ( 2478 PWs) bands (ev): -5.7468 -5.7468 -5.7455 -5.7455 3.8536 3.8536 3.8577 3.8577 4.3085 4.3085 4.3200 4.3200 5.3387 5.3387 5.4007 5.4007 5.9064 5.9064 5.9173 5.9173 6.4472 6.4472 6.5981 6.5981 6.9004 6.9004 7.0277 7.0277 7.3768 7.3768 7.3836 7.3836 8.0890 8.0890 8.3096 8.3096 12.9684 12.9684 12.9833 12.9833 16.2938 16.2938 16.4803 16.4803 k =-0.2940 0.7814 0.6622 ( 2478 PWs) bands (ev): -5.7509 -5.7509 -5.7495 -5.7495 3.8467 3.8467 3.8542 3.8542 4.2941 4.2941 4.3072 4.3072 5.3221 5.3221 5.3943 5.3943 5.9145 5.9145 5.9162 5.9162 6.4324 6.4324 6.5875 6.5875 6.9091 6.9091 7.0275 7.0275 7.3974 7.3974 7.4065 7.4065 8.1245 8.1245 8.3436 8.3436 13.0230 13.0230 13.0386 13.0386 16.2516 16.2516 16.4370 16.4370 k =-0.2993 0.7656 0.6622 ( 2482 PWs) bands (ev): -5.7556 -5.7556 -5.7542 -5.7542 3.8347 3.8347 3.8453 3.8453 4.2853 4.2853 4.2999 4.2999 5.3050 5.3050 5.3871 5.3871 5.9143 5.9143 5.9222 5.9222 6.4190 6.4190 6.5772 6.5772 6.9188 6.9188 7.0279 7.0279 7.4191 7.4191 7.4307 7.4307 8.1602 8.1602 8.3774 8.3774 13.0808 13.0808 13.0970 13.0970 16.2073 16.2073 16.3912 16.3912 k =-0.3046 0.7499 0.6622 ( 2476 PWs) bands (ev): -5.7608 -5.7608 -5.7594 -5.7594 3.8174 3.8174 3.8307 3.8307 4.2827 4.2827 4.2985 4.2985 5.2877 5.2877 5.3790 5.3790 5.9117 5.9117 5.9295 5.9295 6.4071 6.4071 6.5675 6.5675 6.9294 6.9294 7.0290 7.0290 7.4421 7.4421 7.4563 7.4563 8.1958 8.1958 8.4110 8.4110 13.1414 13.1414 13.1584 13.1584 16.1611 16.1611 16.3431 16.3431 k =-0.3099 0.7342 0.6622 ( 2480 PWs) bands (ev): -5.7665 -5.7665 -5.7651 -5.7651 3.7949 3.7949 3.8102 3.8102 4.2862 4.2862 4.3026 4.3026 5.2702 5.2702 5.3700 5.3700 5.9086 5.9086 5.9364 5.9364 6.3967 6.3967 6.5585 6.5585 6.9407 6.9407 7.0307 7.0307 7.4662 7.4662 7.4830 7.4830 8.2311 8.2311 8.4439 8.4439 13.2046 13.2046 13.2226 13.2226 16.1132 16.1132 16.2931 16.2931 k =-0.3151 0.7184 0.6622 ( 2480 PWs) bands (ev): -5.7727 -5.7727 -5.7713 -5.7713 3.7678 3.7678 3.7844 3.7844 4.2954 4.2954 4.3118 4.3118 5.2528 5.2528 5.3600 5.3600 5.9055 5.9055 5.9429 5.9429 6.3878 6.3878 6.5503 6.5503 6.9527 6.9527 7.0332 7.0332 7.4916 7.4916 7.5110 7.5110 8.2659 8.2659 8.4762 8.4762 13.2702 13.2702 13.2892 13.2892 16.0638 16.0638 16.2414 16.2414 k =-0.3204 0.7027 0.6622 ( 2480 PWs) bands (ev): -5.7794 -5.7794 -5.7779 -5.7779 3.7366 3.7366 3.7541 3.7541 4.3093 4.3093 4.3253 4.3253 5.2354 5.2354 5.3491 5.3491 5.9027 5.9027 5.9490 5.9490 6.3804 6.3804 6.5432 6.5432 6.9652 6.9652 7.0362 7.0362 7.5183 7.5183 7.5402 7.5402 8.3000 8.3000 8.5074 8.5074 13.3375 13.3375 13.3578 13.3578 16.0132 16.0132 16.1885 16.1885 k =-0.3257 0.6870 0.6622 ( 2476 PWs) bands (ev): -5.7864 -5.7864 -5.7849 -5.7849 3.7023 3.7023 3.7201 3.7201 4.3272 4.3272 4.3424 4.3424 5.2182 5.2182 5.3373 5.3373 5.9003 5.9003 5.9548 5.9548 6.3744 6.3744 6.5371 6.5371 6.9781 6.9781 7.0398 7.0398 7.5465 7.5465 7.5706 7.5706 8.3332 8.3332 8.5376 8.5376 13.4063 13.4063 13.4281 13.4281 15.9619 15.9619 16.1349 16.1349 k =-0.3310 0.6713 0.6622 ( 2480 PWs) bands (ev): -5.7938 -5.7938 -5.7923 -5.7923 3.6654 3.6654 3.6833 3.6833 4.3482 4.3482 4.3623 4.3623 5.2012 5.2012 5.3245 5.3245 5.8988 5.8988 5.9602 5.9602 6.3696 6.3696 6.5321 6.5321 6.9913 6.9913 7.0439 7.0439 7.5761 7.5761 7.6023 7.6023 8.3654 8.3654 8.5666 8.5666 13.4759 13.4759 13.4993 13.4993 15.9104 15.9104 16.0813 16.0813 k =-0.3363 0.6555 0.6622 ( 2476 PWs) bands (ev): -5.8016 -5.8016 -5.8000 -5.8000 3.6265 3.6265 3.6443 3.6443 4.3715 4.3715 4.3844 4.3844 5.1846 5.1846 5.3109 5.3109 5.8982 5.8982 5.9653 5.9653 6.3660 6.3660 6.5283 6.5283 7.0048 7.0048 7.0486 7.0486 7.6073 7.6073 7.6353 7.6353 8.3964 8.3964 8.5943 8.5943 13.5457 13.5457 13.5710 13.5710 15.8595 15.8595 16.0283 16.0283 k =-0.3416 0.6398 0.6622 ( 2476 PWs) bands (ev): -5.8096 -5.8096 -5.8080 -5.8080 3.5863 3.5863 3.6038 3.6038 4.3965 4.3965 4.4080 4.4080 5.1682 5.1682 5.2965 5.2965 5.8986 5.8986 5.9700 5.9700 6.3635 6.3635 6.5258 6.5258 7.0184 7.0184 7.0537 7.0537 7.6401 7.6401 7.6697 7.6697 8.4263 8.4263 8.6206 8.6206 13.6147 13.6147 13.6421 13.6421 15.8098 15.8098 15.9769 15.9769 k =-0.3468 0.6241 0.6622 ( 2472 PWs) bands (ev): -5.8178 -5.8178 -5.8163 -5.8163 3.5452 3.5452 3.5622 3.5622 4.4227 4.4227 4.4329 4.4329 5.1523 5.1523 5.2813 5.2813 5.9002 5.9002 5.9745 5.9745 6.3622 6.3622 6.5244 6.5244 7.0320 7.0320 7.0592 7.0592 7.6747 7.6747 7.7055 7.7055 8.4549 8.4549 8.6454 8.6454 13.6820 13.6820 13.7118 13.7118 15.7625 15.7625 15.9281 15.9281 k =-0.3521 0.6083 0.6622 ( 2480 PWs) bands (ev): -5.8263 -5.8263 -5.8247 -5.8247 3.5034 3.5034 3.5198 3.5198 4.4497 4.4497 4.4585 4.4585 5.1368 5.1368 5.2656 5.2656 5.9028 5.9028 5.9785 5.9785 6.3618 6.3618 6.5243 6.5243 7.0455 7.0455 7.0651 7.0651 7.7110 7.7110 7.7428 7.7428 8.4822 8.4822 8.6687 8.6687 13.7465 13.7465 13.7789 13.7789 15.7186 15.7186 15.8831 15.8831 k =-0.3574 0.5926 0.6622 ( 2480 PWs) bands (ev): -5.8349 -5.8349 -5.8333 -5.8333 3.4613 3.4613 3.4772 3.4772 4.4771 4.4771 4.4845 4.4845 5.1218 5.1218 5.2494 5.2494 5.9064 5.9064 5.9823 5.9823 6.3625 6.3625 6.5255 6.5255 7.0589 7.0589 7.0712 7.0712 7.7493 7.7493 7.7817 7.7817 8.5081 8.5081 8.6905 8.6905 13.8068 13.8068 13.8418 13.8418 15.6797 15.6797 15.8431 15.8431 k =-0.3627 0.5769 0.6622 ( 2476 PWs) bands (ev): -5.8436 -5.8436 -5.8421 -5.8421 3.4192 3.4192 3.4344 3.4344 4.5045 4.5045 4.5106 4.5106 5.1073 5.1073 5.2328 5.2328 5.9109 5.9109 5.9857 5.9857 6.3644 6.3644 6.5278 6.5278 7.0721 7.0721 7.0777 7.0777 7.7894 7.7894 7.8222 7.8222 8.5327 8.5327 8.7107 8.7107 13.8613 13.8613 13.8989 13.8989 15.6473 15.6473 15.8098 15.8098 k =-0.3680 0.5611 0.6622 ( 2472 PWs) bands (ev): -5.8524 -5.8524 -5.8509 -5.8509 3.3773 3.3773 3.3919 3.3919 4.5317 4.5317 4.5366 4.5366 5.0934 5.0934 5.2160 5.2160 5.9161 5.9161 5.9887 5.9887 6.3674 6.3674 6.5314 6.5314 7.0845 7.0845 7.0850 7.0850 7.8315 7.8315 7.8644 7.8644 8.5559 8.5559 8.7294 8.7294 13.9085 13.9085 13.9483 13.9483 15.6233 15.6233 15.7846 15.7846 k =-0.3732 0.5454 0.6622 ( 2464 PWs) bands (ev): -5.8612 -5.8612 -5.8598 -5.8598 3.3359 3.3359 3.3497 3.3497 4.5585 4.5585 4.5622 4.5622 5.0800 5.0800 5.1991 5.1991 5.9219 5.9219 5.9914 5.9914 6.3716 6.3716 6.5361 6.5361 7.0913 7.0913 7.0975 7.0975 7.8756 7.8756 7.9084 7.9084 8.5777 8.5777 8.7466 8.7466 13.9466 13.9466 13.9882 13.9882 15.6096 15.6096 15.7694 15.7694 k =-0.3785 0.5297 0.6622 ( 2464 PWs) bands (ev): -5.8701 -5.8701 -5.8686 -5.8686 3.2950 3.2950 3.3082 3.3082 4.5846 4.5846 4.5874 4.5874 5.0673 5.0673 5.1822 5.1822 5.9279 5.9279 5.9937 5.9937 6.3770 6.3770 6.5419 6.5419 7.0983 7.0983 7.1096 7.1096 7.9216 7.9216 7.9540 7.9540 8.5982 8.5982 8.7623 8.7623 13.9741 13.9741 14.0167 14.0167 15.6078 15.6078 15.7654 15.7654 k =-0.3838 0.5139 0.6622 ( 2472 PWs) bands (ev): -5.8789 -5.8789 -5.8774 -5.8774 3.2549 3.2549 3.2674 3.2674 4.6099 4.6099 4.6118 4.6118 5.0551 5.0551 5.1655 5.1655 5.9342 5.9342 5.9956 5.9956 6.3835 6.3835 6.5485 6.5485 7.1053 7.1053 7.1211 7.1211 7.9695 7.9695 8.0012 8.0012 8.6173 8.6173 8.7765 8.7765 13.9899 13.9899 14.0325 14.0325 15.6192 15.6192 15.7738 15.7738 k =-0.3891 0.4982 0.6622 ( 2476 PWs) bands (ev): -5.8876 -5.8876 -5.8862 -5.8862 3.2157 3.2157 3.2275 3.2275 4.6341 4.6341 4.6353 4.6353 5.0437 5.0437 5.1490 5.1490 5.9403 5.9403 5.9971 5.9971 6.3914 6.3914 6.5560 6.5560 7.1124 7.1124 7.1322 7.1322 8.0192 8.0192 8.0501 8.0501 8.6352 8.6352 8.7893 8.7893 13.9934 13.9934 14.0350 14.0350 15.6445 15.6445 15.7951 15.7951 k =-0.3944 0.4825 0.6622 ( 2476 PWs) bands (ev): -5.8961 -5.8961 -5.8948 -5.8948 3.1776 3.1776 3.1887 3.1887 4.6571 4.6571 4.6579 4.6579 5.0331 5.0331 5.1329 5.1329 5.9463 5.9463 5.9982 5.9982 6.4006 6.4006 6.5642 6.5642 7.1195 7.1195 7.1426 7.1426 8.0706 8.0706 8.1006 8.1006 8.6519 8.6519 8.8007 8.8007 13.9847 13.9847 14.0243 14.0243 15.6834 15.6834 15.8292 15.8292 k =-0.3997 0.4668 0.6622 ( 2468 PWs) bands (ev): -5.9045 -5.9045 -5.9032 -5.9032 3.1406 3.1406 3.1511 3.1511 4.6789 4.6789 4.6794 4.6794 5.0233 5.0233 5.1173 5.1173 5.9520 5.9520 5.9990 5.9990 6.4110 6.4110 6.5731 6.5731 7.1265 7.1265 7.1525 7.1525 8.1237 8.1237 8.1526 8.1526 8.6674 8.6674 8.8109 8.8109 13.9643 13.9643 14.0013 14.0013 15.7349 15.7349 15.8754 15.8754 k =-0.4049 0.4510 0.6622 ( 2472 PWs) bands (ev): -5.9127 -5.9127 -5.9115 -5.9115 3.1049 3.1049 3.1147 3.1147 4.6991 4.6991 4.6997 4.6997 5.0143 5.0143 5.1022 5.1022 5.9572 5.9572 5.9995 5.9995 6.4225 6.4225 6.5824 6.5824 7.1334 7.1334 7.1618 7.1618 8.1780 8.1780 8.2058 8.2058 8.6818 8.6818 8.8198 8.8198 13.9335 13.9335 13.9675 13.9675 15.7976 15.7976 15.9324 15.9324 k =-0.4102 0.4353 0.6622 ( 2462 PWs) bands (ev): -5.9207 -5.9207 -5.9195 -5.9195 3.0707 3.0707 3.0798 3.0798 4.7179 4.7179 4.7188 4.7188 5.0064 5.0064 5.0879 5.0879 5.9618 5.9618 5.9996 5.9996 6.4352 6.4352 6.5920 6.5920 7.1403 7.1403 7.1704 7.1704 8.2334 8.2334 8.2601 8.2601 8.6952 8.6952 8.8275 8.8275 13.8937 13.8937 13.9245 13.9245 15.8698 15.8698 15.9988 15.9988 k =-0.4155 0.4196 0.6622 ( 2470 PWs) bands (ev): -5.9284 -5.9284 -5.9272 -5.9272 3.0379 3.0379 3.0464 3.0464 4.7349 4.7349 4.7364 4.7364 4.9994 4.9994 5.0743 5.0743 5.9659 5.9659 5.9993 5.9993 6.4488 6.4488 6.6017 6.6017 7.1470 7.1470 7.1784 7.1784 8.2896 8.2896 8.3151 8.3151 8.7077 8.7077 8.8342 8.8342 13.8465 13.8465 13.8742 13.8742 15.9496 15.9496 16.0728 16.0728 k =-0.4208 0.4038 0.6622 ( 2470 PWs) bands (ev): -5.9358 -5.9358 -5.9347 -5.9347 3.0068 3.0068 3.0147 3.0147 4.7502 4.7502 4.7526 4.7526 4.9936 4.9936 5.0617 5.0617 5.9694 5.9694 5.9989 5.9989 6.4632 6.4632 6.6114 6.6114 7.1534 7.1534 7.1857 7.1857 8.3462 8.3462 8.3706 8.3706 8.7194 8.7194 8.8400 8.8400 13.7934 13.7934 13.8183 13.8183 16.0352 16.0352 16.1528 16.1528 k =-0.4261 0.3881 0.6622 ( 2474 PWs) bands (ev): -5.9429 -5.9429 -5.9418 -5.9418 2.9772 2.9772 2.9845 2.9845 4.7637 4.7637 4.7673 4.7673 4.9889 4.9889 5.0501 5.0501 5.9723 5.9723 5.9982 5.9982 6.4782 6.4782 6.6208 6.6208 7.1598 7.1598 7.1923 7.1923 8.4028 8.4028 8.4262 8.4262 8.7304 8.7304 8.8449 8.8449 13.7361 13.7361 13.7583 13.7583 16.1250 16.1250 16.2371 16.2371 k =-0.4313 0.3724 0.6622 ( 2474 PWs) bands (ev): -5.9496 -5.9496 -5.9486 -5.9486 2.9495 2.9495 2.9562 2.9562 4.7754 4.7754 4.7804 4.7804 4.9854 4.9854 5.0396 5.0396 5.9747 5.9747 5.9973 5.9973 6.4936 6.4936 6.6299 6.6299 7.1658 7.1658 7.1983 7.1983 8.4589 8.4589 8.4813 8.4813 8.7408 8.7408 8.8492 8.8492 13.6758 13.6758 13.6956 13.6956 16.2176 16.2176 16.3242 16.3242 k =-0.4366 0.3566 0.6622 ( 2478 PWs) bands (ev): -5.9559 -5.9559 -5.9550 -5.9550 2.9235 2.9235 2.9297 2.9297 4.7853 4.7853 4.7919 4.7919 4.9830 4.9830 5.0303 5.0303 5.9766 5.9766 5.9963 5.9963 6.5093 6.5093 6.6385 6.6385 7.1717 7.1717 7.2036 7.2036 8.5139 8.5139 8.5354 8.5354 8.7510 8.7510 8.8531 8.8531 13.6141 13.6141 13.6317 13.6317 16.3116 16.3116 16.4127 16.4127 k =-0.4419 0.3409 0.6622 ( 2474 PWs) bands (ev): -5.9618 -5.9618 -5.9609 -5.9609 2.8995 2.8995 2.9050 2.9050 4.7935 4.7935 4.8016 4.8016 4.9818 4.9818 5.0223 5.0223 5.9782 5.9782 5.9951 5.9951 6.5251 6.5251 6.6463 6.6463 7.1774 7.1774 7.2083 7.2083 8.5671 8.5671 8.5876 8.5876 8.7613 8.7613 8.8567 8.8567 13.5520 13.5520 13.5676 13.5676 16.4056 16.4056 16.5011 16.5011 k =-0.4472 0.3252 0.6622 ( 2478 PWs) bands (ev): -5.9673 -5.9673 -5.9665 -5.9665 2.8773 2.8773 2.8823 2.8823 4.8001 4.8001 4.8097 4.8097 4.9816 4.9816 5.0155 5.0155 5.9793 5.9793 5.9939 5.9939 6.5407 6.5407 6.6533 6.6533 7.1828 7.1828 7.2123 7.2123 8.6176 8.6176 8.6368 8.6368 8.7723 8.7723 8.8605 8.8605 13.4907 13.4907 13.5046 13.5046 16.4984 16.4984 16.5880 16.5880 k =-0.4525 0.3094 0.6622 ( 2478 PWs) bands (ev): -5.9723 -5.9723 -5.9716 -5.9716 2.8571 2.8571 2.8616 2.8616 4.8054 4.8054 4.8161 4.8161 4.9822 4.9822 5.0101 5.0101 5.9802 5.9802 5.9927 5.9927 6.5561 6.5561 6.6594 6.6594 7.1879 7.1879 7.2156 7.2156 8.6644 8.6644 8.6811 8.6811 8.7855 8.7855 8.8652 8.8652 13.4314 13.4314 13.4436 13.4436 16.5887 16.5887 16.6722 16.6722 k =-0.4577 0.2937 0.6622 ( 2474 PWs) bands (ev): -5.9768 -5.9768 -5.9762 -5.9762 2.8390 2.8390 2.8430 2.8430 4.8095 4.8095 4.8209 4.8209 4.9834 4.9834 5.0059 5.0059 5.9808 5.9808 5.9914 5.9914 6.5711 6.5711 6.6645 6.6645 7.1927 7.1927 7.2184 7.2184 8.7058 8.7058 8.7174 8.7174 8.8034 8.8034 8.8716 8.8716 13.3751 13.3751 13.3857 13.3857 16.6753 16.6753 16.7520 16.7520 k =-0.4630 0.2780 0.6622 ( 2476 PWs) bands (ev): -5.9808 -5.9808 -5.9803 -5.9803 2.8229 2.8229 2.8264 2.8264 4.8127 4.8127 4.8243 4.8243 4.9851 4.9851 5.0028 5.0028 5.9813 5.9813 5.9902 5.9902 6.5853 6.5853 6.6683 6.6683 7.1973 7.1973 7.2205 7.2205 8.7401 8.7401 8.7430 8.7430 8.8279 8.8279 8.8810 8.8810 13.3227 13.3227 13.3319 13.3319 16.7569 16.7569 16.8263 16.8263 k =-0.4683 0.2623 0.6622 ( 2476 PWs) bands (ev): -5.9843 -5.9843 -5.9839 -5.9839 2.8090 2.8090 2.8119 2.8119 4.8152 4.8152 4.8264 4.8264 4.9870 4.9870 5.0006 5.0006 5.9817 5.9817 5.9890 5.9890 6.5989 6.5989 6.6709 6.6709 7.2015 7.2015 7.2220 7.2220 8.7593 8.7593 8.7656 8.7656 8.8573 8.8573 8.8943 8.8943 13.2751 13.2751 13.2830 13.2830 16.8322 16.8322 16.8935 16.8935 k =-0.4736 0.2465 0.6622 ( 2468 PWs) bands (ev): -5.9873 -5.9873 -5.9869 -5.9869 2.7972 2.7972 2.7996 2.7996 4.8172 4.8172 4.8275 4.8275 4.9890 4.9890 4.9992 4.9992 5.9821 5.9821 5.9880 5.9880 6.6116 6.6116 6.6723 6.6723 7.2055 7.2055 7.2230 7.2230 8.7700 8.7700 8.7823 8.7823 8.8870 8.8870 8.9112 8.9112 13.2334 13.2334 13.2398 13.2398 16.8997 16.8997 16.9522 16.9522 k =-0.4789 0.2308 0.6622 ( 2472 PWs) bands (ev): -5.9898 -5.9898 -5.9895 -5.9895 2.7875 2.7875 2.7894 2.7894 4.8188 4.8188 4.8277 4.8277 4.9908 4.9908 4.9983 4.9983 5.9823 5.9823 5.9869 5.9869 6.6233 6.6233 6.6723 6.6723 7.2092 7.2092 7.2234 7.2234 8.7779 8.7779 8.7918 8.7918 8.9139 8.9139 8.9293 8.9293 13.1981 13.1981 13.2033 13.2033 16.9582 16.9582 17.0012 17.0012 k =-0.4842 0.2151 0.6622 ( 2472 PWs) bands (ev): -5.9917 -5.9917 -5.9915 -5.9915 2.7800 2.7800 2.7814 2.7814 4.8203 4.8203 4.8273 4.8273 4.9925 4.9925 4.9977 4.9977 5.9826 5.9826 5.9860 5.9860 6.6339 6.6339 6.6709 6.6709 7.2124 7.2124 7.2233 7.2233 8.7840 8.7840 8.7965 8.7965 8.9362 8.9362 8.9459 8.9459 13.1701 13.1701 13.1739 13.1739 17.0064 17.0064 17.0393 17.0393 k =-0.4894 0.1993 0.6622 ( 2468 PWs) bands (ev): -5.9931 -5.9931 -5.9929 -5.9929 2.7747 2.7747 2.7757 2.7757 4.8217 4.8217 4.8265 4.8265 4.9940 4.9940 4.9973 4.9973 5.9830 5.9830 5.9852 5.9852 6.6433 6.6433 6.6681 6.6681 7.2153 7.2153 7.2226 7.2226 8.7889 8.7889 8.7980 8.7980 8.9531 8.9531 8.9587 8.9587 13.1498 13.1498 13.1523 13.1523 17.0434 17.0434 17.0656 17.0656 k =-0.4947 0.1836 0.6622 ( 2468 PWs) bands (ev): -5.9939 -5.9939 -5.9938 -5.9938 2.7716 2.7716 2.7721 2.7721 4.8230 4.8230 4.8255 4.8255 4.9952 4.9952 4.9968 4.9968 5.9834 5.9834 5.9845 5.9845 6.6515 6.6515 6.6639 6.6639 7.2178 7.2178 7.2215 7.2215 8.7928 8.7928 8.7976 8.7976 8.9638 8.9638 8.9665 8.9665 13.1377 13.1377 13.1390 13.1390 17.0681 17.0681 17.0793 17.0793 k =-0.5000 0.1679 0.6622 ( 2468 PWs) bands (ev): -5.9941 -5.9941 -5.9941 -5.9941 2.7707 2.7707 2.7707 2.7707 4.8243 4.8243 4.8243 4.8243 4.9961 4.9961 4.9961 4.9961 5.9839 5.9839 5.9839 5.9839 6.6584 6.6584 6.6584 6.6584 7.2199 7.2199 7.2199 7.2199 8.7958 8.7958 8.7958 8.7958 8.9683 8.9683 8.9683 8.9683 13.1341 13.1341 13.1341 13.1341 17.0802 17.0802 17.0802 17.0802 k =-0.5000 0.1679 0.6622 ( 2468 PWs) bands (ev): -5.9941 -5.9941 -5.9941 -5.9941 2.7707 2.7707 2.7707 2.7707 4.8243 4.8243 4.8243 4.8243 4.9961 4.9961 4.9961 4.9961 5.9839 5.9839 5.9839 5.9839 6.6584 6.6584 6.6584 6.6584 7.2199 7.2199 7.2199 7.2199 8.7958 8.7958 8.7958 8.7958 8.9683 8.9683 8.9683 8.9683 13.1341 13.1341 13.1341 13.1341 17.0802 17.0802 17.0802 17.0802 k =-0.5000 0.1679 0.6452 ( 2472 PWs) bands (ev): -5.9998 -5.9998 -5.9891 -5.9891 2.7571 2.7571 2.7883 2.7883 4.8043 4.8043 4.8445 4.8445 4.9957 4.9957 4.9987 4.9987 5.9734 5.9734 5.9933 5.9933 6.6406 6.6406 6.6760 6.6760 7.1951 7.1951 7.2443 7.2443 8.7708 8.7708 8.8177 8.8177 8.9585 8.9585 8.9739 8.9739 13.0763 13.0763 13.1962 13.1962 17.0524 17.0524 17.0915 17.0915 k =-0.5000 0.1679 0.6282 ( 2472 PWs) bands (ev): -6.0062 -6.0062 -5.9849 -5.9849 2.7473 2.7473 2.8097 2.8097 4.7845 4.7845 4.8647 4.8647 4.9975 4.9975 5.0035 5.0035 5.9619 5.9619 6.0018 6.0018 6.6226 6.6226 6.6933 6.6933 7.1702 7.1702 7.2684 7.2684 8.7431 8.7431 8.8365 8.8365 8.9446 8.9446 8.9753 8.9753 13.0230 13.0230 13.2629 13.2629 17.0090 17.0090 17.0866 17.0866 k =-0.5000 0.1679 0.6112 ( 2476 PWs) bands (ev): -6.0132 -6.0132 -5.9814 -5.9814 2.7415 2.7415 2.8348 2.8348 4.7653 4.7653 4.8846 4.8846 5.0016 5.0016 5.0106 5.0106 5.9495 5.9495 6.0091 6.0091 6.6045 6.6045 6.7102 6.7102 7.1451 7.1451 7.2922 7.2922 8.7129 8.7129 8.8518 8.8518 8.9267 8.9267 8.9728 8.9728 12.9739 12.9739 13.3340 13.3340 16.9511 16.9511 17.0666 17.0666 k =-0.5000 0.1679 0.5942 ( 2472 PWs) bands (ev): -6.0209 -6.0209 -5.9786 -5.9786 2.7397 2.7397 2.8636 2.8636 4.7466 4.7466 4.9043 4.9043 5.0079 5.0079 5.0199 5.0199 5.9363 5.9363 6.0153 6.0153 6.5864 6.5864 6.7268 6.7268 7.1200 7.1200 7.3157 7.3157 8.6802 8.6802 8.8629 8.8629 8.9051 8.9051 8.9667 8.9667 12.9288 12.9288 13.4096 13.4096 16.8805 16.8805 17.0333 17.0333 k =-0.5000 0.1679 0.5773 ( 2472 PWs) bands (ev): -6.0292 -6.0292 -5.9765 -5.9765 2.7420 2.7420 2.8959 2.8959 4.7287 4.7287 4.9235 4.9235 5.0164 5.0164 5.0314 5.0314 5.9224 5.9224 6.0203 6.0203 6.5683 6.5683 6.7428 6.7428 7.0946 7.0946 7.3386 7.3386 8.6455 8.6455 8.8658 8.8658 8.8837 8.8837 8.9572 8.9572 12.8877 12.8877 13.4895 13.4895 16.7990 16.7990 16.9889 16.9889 k =-0.5000 0.1679 0.5603 ( 2472 PWs) bands (ev): -6.0380 -6.0380 -5.9752 -5.9752 2.7482 2.7482 2.9315 2.9315 4.7117 4.7117 4.9422 4.9422 5.0271 5.0271 5.0452 5.0452 5.9079 5.9079 6.0241 6.0241 6.5503 6.5503 6.7582 6.7582 7.0693 7.0693 7.3609 7.3609 8.6089 8.6089 8.8437 8.8437 8.8786 8.8786 8.9452 8.9452 12.8503 12.8503 13.5737 13.5737 16.7084 16.7084 16.9356 16.9356 k =-0.5000 0.1679 0.5433 ( 2474 PWs) bands (ev): -6.0474 -6.0474 -5.9746 -5.9746 2.7584 2.7584 2.9702 2.9702 4.6958 4.6958 4.9603 4.9603 5.0398 5.0398 5.0611 5.0611 5.8928 5.8928 6.0267 6.0267 6.5323 6.5323 6.7728 6.7728 7.0440 7.0440 7.3826 7.3826 8.5706 8.5706 8.8103 8.8103 8.8747 8.8747 8.9320 8.9320 12.8164 12.8164 13.6620 13.6620 16.6104 16.6104 16.8753 16.8753 k =-0.5000 0.1679 0.5263 ( 2476 PWs) bands (ev): -6.0573 -6.0573 -5.9746 -5.9746 2.7725 2.7725 3.0120 3.0120 4.6812 4.6812 4.9779 4.9779 5.0545 5.0545 5.0791 5.0791 5.8773 5.8773 6.0282 6.0282 6.5145 6.5145 6.7866 6.7866 7.0187 7.0187 7.4035 7.4035 8.5311 8.5311 8.7725 8.7725 8.8642 8.8642 8.9192 8.9192 12.7857 12.7857 13.7543 13.7543 16.5066 16.5066 16.8098 16.8098 k =-0.5000 0.1679 0.5094 ( 2470 PWs) bands (ev): -6.0676 -6.0676 -5.9754 -5.9754 2.7906 2.7906 3.0564 3.0564 4.6680 4.6680 4.9951 4.9951 5.0710 5.0710 5.0991 5.0991 5.8615 5.8615 6.0284 6.0284 6.4969 6.4969 6.7994 6.7994 6.9937 6.9937 7.4235 7.4235 8.4906 8.4906 8.7309 8.7309 8.8459 8.8459 8.9076 8.9076 12.7579 12.7579 13.8501 13.8501 16.3985 16.3985 16.7405 16.7405 k =-0.5000 0.1679 0.4924 ( 2470 PWs) bands (ev): -6.0783 -6.0783 -5.9767 -5.9767 2.8124 2.8124 3.1034 3.1034 4.6564 4.6564 5.0120 5.0120 5.0892 5.0892 5.1208 5.1208 5.8455 5.8455 6.0274 6.0274 6.4795 6.4795 6.8108 6.8108 6.9691 6.9691 7.4424 7.4424 8.4495 8.4495 8.6857 8.6857 8.8210 8.8210 8.8959 8.8959 12.7327 12.7327 13.9493 13.9493 16.2876 16.2876 16.6684 16.6684 k =-0.5000 0.1679 0.4754 ( 2474 PWs) bands (ev): -6.0893 -6.0893 -5.9787 -5.9787 2.8381 2.8381 3.1525 3.1525 4.6468 4.6468 5.0286 5.0286 5.1090 5.1090 5.1443 5.1443 5.8293 5.8293 6.0251 6.0251 6.4624 6.4624 6.8203 6.8203 6.9455 6.9455 7.4601 7.4601 8.4081 8.4081 8.6373 8.6373 8.7913 8.7913 8.8825 8.8825 12.7098 12.7098 14.0514 14.0514 16.1754 16.1754 16.5948 16.5948 k =-0.5000 0.1679 0.4584 ( 2468 PWs) bands (ev): -6.1006 -6.1006 -5.9812 -5.9812 2.8675 2.8675 3.2033 3.2033 4.6393 4.6393 5.0448 5.0448 5.1303 5.1303 5.1694 5.1694 5.8133 5.8133 6.0215 6.0215 6.4456 6.4456 6.8270 6.8270 6.9238 6.9238 7.4763 7.4763 8.3669 8.3669 8.5858 8.5858 8.7580 8.7580 8.8667 8.8667 12.6889 12.6889 14.1556 14.1556 16.0633 16.0633 16.5204 16.5204 k =-0.5000 0.1679 0.4414 ( 2468 PWs) bands (ev): -6.1121 -6.1121 -5.9842 -5.9842 2.9005 2.9005 3.2555 3.2555 4.6343 4.6343 5.0606 5.0606 5.1530 5.1530 5.1961 5.1961 5.7975 5.7975 6.0167 6.0167 6.4291 6.4291 6.8289 6.8289 6.9058 6.9058 7.4908 7.4908 8.3263 8.3263 8.5314 8.5314 8.7217 8.7217 8.8477 8.8477 12.6696 12.6696 14.2612 14.2612 15.9529 15.9529 16.4459 16.4459 k =-0.5000 0.1679 0.4245 ( 2458 PWs) bands (ev): -6.1238 -6.1238 -5.9878 -5.9878 2.9370 2.9370 3.3086 3.3086 4.6322 4.6322 5.0756 5.0756 5.1773 5.1773 5.2244 5.2244 5.7820 5.7820 6.0105 6.0105 6.4131 6.4131 6.8231 6.8231 6.8944 6.8944 7.5035 7.5035 8.2868 8.2868 8.4745 8.4745 8.6830 8.6830 8.8255 8.8255 12.6516 12.6516 14.3669 14.3669 15.8464 15.8464 16.3722 16.3722 k =-0.5000 0.1679 0.4075 ( 2454 PWs) bands (ev): -6.1355 -6.1355 -5.9917 -5.9917 2.9769 2.9769 3.3621 3.3621 4.6334 4.6334 5.0898 5.0898 5.2031 5.2031 5.2542 5.2542 5.7671 5.7671 6.0029 6.0029 6.3974 6.3974 6.8090 6.8090 6.8900 6.8900 7.5140 7.5140 8.2487 8.2487 8.4153 8.4153 8.6423 8.6423 8.7998 8.7998 12.6346 12.6346 14.4705 14.4705 15.7464 15.7464 16.2998 16.2998 k =-0.5000 0.1679 0.3905 ( 2448 PWs) bands (ev): -6.1474 -6.1474 -5.9960 -5.9960 3.0201 3.0201 3.4153 3.4153 4.6382 4.6382 5.1028 5.1028 5.2303 5.2303 5.2854 5.2854 5.7529 5.7529 5.9939 5.9939 6.3822 6.3822 6.7895 6.7895 6.8897 6.8897 7.5219 7.5219 8.2123 8.2123 8.3543 8.3543 8.6001 8.6001 8.7707 8.7707 12.6182 12.6182 14.5687 14.5687 15.6566 15.6566 16.2294 16.2294 k =-0.5000 0.1679 0.3735 ( 2444 PWs) bands (ev): -6.1592 -6.1592 -6.0007 -6.0007 3.0665 3.0665 3.4676 3.4676 4.6473 4.6473 5.1146 5.1146 5.2590 5.2590 5.3178 5.3178 5.7395 5.7395 5.9833 5.9833 6.3674 6.3674 6.7674 6.7674 6.8907 6.8907 7.5272 7.5272 8.1777 8.1777 8.2919 8.2919 8.5569 8.5569 8.7381 8.7381 12.6023 12.6023 14.6558 14.6558 15.5832 15.5832 16.1614 16.1614 k =-0.5000 0.1679 0.3565 ( 2444 PWs) bands (ev): -6.1709 -6.1709 -6.0056 -6.0056 3.1158 3.1158 3.5183 3.5183 4.6610 4.6610 5.1251 5.1251 5.2891 5.2891 5.3512 5.3512 5.7275 5.7275 5.9711 5.9711 6.3531 6.3531 6.7441 6.7441 6.8913 6.8913 7.5296 7.5296 8.1439 8.1439 8.2297 8.2297 8.5129 8.5129 8.7020 8.7020 12.5864 12.5864 14.7233 14.7233 15.5351 15.5351 16.0965 16.0965 k =-0.5000 0.1679 0.3396 ( 2442 PWs) bands (ev): -6.1826 -6.1826 -6.0107 -6.0107 3.1681 3.1681 3.5667 3.5667 4.6800 4.6800 5.1340 5.1340 5.3206 5.3206 5.3852 5.3852 5.7171 5.7171 5.9575 5.9575 6.3394 6.3394 6.7205 6.7205 6.8908 6.8908 7.5290 7.5290 8.1075 8.1075 8.1716 8.1716 8.4688 8.4688 8.6626 8.6626 12.5705 12.5705 14.7607 14.7607 15.5230 15.5230 16.0352 16.0352 k =-0.5000 0.1679 0.3226 ( 2446 PWs) bands (ev): -6.1940 -6.1940 -6.0161 -6.0161 3.2230 3.2230 3.6121 3.6121 4.7046 4.7046 5.1414 5.1414 5.3531 5.3531 5.4193 5.4193 5.7087 5.7087 5.9424 5.9424 6.3262 6.3262 6.6968 6.6968 6.8888 6.8888 7.5254 7.5254 8.0596 8.0596 8.1265 8.1265 8.4251 8.4251 8.6199 8.6199 12.5543 12.5543 14.7622 14.7622 15.5524 15.5524 15.9782 15.9782 k =-0.5000 0.1679 0.3056 ( 2450 PWs) bands (ev): -6.2052 -6.2052 -6.0215 -6.0215 3.2805 3.2805 3.6539 3.6539 4.7352 4.7352 5.1471 5.1471 5.3863 5.3863 5.4526 5.4526 5.7033 5.7033 5.9261 5.9261 6.3137 6.3137 6.6732 6.6732 6.8849 6.8849 7.5189 7.5189 7.9983 7.9983 8.0966 8.0966 8.3821 8.3821 8.5743 8.5743 12.5377 12.5377 14.7322 14.7322 15.6180 15.6180 15.9269 15.9269 k =-0.5000 0.1679 0.2886 ( 2448 PWs) bands (ev): -6.2161 -6.2161 -6.0270 -6.0270 3.3403 3.3403 3.6917 3.6917 4.7719 4.7719 5.1511 5.1511 5.4199 5.4199 5.4843 5.4843 5.7018 5.7018 5.9093 5.9093 6.3019 6.3019 6.6499 6.6499 6.8790 6.8790 7.5099 7.5099 7.9306 7.9306 8.0744 8.0744 8.3407 8.3407 8.5261 8.5261 12.5206 12.5206 14.6814 14.6814 15.7042 15.7042 15.8869 15.8869 k =-0.5000 0.1679 0.2717 ( 2442 PWs) bands (ev): -6.2267 -6.2267 -6.0325 -6.0325 3.4023 3.4023 3.7253 3.7253 4.8146 4.8146 5.1534 5.1534 5.4525 5.4525 5.5134 5.5134 5.7048 5.7048 5.8930 5.8930 6.2908 6.2908 6.6271 6.6271 6.8710 6.8710 7.4986 7.4986 7.8603 7.8603 8.0559 8.0559 8.3012 8.3012 8.4758 8.4758 12.5030 12.5030 14.6193 14.6193 15.7667 15.7667 15.8930 15.8930 k =-0.5000 0.1679 0.2547 ( 2442 PWs) bands (ev): -6.2369 -6.2369 -6.0379 -6.0379 3.4662 3.4662 3.7547 3.7547 4.8630 4.8630 5.1537 5.1537 5.4820 5.4820 5.5402 5.5402 5.7121 5.7121 5.8796 5.8796 6.2804 6.2804 6.6046 6.6046 6.8605 6.8605 7.4853 7.4853 7.7889 7.7889 8.0389 8.0389 8.2643 8.2643 8.4240 8.4240 12.4849 12.4849 14.5523 14.5523 15.7555 15.7555 15.9889 15.9889 k =-0.5000 0.1679 0.2377 ( 2446 PWs) bands (ev): -6.2467 -6.2467 -6.0433 -6.0433 3.5318 3.5318 3.7798 3.7798 4.9163 4.9163 5.1520 5.1520 5.5050 5.5050 5.5668 5.5668 5.7207 5.7207 5.8734 5.8734 6.2709 6.2709 6.5826 6.5826 6.8476 6.8476 7.4702 7.4702 7.7172 7.7172 8.0219 8.0219 8.2300 8.2300 8.3720 8.3720 12.4665 12.4665 14.4843 14.4843 15.7243 15.7243 16.1171 16.1171 k =-0.5000 0.1679 0.2207 ( 2454 PWs) bands (ev): -6.2560 -6.2560 -6.0485 -6.0485 3.5986 3.5986 3.8012 3.8012 4.9738 4.9738 5.1482 5.1482 5.5193 5.5193 5.5948 5.5948 5.7259 5.7259 5.8799 5.8799 6.2623 6.2623 6.5612 6.5612 6.8320 6.8320 7.4529 7.4529 7.6463 7.6463 8.0037 8.0037 8.1978 8.1978 8.3218 8.3218 12.4478 12.4478 14.4176 14.4176 15.6925 15.6925 16.2559 16.2559 k =-0.5000 0.1679 0.2037 ( 2454 PWs) bands (ev): -6.2647 -6.2647 -6.0535 -6.0535 3.6664 3.6664 3.8193 3.8193 5.0341 5.0341 5.1419 5.1419 5.5263 5.5263 5.6211 5.6211 5.7277 5.7277 5.9017 5.9017 6.2547 6.2547 6.5403 6.5403 6.8140 6.8140 7.4322 7.4322 7.5784 7.5784 7.9832 7.9832 8.1655 8.1655 8.2766 8.2766 12.4289 12.4289 14.3536 14.3536 15.6632 15.6632 16.4005 16.4005 k =-0.5000 0.1679 0.1868 ( 2450 PWs) bands (ev): -6.2729 -6.2729 -6.0583 -6.0583 3.7343 3.7343 3.8350 3.8350 5.0958 5.0958 5.1330 5.1330 5.5285 5.5285 5.6379 5.6379 5.7352 5.7352 5.9356 5.9356 6.2484 6.2484 6.5200 6.5200 6.7932 6.7932 7.4041 7.4041 7.5179 7.5179 7.9601 7.9601 8.1300 8.1300 8.2408 8.2408 12.4103 12.4103 14.2934 14.2934 15.6370 15.6370 16.5491 16.5491 k =-0.5000 0.1679 0.1698 ( 2454 PWs) bands (ev): -6.2806 -6.2806 -6.0628 -6.0628 3.7991 3.7991 3.8517 3.8517 5.1208 5.1208 5.1571 5.1571 5.5268 5.5268 5.6411 5.6411 5.7568 5.7568 5.9775 5.9775 6.2433 6.2433 6.5002 6.5002 6.7698 6.7698 7.3615 7.3615 7.4723 7.4723 7.9336 7.9336 8.0902 8.0902 8.2162 8.2162 12.3920 12.3920 14.2374 14.2374 15.6140 15.6140 16.7007 16.7007 k =-0.5000 0.1679 0.1528 ( 2454 PWs) bands (ev): -6.2876 -6.2876 -6.0670 -6.0670 3.8410 3.8410 3.8891 3.8891 5.1053 5.1053 5.2152 5.2152 5.5210 5.5210 5.6394 5.6394 5.7886 5.7886 6.0240 6.0240 6.2400 6.2400 6.4812 6.4812 6.7437 6.7437 7.3035 7.3035 7.4432 7.4432 7.9033 7.9033 8.0494 8.0494 8.2010 8.2010 12.3743 12.3743 14.1861 14.1861 15.5941 15.5941 16.8546 16.8546 k =-0.5000 0.1679 0.1358 ( 2454 PWs) bands (ev): -6.2939 -6.2939 -6.0709 -6.0709 3.8548 3.8548 3.9522 3.9522 5.0861 5.0861 5.2676 5.2676 5.5109 5.5109 5.6430 5.6430 5.8245 5.8245 6.0731 6.0731 6.2390 6.2390 6.4629 6.4629 6.7152 6.7152 7.2373 7.2373 7.4237 7.4237 7.8686 7.8686 8.0119 8.0119 8.1919 8.1919 12.3576 12.3576 14.1399 14.1399 15.5771 15.5771 17.0101 17.0101 k =-0.5000 0.1679 0.1188 ( 2470 PWs) bands (ev): -6.2996 -6.2996 -6.0743 -6.0743 3.8623 3.8623 4.0190 4.0190 5.0629 5.0629 5.3114 5.3114 5.4972 5.4972 5.6568 5.6568 5.8615 5.8615 6.1222 6.1222 6.2412 6.2412 6.4457 6.4457 6.6843 6.6843 7.1680 7.1680 7.4090 7.4090 7.8299 7.8299 7.9805 7.9805 8.1865 8.1865 12.3420 12.3420 14.0988 14.0988 15.5628 15.5628 17.1667 17.1667 k =-0.5000 0.1679 0.1019 ( 2470 PWs) bands (ev): -6.3045 -6.3045 -6.0774 -6.0774 3.8675 3.8675 4.0847 4.0847 5.0359 5.0359 5.3446 5.3446 5.4825 5.4825 5.6811 5.6811 5.8979 5.8979 6.1677 6.1677 6.2493 6.2493 6.4305 6.4305 6.6517 6.6517 7.0983 7.0983 7.3974 7.3974 7.7892 7.7892 7.9557 7.9557 8.1836 8.1836 12.3279 12.3279 14.0630 14.0630 15.5510 15.5510 17.3232 17.3232 k =-0.5000 0.1679 0.0849 ( 2470 PWs) bands (ev): -6.3088 -6.3088 -6.0801 -6.0801 3.8713 3.8713 4.1477 4.1477 5.0059 5.0059 5.3672 5.3672 5.4691 5.4691 5.7133 5.7133 5.9326 5.9326 6.2021 6.2021 6.2681 6.2681 6.4194 6.4194 6.6179 6.6179 7.0294 7.0294 7.3880 7.3880 7.7492 7.7492 7.9366 7.9366 8.1822 8.1822 12.3155 12.3155 14.0327 14.0327 15.5415 15.5415 17.4639 17.4639 k =-0.5000 0.1679 0.0679 ( 2470 PWs) bands (ev): -6.3122 -6.3122 -6.0822 -6.0822 3.8741 3.8741 4.2061 4.2061 4.9742 4.9742 5.3806 5.3806 5.4585 5.4585 5.7487 5.7487 5.9643 5.9643 6.2226 6.2226 6.2950 6.2950 6.4173 6.4173 6.5844 6.5844 6.9627 6.9627 7.3805 7.3805 7.7127 7.7127 7.9222 7.9222 8.1815 8.1815 12.3050 12.3050 14.0078 14.0078 15.5340 15.5340 17.4825 17.4825 k =-0.5000 0.1679 0.0509 ( 2468 PWs) bands (ev): -6.3150 -6.3150 -6.0840 -6.0840 3.8761 3.8761 4.2576 4.2576 4.9433 4.9433 5.3872 5.3872 5.4515 5.4515 5.7825 5.7825 5.9917 5.9917 6.2364 6.2364 6.3136 6.3136 6.4315 6.4315 6.5532 6.5532 6.8999 6.8999 7.3747 7.3747 7.6819 7.6819 7.9117 7.9117 8.1814 8.1814 12.2966 12.2966 13.9884 13.9884 15.5283 15.5283 17.4799 17.4799 k =-0.5000 0.1679 0.0340 ( 2476 PWs) bands (ev): -6.3169 -6.3169 -6.0852 -6.0852 3.8774 3.8774 4.2989 4.2989 4.9164 4.9164 5.3896 5.3896 5.4475 5.4475 5.8100 5.8100 6.0134 6.0134 6.2476 6.2476 6.3186 6.3186 6.4581 6.4581 6.5287 6.5287 6.8443 6.8443 7.3707 7.3707 7.6586 7.6586 7.9044 7.9044 8.1815 8.1815 12.2905 12.2905 13.9745 13.9745 15.5244 15.5244 17.4773 17.4773 k =-0.5000 0.1679 0.0170 ( 2478 PWs) bands (ev): -6.3181 -6.3181 -6.0860 -6.0860 3.8782 3.8782 4.3261 4.3261 4.8977 4.8977 5.3901 5.3901 5.4457 5.4457 5.8279 5.8279 6.0275 6.0275 6.2555 6.2555 6.3183 6.3183 6.4756 6.4756 6.5212 6.5212 6.8027 6.8027 7.3683 7.3683 7.6441 7.6441 7.9002 7.9002 8.1815 8.1815 12.2869 12.2869 13.9662 13.9662 15.5221 15.5221 17.4757 17.4757 k =-0.5000 0.1679-0.0000 ( 2482 PWs) bands (ev): -6.3185 -6.3185 -6.0862 -6.0862 3.8784 3.8784 4.3357 4.3357 4.8909 4.8909 5.3901 5.3901 5.4452 5.4452 5.8341 5.8341 6.0324 6.0324 6.2584 6.2584 6.3178 6.3178 6.4769 6.4769 6.5255 6.5255 6.7863 6.7863 7.3675 7.3675 7.6391 7.6391 7.8988 7.8988 8.1815 8.1815 12.2856 12.2856 13.9634 13.9634 15.5213 15.5213 17.4751 17.4751 k = 0.0000 0.0000 0.6622 ( 2464 PWs) bands (ev): -6.0518 -6.0518 -6.0518 -6.0518 3.7127 3.7127 3.7127 3.7127 4.7148 4.7148 4.7148 4.7148 4.8341 4.8341 4.8341 4.8341 5.9022 5.9022 5.9022 5.9022 6.5625 6.5625 6.5625 6.5625 6.9226 6.9226 6.9226 6.9226 7.8792 7.8792 7.8792 7.8792 9.0798 9.0798 9.0798 9.0798 14.0294 14.0294 14.0294 14.0294 16.3318 16.3318 16.3318 16.3318 k =-0.0156 0.0052 0.6622 ( 2456 PWs) bands (ev): -6.0517 -6.0517 -6.0517 -6.0517 3.7091 3.7091 3.7091 3.7091 4.7157 4.7157 4.7157 4.7157 4.8346 4.8346 4.8346 4.8346 5.9032 5.9032 5.9032 5.9032 6.5642 6.5642 6.5642 6.5642 6.9223 6.9223 6.9223 6.9223 7.8805 7.8805 7.8805 7.8805 9.0795 9.0795 9.0795 9.0795 14.0275 14.0275 14.0275 14.0275 16.3341 16.3341 16.3341 16.3341 k =-0.0312 0.0105 0.6622 ( 2460 PWs) bands (ev): -6.0513 -6.0513 -6.0513 -6.0513 3.6986 3.6986 3.6986 3.6986 4.7181 4.7181 4.7181 4.7181 4.8358 4.8358 4.8358 4.8358 5.9060 5.9060 5.9060 5.9060 6.5693 6.5693 6.5693 6.5693 6.9215 6.9215 6.9215 6.9215 7.8844 7.8844 7.8844 7.8844 9.0786 9.0786 9.0786 9.0786 14.0220 14.0220 14.0220 14.0220 16.3410 16.3410 16.3410 16.3410 k =-0.0469 0.0157 0.6622 ( 2456 PWs) bands (ev): -6.0506 -6.0506 -6.0506 -6.0506 3.6814 3.6814 3.6814 3.6814 4.7220 4.7220 4.7220 4.7220 4.8379 4.8379 4.8379 4.8379 5.9105 5.9105 5.9105 5.9105 6.5776 6.5776 6.5776 6.5776 6.9201 6.9201 6.9201 6.9201 7.8909 7.8909 7.8909 7.8909 9.0770 9.0770 9.0770 9.0770 14.0127 14.0127 14.0127 14.0127 16.3525 16.3525 16.3525 16.3525 k =-0.0625 0.0210 0.6622 ( 2456 PWs) bands (ev): -6.0496 -6.0496 -6.0496 -6.0496 3.6582 3.6582 3.6582 3.6582 4.7271 4.7271 4.7271 4.7271 4.8408 4.8408 4.8408 4.8408 5.9164 5.9164 5.9164 5.9164 6.5891 6.5891 6.5891 6.5891 6.9184 6.9184 6.9184 6.9184 7.9001 7.9001 7.9001 7.9001 9.0749 9.0749 9.0749 9.0749 13.9999 13.9999 13.9999 13.9999 16.3683 16.3683 16.3683 16.3683 k =-0.0781 0.0262 0.6622 ( 2456 PWs) bands (ev): -6.0484 -6.0484 -6.0484 -6.0484 3.6296 3.6296 3.6296 3.6296 4.7331 4.7331 4.7331 4.7331 4.8444 4.8444 4.8444 4.8444 5.9233 5.9233 5.9233 5.9233 6.6036 6.6036 6.6036 6.6036 6.9163 6.9163 6.9163 6.9163 7.9120 7.9120 7.9120 7.9120 9.0723 9.0723 9.0723 9.0723 13.9837 13.9837 13.9837 13.9837 16.3883 16.3883 16.3883 16.3883 k =-0.0938 0.0315 0.6622 ( 2456 PWs) bands (ev): -6.0470 -6.0470 -6.0470 -6.0470 3.5963 3.5963 3.5963 3.5963 4.7396 4.7396 4.7396 4.7396 4.8487 4.8487 4.8487 4.8487 5.9308 5.9308 5.9308 5.9308 6.6207 6.6207 6.6207 6.6207 6.9142 6.9142 6.9142 6.9142 7.9267 7.9267 7.9267 7.9267 9.0691 9.0691 9.0691 9.0691 13.9640 13.9640 13.9640 13.9640 16.4123 16.4123 16.4123 16.4123 k =-0.1094 0.0367 0.6622 ( 2460 PWs) bands (ev): -6.0454 -6.0454 -6.0454 -6.0454 3.5592 3.5592 3.5592 3.5592 4.7464 4.7464 4.7464 4.7464 4.8536 4.8536 4.8536 4.8536 5.9386 5.9386 5.9386 5.9386 6.6400 6.6400 6.6400 6.6400 6.9123 6.9123 6.9123 6.9123 7.9442 7.9442 7.9442 7.9442 9.0654 9.0654 9.0654 9.0654 13.9412 13.9412 13.9412 13.9412 16.4400 16.4400 16.4400 16.4400 k =-0.1250 0.0420 0.6622 ( 2456 PWs) bands (ev): -6.0435 -6.0435 -6.0435 -6.0435 3.5189 3.5189 3.5189 3.5189 4.7532 4.7532 4.7532 4.7532 4.8590 4.8590 4.8590 4.8590 5.9463 5.9463 5.9463 5.9463 6.6609 6.6609 6.6609 6.6609 6.9110 6.9110 6.9110 6.9110 7.9648 7.9648 7.9648 7.9648 9.0613 9.0613 9.0613 9.0613 13.9154 13.9154 13.9154 13.9154 16.4710 16.4710 16.4710 16.4710 k =-0.1406 0.0472 0.6622 ( 2452 PWs) bands (ev): -6.0414 -6.0414 -6.0414 -6.0414 3.4763 3.4763 3.4763 3.4763 4.7600 4.7600 4.7600 4.7600 4.8649 4.8649 4.8649 4.8649 5.9536 5.9536 5.9536 5.9536 6.6822 6.6822 6.6822 6.6822 6.9110 6.9110 6.9110 6.9110 7.9882 7.9882 7.9882 7.9882 9.0568 9.0568 9.0568 9.0568 13.8867 13.8867 13.8867 13.8867 16.5051 16.5051 16.5051 16.5051 k =-0.1562 0.0525 0.6622 ( 2450 PWs) bands (ev): -6.0392 -6.0392 -6.0392 -6.0392 3.4319 3.4319 3.4319 3.4319 4.7666 4.7666 4.7666 4.7666 4.8712 4.8712 4.8712 4.8712 5.9603 5.9603 5.9603 5.9603 6.7028 6.7028 6.7028 6.7028 6.9130 6.9130 6.9130 6.9130 8.0148 8.0148 8.0148 8.0148 9.0520 9.0520 9.0520 9.0520 13.8554 13.8554 13.8554 13.8554 16.5418 16.5418 16.5418 16.5418 k =-0.1719 0.0577 0.6622 ( 2460 PWs) bands (ev): -6.0368 -6.0368 -6.0368 -6.0368 3.3863 3.3863 3.3863 3.3863 4.7728 4.7728 4.7728 4.7728 4.8777 4.8777 4.8777 4.8777 5.9663 5.9663 5.9663 5.9663 6.7211 6.7211 6.7211 6.7211 6.9181 6.9181 6.9181 6.9181 8.0445 8.0445 8.0445 8.0445 9.0468 9.0468 9.0468 9.0468 13.8216 13.8216 13.8216 13.8216 16.5807 16.5807 16.5807 16.5807 k =-0.1875 0.0630 0.6622 ( 2464 PWs) bands (ev): -6.0342 -6.0342 -6.0342 -6.0342 3.3402 3.3402 3.3402 3.3402 4.7787 4.7787 4.7787 4.7787 4.8845 4.8845 4.8845 4.8845 5.9715 5.9715 5.9715 5.9715 6.7357 6.7357 6.7357 6.7357 6.9273 6.9273 6.9273 6.9273 8.0772 8.0772 8.0772 8.0772 9.0415 9.0415 9.0415 9.0415 13.7857 13.7857 13.7857 13.7857 16.6214 16.6214 16.6214 16.6214 k =-0.2031 0.0682 0.6622 ( 2460 PWs) bands (ev): -6.0316 -6.0316 -6.0316 -6.0316 3.2940 3.2940 3.2940 3.2940 4.7843 4.7843 4.7843 4.7843 4.8916 4.8916 4.8916 4.8916 5.9758 5.9758 5.9758 5.9758 6.7456 6.7456 6.7456 6.7456 6.9412 6.9412 6.9412 6.9412 8.1130 8.1130 8.1130 8.1130 9.0359 9.0359 9.0359 9.0359 13.7477 13.7477 13.7477 13.7477 16.6633 16.6633 16.6633 16.6633 k =-0.2188 0.0734 0.6622 ( 2464 PWs) bands (ev): -6.0288 -6.0288 -6.0288 -6.0288 3.2480 3.2480 3.2480 3.2480 4.7894 4.7894 4.7894 4.7894 4.8988 4.8988 4.8988 4.8988 5.9794 5.9794 5.9794 5.9794 6.7506 6.7506 6.7506 6.7506 6.9592 6.9592 6.9592 6.9592 8.1517 8.1517 8.1517 8.1517 9.0303 9.0303 9.0303 9.0303 13.7081 13.7081 13.7081 13.7081 16.7058 16.7058 16.7058 16.7058 k =-0.2344 0.0787 0.6622 ( 2456 PWs) bands (ev): -6.0260 -6.0260 -6.0260 -6.0260 3.2028 3.2028 3.2028 3.2028 4.7941 4.7941 4.7941 4.7941 4.9062 4.9062 4.9062 4.9062 5.9822 5.9822 5.9822 5.9822 6.7515 6.7515 6.7515 6.7515 6.9804 6.9804 6.9804 6.9804 8.1931 8.1931 8.1931 8.1931 9.0246 9.0246 9.0246 9.0246 13.6670 13.6670 13.6670 13.6670 16.7485 16.7485 16.7485 16.7485 k =-0.2500 0.0839 0.6622 ( 2454 PWs) bands (ev): -6.0232 -6.0232 -6.0232 -6.0232 3.1587 3.1587 3.1587 3.1587 4.7984 4.7984 4.7984 4.7984 4.9137 4.9137 4.9137 4.9137 5.9844 5.9844 5.9844 5.9844 6.7491 6.7491 6.7491 6.7491 7.0035 7.0035 7.0035 7.0035 8.2368 8.2368 8.2368 8.2368 9.0189 9.0189 9.0189 9.0189 13.6248 13.6248 13.6248 13.6248 16.7905 16.7905 16.7905 16.7905 k =-0.2656 0.0892 0.6622 ( 2450 PWs) bands (ev): -6.0204 -6.0204 -6.0204 -6.0204 3.1159 3.1159 3.1159 3.1159 4.8023 4.8023 4.8023 4.8023 4.9213 4.9213 4.9213 4.9213 5.9859 5.9859 5.9859 5.9859 6.7445 6.7445 6.7445 6.7445 7.0273 7.0273 7.0273 7.0273 8.2826 8.2826 8.2826 8.2826 9.0133 9.0133 9.0133 9.0133 13.5818 13.5818 13.5818 13.5818 16.8314 16.8314 16.8314 16.8314 k =-0.2812 0.0944 0.6622 ( 2458 PWs) bands (ev): -6.0176 -6.0176 -6.0176 -6.0176 3.0748 3.0748 3.0748 3.0748 4.8057 4.8057 4.8057 4.8057 4.9288 4.9288 4.9288 4.9288 5.9869 5.9869 5.9869 5.9869 6.7382 6.7382 6.7382 6.7382 7.0509 7.0509 7.0509 7.0509 8.3298 8.3298 8.3298 8.3298 9.0078 9.0078 9.0078 9.0078 13.5383 13.5383 13.5383 13.5383 16.8704 16.8704 16.8704 16.8704 k =-0.2969 0.0997 0.6622 ( 2466 PWs) bands (ev): -6.0148 -6.0148 -6.0148 -6.0148 3.0356 3.0356 3.0356 3.0356 4.8088 4.8088 4.8088 4.8088 4.9363 4.9363 4.9363 4.9363 5.9875 5.9875 5.9875 5.9875 6.7309 6.7309 6.7309 6.7309 7.0736 7.0736 7.0736 7.0736 8.3780 8.3780 8.3780 8.3780 9.0025 9.0025 9.0025 9.0025 13.4948 13.4948 13.4948 13.4948 16.9068 16.9068 16.9068 16.9068 k =-0.3125 0.1049 0.6622 ( 2468 PWs) bands (ev): -6.0121 -6.0121 -6.0121 -6.0121 2.9985 2.9985 2.9985 2.9985 4.8115 4.8115 4.8115 4.8115 4.9437 4.9437 4.9437 4.9437 5.9877 5.9877 5.9877 5.9877 6.7231 6.7231 6.7231 6.7231 7.0952 7.0952 7.0952 7.0952 8.4267 8.4267 8.4267 8.4267 8.9974 8.9974 8.9974 8.9974 13.4517 13.4517 13.4517 13.4517 16.9401 16.9401 16.9401 16.9401 k =-0.3281 0.1102 0.6622 ( 2468 PWs) bands (ev): -6.0096 -6.0096 -6.0096 -6.0096 2.9637 2.9637 2.9637 2.9637 4.8138 4.8138 4.8138 4.8138 4.9509 4.9509 4.9509 4.9509 5.9877 5.9877 5.9877 5.9877 6.7149 6.7149 6.7149 6.7149 7.1153 7.1153 7.1153 7.1153 8.4751 8.4751 8.4751 8.4751 8.9926 8.9926 8.9926 8.9926 13.4093 13.4093 13.4093 13.4093 16.9698 16.9698 16.9698 16.9698 k =-0.3438 0.1154 0.6622 ( 2468 PWs) bands (ev): -6.0071 -6.0071 -6.0071 -6.0071 2.9314 2.9314 2.9314 2.9314 4.8159 4.8159 4.8159 4.8159 4.9578 4.9578 4.9578 4.9578 5.9875 5.9875 5.9875 5.9875 6.7067 6.7067 6.7067 6.7067 7.1337 7.1337 7.1337 7.1337 8.5225 8.5225 8.5225 8.5225 8.9882 8.9882 8.9882 8.9882 13.3682 13.3682 13.3682 13.3682 16.9956 16.9956 16.9956 16.9956 k =-0.3594 0.1207 0.6622 ( 2472 PWs) bands (ev): -6.0048 -6.0048 -6.0048 -6.0048 2.9017 2.9017 2.9017 2.9017 4.8177 4.8177 4.8177 4.8177 4.9644 4.9644 4.9644 4.9644 5.9871 5.9871 5.9871 5.9871 6.6988 6.6988 6.6988 6.6988 7.1502 7.1502 7.1502 7.1502 8.5682 8.5682 8.5682 8.5682 8.9841 8.9841 8.9841 8.9841 13.3289 13.3289 13.3289 13.3289 17.0173 17.0173 17.0173 17.0173 k =-0.3750 0.1259 0.6622 ( 2472 PWs) bands (ev): -6.0027 -6.0027 -6.0027 -6.0027 2.8748 2.8748 2.8748 2.8748 4.8192 4.8192 4.8192 4.8192 4.9705 4.9705 4.9705 4.9705 5.9866 5.9866 5.9866 5.9866 6.6911 6.6911 6.6911 6.6911 7.1650 7.1650 7.1650 7.1650 8.6116 8.6116 8.6116 8.6116 8.9804 8.9804 8.9804 8.9804 13.2918 13.2918 13.2918 13.2918 17.0350 17.0350 17.0350 17.0350 k =-0.3906 0.1311 0.6622 ( 2472 PWs) bands (ev): -6.0008 -6.0008 -6.0008 -6.0008 2.8508 2.8508 2.8508 2.8508 4.8205 4.8205 4.8205 4.8205 4.9762 4.9762 4.9762 4.9762 5.9861 5.9861 5.9861 5.9861 6.6840 6.6840 6.6840 6.6840 7.1781 7.1781 7.1781 7.1781 8.6517 8.6517 8.6517 8.6517 8.9773 8.9773 8.9773 8.9773 13.2576 13.2576 13.2576 13.2576 17.0489 17.0489 17.0489 17.0489 k =-0.4062 0.1364 0.6622 ( 2468 PWs) bands (ev): -5.9990 -5.9990 -5.9990 -5.9990 2.8299 2.8299 2.8299 2.8299 4.8216 4.8216 4.8216 4.8216 4.9812 4.9812 4.9812 4.9812 5.9856 5.9856 5.9856 5.9856 6.6776 6.6776 6.6776 6.6776 7.1893 7.1893 7.1893 7.1893 8.6881 8.6881 8.6881 8.6881 8.9746 8.9746 8.9746 8.9746 13.2266 13.2266 13.2266 13.2266 17.0595 17.0595 17.0595 17.0595 k =-0.4219 0.1416 0.6622 ( 2468 PWs) bands (ev): -5.9976 -5.9976 -5.9976 -5.9976 2.8119 2.8119 2.8119 2.8119 4.8225 4.8225 4.8225 4.8225 4.9856 4.9856 4.9856 4.9856 5.9851 5.9851 5.9851 5.9851 6.6720 6.6720 6.6720 6.6720 7.1986 7.1986 7.1986 7.1986 8.7199 8.7199 8.7199 8.7199 8.9724 8.9724 8.9724 8.9724 13.1994 13.1994 13.1994 13.1994 17.0672 17.0672 17.0672 17.0672 k =-0.4375 0.1469 0.6622 ( 2468 PWs) bands (ev): -5.9963 -5.9963 -5.9963 -5.9963 2.7972 2.7972 2.7972 2.7972 4.8231 4.8231 4.8231 4.8231 4.9893 4.9893 4.9893 4.9893 5.9847 5.9847 5.9847 5.9847 6.6672 6.6672 6.6672 6.6672 7.2063 7.2063 7.2063 7.2063 8.7467 8.7467 8.7467 8.7467 8.9707 8.9707 8.9707 8.9707 13.1765 13.1765 13.1765 13.1765 17.0727 17.0727 17.0727 17.0727 k =-0.4531 0.1521 0.6622 ( 2468 PWs) bands (ev): -5.9954 -5.9954 -5.9954 -5.9954 2.7857 2.7857 2.7857 2.7857 4.8237 4.8237 4.8237 4.8237 4.9922 4.9922 4.9922 4.9922 5.9843 5.9843 5.9843 5.9843 6.6634 6.6634 6.6634 6.6634 7.2122 7.2122 7.2122 7.2122 8.7680 8.7680 8.7680 8.7680 8.9695 8.9695 8.9695 8.9695 13.1582 13.1582 13.1582 13.1582 17.0763 17.0763 17.0763 17.0763 k =-0.4688 0.1574 0.6622 ( 2468 PWs) bands (ev): -5.9947 -5.9947 -5.9947 -5.9947 2.7774 2.7774 2.7774 2.7774 4.8240 4.8240 4.8240 4.8240 4.9944 4.9944 4.9944 4.9944 5.9841 5.9841 5.9841 5.9841 6.6606 6.6606 6.6606 6.6606 7.2165 7.2165 7.2165 7.2165 8.7833 8.7833 8.7833 8.7833 8.9688 8.9688 8.9688 8.9688 13.1449 13.1449 13.1449 13.1449 17.0786 17.0786 17.0786 17.0786 k =-0.4844 0.1626 0.6622 ( 2468 PWs) bands (ev): -5.9942 -5.9942 -5.9942 -5.9942 2.7724 2.7724 2.7724 2.7724 4.8242 4.8242 4.8242 4.8242 4.9957 4.9957 4.9957 4.9957 5.9839 5.9839 5.9839 5.9839 6.6590 6.6590 6.6590 6.6590 7.2190 7.2190 7.2190 7.2190 8.7926 8.7926 8.7926 8.7926 8.9684 8.9684 8.9684 8.9684 13.1368 13.1368 13.1368 13.1368 17.0798 17.0798 17.0798 17.0798 k =-0.5000 0.1679 0.6622 ( 2468 PWs) bands (ev): -5.9941 -5.9941 -5.9941 -5.9941 2.7707 2.7707 2.7707 2.7707 4.8243 4.8243 4.8243 4.8243 4.9961 4.9961 4.9961 4.9961 5.9839 5.9839 5.9839 5.9839 6.6584 6.6584 6.6584 6.6584 7.2199 7.2199 7.2199 7.2199 8.7958 8.7958 8.7958 8.7958 8.9683 8.9683 8.9683 8.9683 13.1341 13.1341 13.1341 13.1341 17.0802 17.0802 17.0802 17.0802 Writing output data file AgCl.save init_run : 3.14s CPU 13.39s WALL ( 1 calls) electrons : 537.56s CPU 546.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 537.50s CPU 545.77s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.73s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.47s WALL ( 1 calls) newd : 0.32s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.16s WALL ( 454 calls) cegterg : 478.65s CPU 482.54s WALL ( 983 calls) Called by sum_band: Called by *egterg: h_psi : 219.94s CPU 227.95s WALL ( 14995 calls) s_psi : 29.41s CPU 30.17s WALL ( 14995 calls) g_psi : 0.46s CPU 0.50s WALL ( 13558 calls) cdiaghg : 173.02s CPU 170.57s WALL ( 14012 calls) cegterg:over : 38.94s CPU 35.01s WALL ( 13558 calls) cegterg:upda : 4.87s CPU 8.20s WALL ( 13558 calls) cegterg:last : 4.90s CPU 5.82s WALL ( 2345 calls) Called by h_psi: h_psi:vloc : 165.81s CPU 172.67s WALL ( 14995 calls) h_psi:vnl : 53.95s CPU 54.78s WALL ( 14995 calls) add_vuspsi : 18.20s CPU 22.58s WALL ( 14995 calls) General routines calbec : 35.69s CPU 32.07s WALL ( 14995 calls) fft : 0.23s CPU 0.97s WALL ( 19 calls) ffts : 0.06s CPU 0.10s WALL ( 4 calls) fftw : 158.42s CPU 164.04s WALL ( 1283744 calls) interpolate : 0.17s CPU 0.21s WALL ( 4 calls) davcio : 0.05s CPU 2.55s WALL ( 908 calls) Parallel routines fft_scatter : 92.81s CPU 95.60s WALL ( 1283767 calls) PWSCF : 10m 1.86s CPU 12m56.51s WALL This run was terminated on: 11:25:12 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=