Program PWSCF v.5.1.1 starts on 23Jul2015 at 13:44:18 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: ./ScGe2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized 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 68 34 10 2098 749 120 Max 69 35 11 2101 767 123 Sum 3303 1675 495 100803 36423 5839 bravais-lattice index = 14 lattice parameter (alat) = 14.5190 a.u. unit-cell volume = 740.4995 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.519021 celldm(2)= 1.000000 celldm(3)= 0.494069 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.871894 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.871894 0.489694 0.000000 ) a(3) = ( 0.000000 0.000000 0.494069 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.780486 -0.000000 ) b(2) = ( 0.000000 2.042090 -0.000000 ) b(3) = ( 0.000000 0.000000 2.024008 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /home/autes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 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 Ge 4.00 72.64000 Ge( 1.00) Sc 11.00 44.95590 Sc( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 410 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0060707 0.0232056 -0.0000000), wk = 0.0024390 k( 3) = ( 0.0121413 0.0464111 -0.0000000), wk = 0.0024390 k( 4) = ( 0.0182120 0.0696167 -0.0000000), wk = 0.0024390 k( 5) = ( 0.0242826 0.0928223 -0.0000000), wk = 0.0024390 k( 6) = ( 0.0303533 0.1160278 -0.0000000), wk = 0.0024390 k( 7) = ( 0.0364240 0.1392334 -0.0000000), wk = 0.0024390 k( 8) = ( 0.0424946 0.1624390 -0.0000000), wk = 0.0024390 k( 9) = ( 0.0485653 0.1856445 -0.0000000), wk = 0.0024390 k( 10) = ( 0.0546360 0.2088501 -0.0000000), wk = 0.0024390 k( 11) = ( 0.0607066 0.2320557 -0.0000000), wk = 0.0024390 k( 12) = ( 0.0667773 0.2552613 -0.0000000), wk = 0.0024390 k( 13) = ( 0.0728479 0.2784668 -0.0000000), wk = 0.0024390 k( 14) = ( 0.0789186 0.3016724 -0.0000000), wk = 0.0024390 k( 15) = ( 0.0849893 0.3248780 -0.0000000), wk = 0.0024390 k( 16) = ( 0.0910599 0.3480835 -0.0000000), wk = 0.0024390 k( 17) = ( 0.0971306 0.3712891 -0.0000000), wk = 0.0024390 k( 18) = ( 0.1032012 0.3944947 -0.0000000), wk = 0.0024390 k( 19) = ( 0.1092719 0.4177002 -0.0000000), wk = 0.0024390 k( 20) = ( 0.1153426 0.4409058 -0.0000000), wk = 0.0024390 k( 21) = ( 0.1214132 0.4641114 -0.0000000), wk = 0.0024390 k( 22) = ( 0.1274839 0.4873170 -0.0000000), wk = 0.0024390 k( 23) = ( 0.1335546 0.5105225 -0.0000000), wk = 0.0024390 k( 24) = ( 0.1396252 0.5337281 -0.0000000), wk = 0.0024390 k( 25) = ( 0.1456959 0.5569336 -0.0000000), wk = 0.0024390 k( 26) = ( 0.1517665 0.5801392 -0.0000000), wk = 0.0024390 k( 27) = ( 0.1578372 0.6033448 -0.0000000), wk = 0.0024390 k( 28) = ( 0.1639079 0.6265504 -0.0000000), wk = 0.0024390 k( 29) = ( 0.1699785 0.6497559 -0.0000000), wk = 0.0024390 k( 30) = ( 0.1760492 0.6729615 -0.0000000), wk = 0.0024390 k( 31) = ( 0.1821198 0.6961671 -0.0000000), wk = 0.0024390 k( 32) = ( 0.1881905 0.7193727 -0.0000000), wk = 0.0024390 k( 33) = ( 0.1942612 0.7425782 -0.0000000), wk = 0.0024390 k( 34) = ( 0.2003318 0.7657838 -0.0000000), wk = 0.0024390 k( 35) = ( 0.2064025 0.7889893 -0.0000000), wk = 0.0024390 k( 36) = ( 0.2124732 0.8121949 -0.0000000), wk = 0.0024390 k( 37) = ( 0.2185438 0.8354005 -0.0000000), wk = 0.0024390 k( 38) = ( 0.2246145 0.8586061 -0.0000000), wk = 0.0024390 k( 39) = ( 0.2306852 0.8818116 -0.0000000), wk = 0.0024390 k( 40) = ( 0.2367558 0.9050172 -0.0000000), wk = 0.0024390 k( 41) = ( 0.2428265 0.9282228 -0.0000000), wk = 0.0024390 k( 42) = ( 0.2488971 0.9514283 -0.0000000), wk = 0.0024390 k( 43) = ( 0.2549678 0.9746339 -0.0000000), wk = 0.0024390 k( 44) = ( 0.2610385 0.9978395 -0.0000000), wk = 0.0024390 k( 45) = ( 0.2671091 1.0210450 -0.0000000), wk = 0.0024390 k( 46) = ( 0.2671091 1.0210450 -0.0000000), wk = 0.0024390 k( 47) = ( 0.2428265 1.0210450 -0.0000000), wk = 0.0024390 k( 48) = ( 0.2185438 1.0210450 -0.0000000), wk = 0.0024390 k( 49) = ( 0.1942612 1.0210450 -0.0000000), wk = 0.0024390 k( 50) = ( 0.1699785 1.0210450 -0.0000000), wk = 0.0024390 k( 51) = ( 0.1456959 1.0210450 -0.0000000), wk = 0.0024390 k( 52) = ( 0.1214132 1.0210450 -0.0000000), wk = 0.0024390 k( 53) = ( 0.0971306 1.0210450 -0.0000000), wk = 0.0024390 k( 54) = ( 0.0728479 1.0210450 -0.0000000), wk = 0.0024390 k( 55) = ( 0.0485653 1.0210450 -0.0000000), wk = 0.0024390 k( 56) = ( 0.0242826 1.0210450 -0.0000000), wk = 0.0024390 k( 57) = ( 0.0000000 1.0210450 -0.0000000), wk = 0.0024390 k( 58) = ( 0.0000000 1.0210450 -0.0000000), wk = 0.0024390 k( 59) = ( 0.0000000 1.0210450 0.0240953), wk = 0.0024390 k( 60) = ( 0.0000000 1.0210450 0.0481907), wk = 0.0024390 k( 61) = ( 0.0000000 1.0210450 0.0722860), wk = 0.0024390 k( 62) = ( 0.0000000 1.0210450 0.0963814), wk = 0.0024390 k( 63) = ( 0.0000000 1.0210450 0.1204767), wk = 0.0024390 k( 64) = ( 0.0000000 1.0210450 0.1445720), wk = 0.0024390 k( 65) = ( 0.0000000 1.0210450 0.1686673), wk = 0.0024390 k( 66) = ( 0.0000000 1.0210450 0.1927627), wk = 0.0024390 k( 67) = ( 0.0000000 1.0210450 0.2168580), wk = 0.0024390 k( 68) = ( 0.0000000 1.0210450 0.2409534), wk = 0.0024390 k( 69) = ( 0.0000000 1.0210450 0.2650487), wk = 0.0024390 k( 70) = ( 0.0000000 1.0210450 0.2891440), wk = 0.0024390 k( 71) = ( 0.0000000 1.0210450 0.3132394), wk = 0.0024390 k( 72) = ( 0.0000000 1.0210450 0.3373347), wk = 0.0024390 k( 73) = ( 0.0000000 1.0210450 0.3614301), wk = 0.0024390 k( 74) = ( 0.0000000 1.0210450 0.3855254), wk = 0.0024390 k( 75) = ( 0.0000000 1.0210450 0.4096207), wk = 0.0024390 k( 76) = ( 0.0000000 1.0210450 0.4337160), wk = 0.0024390 k( 77) = ( 0.0000000 1.0210450 0.4578114), wk = 0.0024390 k( 78) = ( 0.0000000 1.0210450 0.4819067), wk = 0.0024390 k( 79) = ( 0.0000000 1.0210450 0.5060021), wk = 0.0024390 k( 80) = ( 0.0000000 1.0210450 0.5300974), wk = 0.0024390 k( 81) = ( 0.0000000 1.0210450 0.5541927), wk = 0.0024390 k( 82) = ( 0.0000000 1.0210450 0.5782881), wk = 0.0024390 k( 83) = ( 0.0000000 1.0210450 0.6023834), wk = 0.0024390 k( 84) = ( 0.0000000 1.0210450 0.6264788), wk = 0.0024390 k( 85) = ( 0.0000000 1.0210450 0.6505741), wk = 0.0024390 k( 86) = ( 0.0000000 1.0210450 0.6746694), wk = 0.0024390 k( 87) = ( 0.0000000 1.0210450 0.6987648), wk = 0.0024390 k( 88) = ( 0.0000000 1.0210450 0.7228601), wk = 0.0024390 k( 89) = ( 0.0000000 1.0210450 0.7469554), wk = 0.0024390 k( 90) = ( 0.0000000 1.0210450 0.7710508), wk = 0.0024390 k( 91) = ( 0.0000000 1.0210450 0.7951461), wk = 0.0024390 k( 92) = ( 0.0000000 1.0210450 0.8192414), wk = 0.0024390 k( 93) = ( 0.0000000 1.0210450 0.8433368), wk = 0.0024390 k( 94) = ( 0.0000000 1.0210450 0.8674321), wk = 0.0024390 k( 95) = ( 0.0000000 1.0210450 0.8915274), wk = 0.0024390 k( 96) = ( 0.0000000 1.0210450 0.9156228), wk = 0.0024390 k( 97) = ( 0.0000000 1.0210450 0.9397181), wk = 0.0024390 k( 98) = ( 0.0000000 1.0210450 0.9638135), wk = 0.0024390 k( 99) = ( 0.0000000 1.0210450 0.9879088), wk = 0.0024390 k( 100) = ( 0.0000000 1.0210450 1.0120041), wk = 0.0024390 k( 101) = ( 0.0000000 1.0210450 1.0120041), wk = 0.0024390 k( 102) = ( 0.0242826 1.0210450 1.0120041), wk = 0.0024390 k( 103) = ( 0.0485653 1.0210450 1.0120041), wk = 0.0024390 k( 104) = ( 0.0728479 1.0210450 1.0120041), wk = 0.0024390 k( 105) = ( 0.0971306 1.0210450 1.0120041), wk = 0.0024390 k( 106) = ( 0.1214132 1.0210450 1.0120041), wk = 0.0024390 k( 107) = ( 0.1456959 1.0210450 1.0120041), wk = 0.0024390 k( 108) = ( 0.1699785 1.0210450 1.0120041), wk = 0.0024390 k( 109) = ( 0.1942612 1.0210450 1.0120041), wk = 0.0024390 k( 110) = ( 0.2185438 1.0210450 1.0120041), wk = 0.0024390 k( 111) = ( 0.2428265 1.0210450 1.0120041), wk = 0.0024390 k( 112) = ( 0.2671091 1.0210450 1.0120041), wk = 0.0024390 k( 113) = ( 0.2671091 1.0210450 1.0120041), wk = 0.0024390 k( 114) = ( 0.2610385 0.9978395 1.0120041), wk = 0.0024390 k( 115) = ( 0.2549678 0.9746339 1.0120041), wk = 0.0024390 k( 116) = ( 0.2488971 0.9514283 1.0120041), wk = 0.0024390 k( 117) = ( 0.2428265 0.9282228 1.0120041), wk = 0.0024390 k( 118) = ( 0.2367558 0.9050172 1.0120041), wk = 0.0024390 k( 119) = ( 0.2306852 0.8818116 1.0120041), wk = 0.0024390 k( 120) = ( 0.2246145 0.8586061 1.0120041), wk = 0.0024390 k( 121) = ( 0.2185438 0.8354005 1.0120041), wk = 0.0024390 k( 122) = ( 0.2124732 0.8121949 1.0120041), wk = 0.0024390 k( 123) = ( 0.2064025 0.7889893 1.0120041), wk = 0.0024390 k( 124) = ( 0.2003318 0.7657838 1.0120041), wk = 0.0024390 k( 125) = ( 0.1942612 0.7425782 1.0120041), wk = 0.0024390 k( 126) = ( 0.1881905 0.7193727 1.0120041), wk = 0.0024390 k( 127) = ( 0.1821198 0.6961671 1.0120041), wk = 0.0024390 k( 128) = ( 0.1760492 0.6729615 1.0120041), wk = 0.0024390 k( 129) = ( 0.1699785 0.6497559 1.0120041), wk = 0.0024390 k( 130) = ( 0.1639079 0.6265504 1.0120041), wk = 0.0024390 k( 131) = ( 0.1578372 0.6033448 1.0120041), wk = 0.0024390 k( 132) = ( 0.1517665 0.5801392 1.0120041), wk = 0.0024390 k( 133) = ( 0.1456959 0.5569336 1.0120041), wk = 0.0024390 k( 134) = ( 0.1396252 0.5337281 1.0120041), wk = 0.0024390 k( 135) = ( 0.1335546 0.5105225 1.0120041), wk = 0.0024390 k( 136) = ( 0.1274839 0.4873170 1.0120041), wk = 0.0024390 k( 137) = ( 0.1214132 0.4641114 1.0120041), wk = 0.0024390 k( 138) = ( 0.1153426 0.4409058 1.0120041), wk = 0.0024390 k( 139) = ( 0.1092719 0.4177002 1.0120041), wk = 0.0024390 k( 140) = ( 0.1032012 0.3944947 1.0120041), wk = 0.0024390 k( 141) = ( 0.0971306 0.3712891 1.0120041), wk = 0.0024390 k( 142) = ( 0.0910599 0.3480835 1.0120041), wk = 0.0024390 k( 143) = ( 0.0849893 0.3248780 1.0120041), wk = 0.0024390 k( 144) = ( 0.0789186 0.3016724 1.0120041), wk = 0.0024390 k( 145) = ( 0.0728479 0.2784668 1.0120041), wk = 0.0024390 k( 146) = ( 0.0667773 0.2552613 1.0120041), wk = 0.0024390 k( 147) = ( 0.0607066 0.2320557 1.0120041), wk = 0.0024390 k( 148) = ( 0.0546360 0.2088501 1.0120041), wk = 0.0024390 k( 149) = ( 0.0485653 0.1856445 1.0120041), wk = 0.0024390 k( 150) = ( 0.0424946 0.1624390 1.0120041), wk = 0.0024390 k( 151) = ( 0.0364240 0.1392334 1.0120041), wk = 0.0024390 k( 152) = ( 0.0303533 0.1160278 1.0120041), wk = 0.0024390 k( 153) = ( 0.0242826 0.0928223 1.0120041), wk = 0.0024390 k( 154) = ( 0.0182120 0.0696167 1.0120041), wk = 0.0024390 k( 155) = ( 0.0121413 0.0464111 1.0120041), wk = 0.0024390 k( 156) = ( 0.0060707 0.0232056 1.0120041), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 1.0120041), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 1.0120041), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.9879088), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.9638135), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.9397181), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.9156228), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.8915274), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.8674321), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.8433368), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.8192414), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.7951461), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.7710508), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.7469554), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.7228601), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.6987648), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.6746694), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.6505741), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.6264788), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.6023834), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.5782881), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.5541927), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.5300974), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.5060021), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.4819067), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.4578114), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.4337160), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.4096207), wk = 0.0024390 k( 184) = ( 0.0000000 0.0000000 0.3855254), wk = 0.0024390 k( 185) = ( 0.0000000 0.0000000 0.3614301), wk = 0.0024390 k( 186) = ( 0.0000000 0.0000000 0.3373347), wk = 0.0024390 k( 187) = ( 0.0000000 0.0000000 0.3132394), wk = 0.0024390 k( 188) = ( 0.0000000 0.0000000 0.2891440), wk = 0.0024390 k( 189) = ( 0.0000000 0.0000000 0.2650487), wk = 0.0024390 k( 190) = ( 0.0000000 0.0000000 0.2409534), wk = 0.0024390 k( 191) = ( 0.0000000 0.0000000 0.2168580), wk = 0.0024390 k( 192) = ( 0.0000000 0.0000000 0.1927627), wk = 0.0024390 k( 193) = ( 0.0000000 0.0000000 0.1686673), wk = 0.0024390 k( 194) = ( 0.0000000 0.0000000 0.1445720), wk = 0.0024390 k( 195) = ( 0.0000000 0.0000000 0.1204767), wk = 0.0024390 k( 196) = ( 0.0000000 0.0000000 0.0963814), wk = 0.0024390 k( 197) = ( 0.0000000 0.0000000 0.0722860), wk = 0.0024390 k( 198) = ( 0.0000000 0.0000000 0.0481907), wk = 0.0024390 k( 199) = ( 0.0000000 0.0000000 0.0240953), wk = 0.0024390 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 202) = ( -0.0227273 0.0059455 -0.0000000), wk = 0.0024390 k( 203) = ( -0.0454546 0.0118911 -0.0000000), wk = 0.0024390 k( 204) = ( -0.0681818 0.0178366 -0.0000000), wk = 0.0024390 k( 205) = ( -0.0909091 0.0237822 -0.0000000), wk = 0.0024390 k( 206) = ( -0.1136364 0.0297277 -0.0000000), wk = 0.0024390 k( 207) = ( -0.1363636 0.0356732 -0.0000000), wk = 0.0024390 k( 208) = ( -0.1590909 0.0416188 -0.0000000), wk = 0.0024390 k( 209) = ( -0.1818182 0.0475643 -0.0000000), wk = 0.0024390 k( 210) = ( -0.2045454 0.0535098 -0.0000000), wk = 0.0024390 k( 211) = ( -0.2272727 0.0594554 -0.0000000), wk = 0.0024390 k( 212) = ( -0.2500000 0.0654009 -0.0000000), wk = 0.0024390 k( 213) = ( -0.2727273 0.0713465 -0.0000000), wk = 0.0024390 k( 214) = ( -0.2954545 0.0772920 -0.0000000), wk = 0.0024390 k( 215) = ( -0.3181818 0.0832375 -0.0000000), wk = 0.0024390 k( 216) = ( -0.3409091 0.0891831 -0.0000000), wk = 0.0024390 k( 217) = ( -0.3636364 0.0951286 -0.0000000), wk = 0.0024390 k( 218) = ( -0.3863636 0.1010741 -0.0000000), wk = 0.0024390 k( 219) = ( -0.4090909 0.1070197 -0.0000000), wk = 0.0024390 k( 220) = ( -0.4318182 0.1129652 -0.0000000), wk = 0.0024390 k( 221) = ( -0.4545455 0.1189108 -0.0000000), wk = 0.0024390 k( 222) = ( -0.4772727 0.1248563 -0.0000000), wk = 0.0024390 k( 223) = ( -0.5000000 0.1308018 -0.0000000), wk = 0.0024390 k( 224) = ( -0.5000000 0.1308018 -0.0000000), wk = 0.0024390 k( 225) = ( -0.4938713 0.1542293 -0.0000000), wk = 0.0024390 k( 226) = ( -0.4877426 0.1776567 -0.0000000), wk = 0.0024390 k( 227) = ( -0.4816139 0.2010842 -0.0000000), wk = 0.0024390 k( 228) = ( -0.4754852 0.2245116 -0.0000000), wk = 0.0024390 k( 229) = ( -0.4693565 0.2479391 -0.0000000), wk = 0.0024390 k( 230) = ( -0.4632278 0.2713665 -0.0000000), wk = 0.0024390 k( 231) = ( -0.4570991 0.2947940 -0.0000000), wk = 0.0024390 k( 232) = ( -0.4509703 0.3182215 -0.0000000), wk = 0.0024390 k( 233) = ( -0.4448416 0.3416489 -0.0000000), wk = 0.0024390 k( 234) = ( -0.4387129 0.3650763 -0.0000000), wk = 0.0024390 k( 235) = ( -0.4325842 0.3885038 -0.0000000), wk = 0.0024390 k( 236) = ( -0.4264555 0.4119313 -0.0000000), wk = 0.0024390 k( 237) = ( -0.4203268 0.4353587 -0.0000000), wk = 0.0024390 k( 238) = ( -0.4141981 0.4587862 -0.0000000), wk = 0.0024390 k( 239) = ( -0.4080694 0.4822136 -0.0000000), wk = 0.0024390 k( 240) = ( -0.4019407 0.5056411 -0.0000000), wk = 0.0024390 k( 241) = ( -0.3958120 0.5290685 -0.0000000), wk = 0.0024390 k( 242) = ( -0.3896833 0.5524960 -0.0000000), wk = 0.0024390 k( 243) = ( -0.3835546 0.5759234 -0.0000000), wk = 0.0024390 k( 244) = ( -0.3774259 0.5993509 -0.0000000), wk = 0.0024390 k( 245) = ( -0.3712971 0.6227784 -0.0000000), wk = 0.0024390 k( 246) = ( -0.3651684 0.6462058 -0.0000000), wk = 0.0024390 k( 247) = ( -0.3590397 0.6696332 -0.0000000), wk = 0.0024390 k( 248) = ( -0.3529110 0.6930607 -0.0000000), wk = 0.0024390 k( 249) = ( -0.3467823 0.7164882 -0.0000000), wk = 0.0024390 k( 250) = ( -0.3406536 0.7399156 -0.0000000), wk = 0.0024390 k( 251) = ( -0.3345249 0.7633431 -0.0000000), wk = 0.0024390 k( 252) = ( -0.3283962 0.7867705 -0.0000000), wk = 0.0024390 k( 253) = ( -0.3222675 0.8101979 -0.0000000), wk = 0.0024390 k( 254) = ( -0.3161388 0.8336254 -0.0000000), wk = 0.0024390 k( 255) = ( -0.3100101 0.8570529 -0.0000000), wk = 0.0024390 k( 256) = ( -0.3038814 0.8804803 -0.0000000), wk = 0.0024390 k( 257) = ( -0.2977527 0.9039078 -0.0000000), wk = 0.0024390 k( 258) = ( -0.2916240 0.9273352 -0.0000000), wk = 0.0024390 k( 259) = ( -0.2854952 0.9507627 -0.0000000), wk = 0.0024390 k( 260) = ( -0.2793665 0.9741901 -0.0000000), wk = 0.0024390 k( 261) = ( -0.2732378 0.9976176 -0.0000000), wk = 0.0024390 k( 262) = ( -0.2671091 1.0210450 -0.0000000), wk = 0.0024390 k( 263) = ( -0.2671091 1.0210450 -0.0000000), wk = 0.0024390 k( 264) = ( -0.2671091 1.0210450 0.0240953), wk = 0.0024390 k( 265) = ( -0.2671091 1.0210450 0.0481907), wk = 0.0024390 k( 266) = ( -0.2671091 1.0210450 0.0722860), wk = 0.0024390 k( 267) = ( -0.2671091 1.0210450 0.0963814), wk = 0.0024390 k( 268) = ( -0.2671091 1.0210450 0.1204767), wk = 0.0024390 k( 269) = ( -0.2671091 1.0210450 0.1445720), wk = 0.0024390 k( 270) = ( -0.2671091 1.0210450 0.1686673), wk = 0.0024390 k( 271) = ( -0.2671091 1.0210450 0.1927627), wk = 0.0024390 k( 272) = ( -0.2671091 1.0210450 0.2168580), wk = 0.0024390 k( 273) = ( -0.2671091 1.0210450 0.2409534), wk = 0.0024390 k( 274) = ( -0.2671091 1.0210450 0.2650487), wk = 0.0024390 k( 275) = ( -0.2671091 1.0210450 0.2891440), wk = 0.0024390 k( 276) = ( -0.2671091 1.0210450 0.3132394), wk = 0.0024390 k( 277) = ( -0.2671091 1.0210450 0.3373347), wk = 0.0024390 k( 278) = ( -0.2671091 1.0210450 0.3614301), wk = 0.0024390 k( 279) = ( -0.2671091 1.0210450 0.3855254), wk = 0.0024390 k( 280) = ( -0.2671091 1.0210450 0.4096207), wk = 0.0024390 k( 281) = ( -0.2671091 1.0210450 0.4337160), wk = 0.0024390 k( 282) = ( -0.2671091 1.0210450 0.4578114), wk = 0.0024390 k( 283) = ( -0.2671091 1.0210450 0.4819067), wk = 0.0024390 k( 284) = ( -0.2671091 1.0210450 0.5060021), wk = 0.0024390 k( 285) = ( -0.2671091 1.0210450 0.5300974), wk = 0.0024390 k( 286) = ( -0.2671091 1.0210450 0.5541927), wk = 0.0024390 k( 287) = ( -0.2671091 1.0210450 0.5782881), wk = 0.0024390 k( 288) = ( -0.2671091 1.0210450 0.6023834), wk = 0.0024390 k( 289) = ( -0.2671091 1.0210450 0.6264788), wk = 0.0024390 k( 290) = ( -0.2671091 1.0210450 0.6505741), wk = 0.0024390 k( 291) = ( -0.2671091 1.0210450 0.6746694), wk = 0.0024390 k( 292) = ( -0.2671091 1.0210450 0.6987648), wk = 0.0024390 k( 293) = ( -0.2671091 1.0210450 0.7228601), wk = 0.0024390 k( 294) = ( -0.2671091 1.0210450 0.7469554), wk = 0.0024390 k( 295) = ( -0.2671091 1.0210450 0.7710508), wk = 0.0024390 k( 296) = ( -0.2671091 1.0210450 0.7951461), wk = 0.0024390 k( 297) = ( -0.2671091 1.0210450 0.8192414), wk = 0.0024390 k( 298) = ( -0.2671091 1.0210450 0.8433368), wk = 0.0024390 k( 299) = ( -0.2671091 1.0210450 0.8674321), wk = 0.0024390 k( 300) = ( -0.2671091 1.0210450 0.8915274), wk = 0.0024390 k( 301) = ( -0.2671091 1.0210450 0.9156228), wk = 0.0024390 k( 302) = ( -0.2671091 1.0210450 0.9397181), wk = 0.0024390 k( 303) = ( -0.2671091 1.0210450 0.9638135), wk = 0.0024390 k( 304) = ( -0.2671091 1.0210450 0.9879088), wk = 0.0024390 k( 305) = ( -0.2671091 1.0210450 1.0120041), wk = 0.0024390 k( 306) = ( -0.2671091 1.0210450 1.0120041), wk = 0.0024390 k( 307) = ( -0.2732378 0.9976176 1.0120041), wk = 0.0024390 k( 308) = ( -0.2793665 0.9741901 1.0120041), wk = 0.0024390 k( 309) = ( -0.2854952 0.9507627 1.0120041), wk = 0.0024390 k( 310) = ( -0.2916240 0.9273352 1.0120041), wk = 0.0024390 k( 311) = ( -0.2977527 0.9039078 1.0120041), wk = 0.0024390 k( 312) = ( -0.3038814 0.8804803 1.0120041), wk = 0.0024390 k( 313) = ( -0.3100101 0.8570529 1.0120041), wk = 0.0024390 k( 314) = ( -0.3161388 0.8336254 1.0120041), wk = 0.0024390 k( 315) = ( -0.3222675 0.8101979 1.0120041), wk = 0.0024390 k( 316) = ( -0.3283962 0.7867705 1.0120041), wk = 0.0024390 k( 317) = ( -0.3345249 0.7633431 1.0120041), wk = 0.0024390 k( 318) = ( -0.3406536 0.7399156 1.0120041), wk = 0.0024390 k( 319) = ( -0.3467823 0.7164882 1.0120041), wk = 0.0024390 k( 320) = ( -0.3529110 0.6930607 1.0120041), wk = 0.0024390 k( 321) = ( -0.3590397 0.6696332 1.0120041), wk = 0.0024390 k( 322) = ( -0.3651684 0.6462058 1.0120041), wk = 0.0024390 k( 323) = ( -0.3712971 0.6227784 1.0120041), wk = 0.0024390 k( 324) = ( -0.3774259 0.5993509 1.0120041), wk = 0.0024390 k( 325) = ( -0.3835546 0.5759234 1.0120041), wk = 0.0024390 k( 326) = ( -0.3896833 0.5524960 1.0120041), wk = 0.0024390 k( 327) = ( -0.3958120 0.5290685 1.0120041), wk = 0.0024390 k( 328) = ( -0.4019407 0.5056411 1.0120041), wk = 0.0024390 k( 329) = ( -0.4080694 0.4822136 1.0120041), wk = 0.0024390 k( 330) = ( -0.4141981 0.4587862 1.0120041), wk = 0.0024390 k( 331) = ( -0.4203268 0.4353587 1.0120041), wk = 0.0024390 k( 332) = ( -0.4264555 0.4119313 1.0120041), wk = 0.0024390 k( 333) = ( -0.4325842 0.3885038 1.0120041), wk = 0.0024390 k( 334) = ( -0.4387129 0.3650763 1.0120041), wk = 0.0024390 k( 335) = ( -0.4448416 0.3416489 1.0120041), wk = 0.0024390 k( 336) = ( -0.4509703 0.3182215 1.0120041), wk = 0.0024390 k( 337) = ( -0.4570991 0.2947940 1.0120041), wk = 0.0024390 k( 338) = ( -0.4632278 0.2713665 1.0120041), wk = 0.0024390 k( 339) = ( -0.4693565 0.2479391 1.0120041), wk = 0.0024390 k( 340) = ( -0.4754852 0.2245116 1.0120041), wk = 0.0024390 k( 341) = ( -0.4816139 0.2010842 1.0120041), wk = 0.0024390 k( 342) = ( -0.4877426 0.1776567 1.0120041), wk = 0.0024390 k( 343) = ( -0.4938713 0.1542293 1.0120041), wk = 0.0024390 k( 344) = ( -0.5000000 0.1308018 1.0120041), wk = 0.0024390 k( 345) = ( -0.5000000 0.1308018 1.0120041), wk = 0.0024390 k( 346) = ( -0.5000000 0.1308018 0.9879088), wk = 0.0024390 k( 347) = ( -0.5000000 0.1308018 0.9638135), wk = 0.0024390 k( 348) = ( -0.5000000 0.1308018 0.9397181), wk = 0.0024390 k( 349) = ( -0.5000000 0.1308018 0.9156228), wk = 0.0024390 k( 350) = ( -0.5000000 0.1308018 0.8915274), wk = 0.0024390 k( 351) = ( -0.5000000 0.1308018 0.8674321), wk = 0.0024390 k( 352) = ( -0.5000000 0.1308018 0.8433368), wk = 0.0024390 k( 353) = ( -0.5000000 0.1308018 0.8192414), wk = 0.0024390 k( 354) = ( -0.5000000 0.1308018 0.7951461), wk = 0.0024390 k( 355) = ( -0.5000000 0.1308018 0.7710508), wk = 0.0024390 k( 356) = ( -0.5000000 0.1308018 0.7469554), wk = 0.0024390 k( 357) = ( -0.5000000 0.1308018 0.7228601), wk = 0.0024390 k( 358) = ( -0.5000000 0.1308018 0.6987648), wk = 0.0024390 k( 359) = ( -0.5000000 0.1308018 0.6746694), wk = 0.0024390 k( 360) = ( -0.5000000 0.1308018 0.6505741), wk = 0.0024390 k( 361) = ( -0.5000000 0.1308018 0.6264788), wk = 0.0024390 k( 362) = ( -0.5000000 0.1308018 0.6023834), wk = 0.0024390 k( 363) = ( -0.5000000 0.1308018 0.5782881), wk = 0.0024390 k( 364) = ( -0.5000000 0.1308018 0.5541927), wk = 0.0024390 k( 365) = ( -0.5000000 0.1308018 0.5300974), wk = 0.0024390 k( 366) = ( -0.5000000 0.1308018 0.5060021), wk = 0.0024390 k( 367) = ( -0.5000000 0.1308018 0.4819067), wk = 0.0024390 k( 368) = ( -0.5000000 0.1308018 0.4578114), wk = 0.0024390 k( 369) = ( -0.5000000 0.1308018 0.4337160), wk = 0.0024390 k( 370) = ( -0.5000000 0.1308018 0.4096207), wk = 0.0024390 k( 371) = ( -0.5000000 0.1308018 0.3855254), wk = 0.0024390 k( 372) = ( -0.5000000 0.1308018 0.3614301), wk = 0.0024390 k( 373) = ( -0.5000000 0.1308018 0.3373347), wk = 0.0024390 k( 374) = ( -0.5000000 0.1308018 0.3132394), wk = 0.0024390 k( 375) = ( -0.5000000 0.1308018 0.2891440), wk = 0.0024390 k( 376) = ( -0.5000000 0.1308018 0.2650487), wk = 0.0024390 k( 377) = ( -0.5000000 0.1308018 0.2409534), wk = 0.0024390 k( 378) = ( -0.5000000 0.1308018 0.2168580), wk = 0.0024390 k( 379) = ( -0.5000000 0.1308018 0.1927627), wk = 0.0024390 k( 380) = ( -0.5000000 0.1308018 0.1686673), wk = 0.0024390 k( 381) = ( -0.5000000 0.1308018 0.1445720), wk = 0.0024390 k( 382) = ( -0.5000000 0.1308018 0.1204767), wk = 0.0024390 k( 383) = ( -0.5000000 0.1308018 0.0963814), wk = 0.0024390 k( 384) = ( -0.5000000 0.1308018 0.0722860), wk = 0.0024390 k( 385) = ( -0.5000000 0.1308018 0.0481907), wk = 0.0024390 k( 386) = ( -0.5000000 0.1308018 0.0240953), wk = 0.0024390 k( 387) = ( -0.5000000 0.1308018 -0.0000000), wk = 0.0024390 k( 388) = ( 0.0000000 0.0000000 1.0120041), wk = 0.0024390 k( 389) = ( -0.0227273 0.0059455 1.0120041), wk = 0.0024390 k( 390) = ( -0.0454546 0.0118911 1.0120041), wk = 0.0024390 k( 391) = ( -0.0681818 0.0178366 1.0120041), wk = 0.0024390 k( 392) = ( -0.0909091 0.0237822 1.0120041), wk = 0.0024390 k( 393) = ( -0.1136364 0.0297277 1.0120041), wk = 0.0024390 k( 394) = ( -0.1363636 0.0356732 1.0120041), wk = 0.0024390 k( 395) = ( -0.1590909 0.0416188 1.0120041), wk = 0.0024390 k( 396) = ( -0.1818182 0.0475643 1.0120041), wk = 0.0024390 k( 397) = ( -0.2045454 0.0535098 1.0120041), wk = 0.0024390 k( 398) = ( -0.2272727 0.0594554 1.0120041), wk = 0.0024390 k( 399) = ( -0.2500000 0.0654009 1.0120041), wk = 0.0024390 k( 400) = ( -0.2727273 0.0713465 1.0120041), wk = 0.0024390 k( 401) = ( -0.2954545 0.0772920 1.0120041), wk = 0.0024390 k( 402) = ( -0.3181818 0.0832375 1.0120041), wk = 0.0024390 k( 403) = ( -0.3409091 0.0891831 1.0120041), wk = 0.0024390 k( 404) = ( -0.3636364 0.0951286 1.0120041), wk = 0.0024390 k( 405) = ( -0.3863636 0.1010741 1.0120041), wk = 0.0024390 k( 406) = ( -0.4090909 0.1070197 1.0120041), wk = 0.0024390 k( 407) = ( -0.4318182 0.1129652 1.0120041), wk = 0.0024390 k( 408) = ( -0.4545455 0.1189108 1.0120041), wk = 0.0024390 k( 409) = ( -0.4772727 0.1248563 1.0120041), wk = 0.0024390 k( 410) = ( -0.5000000 0.1308018 1.0120041), wk = 0.0024390 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0060707 0.0060707 -0.0000000), wk = 0.0024390 k( 3) = ( 0.0121413 0.0121413 -0.0000000), wk = 0.0024390 k( 4) = ( 0.0182120 0.0182120 0.0000000), wk = 0.0024390 k( 5) = ( 0.0242826 0.0242826 -0.0000000), wk = 0.0024390 k( 6) = ( 0.0303533 0.0303533 0.0000000), wk = 0.0024390 k( 7) = ( 0.0364240 0.0364240 0.0000000), wk = 0.0024390 k( 8) = ( 0.0424946 0.0424946 0.0000000), wk = 0.0024390 k( 9) = ( 0.0485653 0.0485653 -0.0000000), wk = 0.0024390 k( 10) = ( 0.0546360 0.0546360 -0.0000000), wk = 0.0024390 k( 11) = ( 0.0607066 0.0607066 0.0000000), wk = 0.0024390 k( 12) = ( 0.0667773 0.0667773 -0.0000000), wk = 0.0024390 k( 13) = ( 0.0728479 0.0728479 0.0000000), wk = 0.0024390 k( 14) = ( 0.0789186 0.0789186 -0.0000000), wk = 0.0024390 k( 15) = ( 0.0849893 0.0849893 0.0000000), wk = 0.0024390 k( 16) = ( 0.0910599 0.0910599 0.0000000), wk = 0.0024390 k( 17) = ( 0.0971306 0.0971306 0.0000000), wk = 0.0024390 k( 18) = ( 0.1032012 0.1032012 -0.0000000), wk = 0.0024390 k( 19) = ( 0.1092719 0.1092719 0.0000000), wk = 0.0024390 k( 20) = ( 0.1153426 0.1153426 -0.0000000), wk = 0.0024390 k( 21) = ( 0.1214132 0.1214132 0.0000000), wk = 0.0024390 k( 22) = ( 0.1274839 0.1274839 0.0000000), wk = 0.0024390 k( 23) = ( 0.1335546 0.1335546 -0.0000000), wk = 0.0024390 k( 24) = ( 0.1396252 0.1396252 0.0000000), wk = 0.0024390 k( 25) = ( 0.1456959 0.1456959 0.0000000), wk = 0.0024390 k( 26) = ( 0.1517665 0.1517665 0.0000000), wk = 0.0024390 k( 27) = ( 0.1578372 0.1578372 0.0000000), wk = 0.0024390 k( 28) = ( 0.1639079 0.1639079 -0.0000000), wk = 0.0024390 k( 29) = ( 0.1699785 0.1699785 0.0000000), wk = 0.0024390 k( 30) = ( 0.1760492 0.1760492 0.0000000), wk = 0.0024390 k( 31) = ( 0.1821198 0.1821198 -0.0000000), wk = 0.0024390 k( 32) = ( 0.1881905 0.1881905 -0.0000000), wk = 0.0024390 k( 33) = ( 0.1942612 0.1942612 0.0000000), wk = 0.0024390 k( 34) = ( 0.2003318 0.2003318 0.0000000), wk = 0.0024390 k( 35) = ( 0.2064025 0.2064025 -0.0000000), wk = 0.0024390 k( 36) = ( 0.2124732 0.2124732 0.0000000), wk = 0.0024390 k( 37) = ( 0.2185438 0.2185438 0.0000000), wk = 0.0024390 k( 38) = ( 0.2246145 0.2246145 0.0000000), wk = 0.0024390 k( 39) = ( 0.2306852 0.2306851 0.0000000), wk = 0.0024390 k( 40) = ( 0.2367558 0.2367558 0.0000000), wk = 0.0024390 k( 41) = ( 0.2428265 0.2428265 0.0000000), wk = 0.0024390 k( 42) = ( 0.2488971 0.2488971 0.0000000), wk = 0.0024390 k( 43) = ( 0.2549678 0.2549678 0.0000000), wk = 0.0024390 k( 44) = ( 0.2610385 0.2610385 0.0000000), wk = 0.0024390 k( 45) = ( 0.2671091 0.2671091 -0.0000000), wk = 0.0024390 k( 46) = ( 0.2671091 0.2671091 -0.0000000), wk = 0.0024390 k( 47) = ( 0.2428265 0.2882810 0.0000000), wk = 0.0024390 k( 48) = ( 0.2185438 0.3094529 0.0000000), wk = 0.0024390 k( 49) = ( 0.1942612 0.3306248 0.0000000), wk = 0.0024390 k( 50) = ( 0.1699785 0.3517967 -0.0000000), wk = 0.0024390 k( 51) = ( 0.1456959 0.3729686 0.0000000), wk = 0.0024390 k( 52) = ( 0.1214132 0.3941405 -0.0000000), wk = 0.0024390 k( 53) = ( 0.0971306 0.4153124 0.0000000), wk = 0.0024390 k( 54) = ( 0.0728479 0.4364843 0.0000000), wk = 0.0024390 k( 55) = ( 0.0485653 0.4576562 -0.0000000), wk = 0.0024390 k( 56) = ( 0.0242826 0.4788281 -0.0000000), wk = 0.0024390 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024390 k( 58) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024390 k( 59) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0024390 k( 60) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0024390 k( 61) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0024390 k( 62) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0024390 k( 63) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0024390 k( 64) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024390 k( 65) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0024390 k( 66) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0024390 k( 67) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0024390 k( 68) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0024390 k( 69) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0024390 k( 70) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024390 k( 71) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0024390 k( 72) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024390 k( 73) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0024390 k( 74) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0024390 k( 75) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0024390 k( 76) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024390 k( 77) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0024390 k( 78) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0024390 k( 79) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024390 k( 80) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0024390 k( 81) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0024390 k( 82) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024390 k( 83) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0024390 k( 84) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0024390 k( 85) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0024390 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024390 k( 87) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0024390 k( 88) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024390 k( 89) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0024390 k( 90) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0024390 k( 91) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0024390 k( 92) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0024390 k( 93) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0024390 k( 94) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024390 k( 95) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0024390 k( 96) = ( 0.0000000 0.5000000 0.4523809), wk = 0.0024390 k( 97) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0024390 k( 98) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0024390 k( 99) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0024390 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024390 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024390 k( 102) = ( 0.0242826 0.4788281 0.5000000), wk = 0.0024390 k( 103) = ( 0.0485653 0.4576562 0.5000000), wk = 0.0024390 k( 104) = ( 0.0728479 0.4364843 0.5000000), wk = 0.0024390 k( 105) = ( 0.0971306 0.4153124 0.5000000), wk = 0.0024390 k( 106) = ( 0.1214132 0.3941405 0.5000000), wk = 0.0024390 k( 107) = ( 0.1456959 0.3729686 0.5000000), wk = 0.0024390 k( 108) = ( 0.1699785 0.3517967 0.5000000), wk = 0.0024390 k( 109) = ( 0.1942612 0.3306248 0.5000000), wk = 0.0024390 k( 110) = ( 0.2185438 0.3094529 0.5000000), wk = 0.0024390 k( 111) = ( 0.2428265 0.2882810 0.5000000), wk = 0.0024390 k( 112) = ( 0.2671091 0.2671091 0.5000000), wk = 0.0024390 k( 113) = ( 0.2671091 0.2671091 0.5000000), wk = 0.0024390 k( 114) = ( 0.2610385 0.2610385 0.5000000), wk = 0.0024390 k( 115) = ( 0.2549678 0.2549678 0.5000000), wk = 0.0024390 k( 116) = ( 0.2488971 0.2488971 0.5000000), wk = 0.0024390 k( 117) = ( 0.2428265 0.2428265 0.5000000), wk = 0.0024390 k( 118) = ( 0.2367558 0.2367558 0.5000000), wk = 0.0024390 k( 119) = ( 0.2306852 0.2306851 0.5000000), wk = 0.0024390 k( 120) = ( 0.2246145 0.2246145 0.5000000), wk = 0.0024390 k( 121) = ( 0.2185438 0.2185438 0.5000000), wk = 0.0024390 k( 122) = ( 0.2124732 0.2124732 0.5000000), wk = 0.0024390 k( 123) = ( 0.2064025 0.2064025 0.5000000), wk = 0.0024390 k( 124) = ( 0.2003318 0.2003318 0.5000000), wk = 0.0024390 k( 125) = ( 0.1942612 0.1942612 0.5000000), wk = 0.0024390 k( 126) = ( 0.1881905 0.1881905 0.5000000), wk = 0.0024390 k( 127) = ( 0.1821198 0.1821198 0.5000000), wk = 0.0024390 k( 128) = ( 0.1760492 0.1760492 0.5000000), wk = 0.0024390 k( 129) = ( 0.1699785 0.1699785 0.5000000), wk = 0.0024390 k( 130) = ( 0.1639079 0.1639079 0.5000000), wk = 0.0024390 k( 131) = ( 0.1578372 0.1578372 0.5000000), wk = 0.0024390 k( 132) = ( 0.1517665 0.1517665 0.5000000), wk = 0.0024390 k( 133) = ( 0.1456959 0.1456959 0.5000000), wk = 0.0024390 k( 134) = ( 0.1396252 0.1396252 0.5000000), wk = 0.0024390 k( 135) = ( 0.1335546 0.1335546 0.5000000), wk = 0.0024390 k( 136) = ( 0.1274839 0.1274839 0.5000000), wk = 0.0024390 k( 137) = ( 0.1214132 0.1214132 0.5000000), wk = 0.0024390 k( 138) = ( 0.1153426 0.1153426 0.5000000), wk = 0.0024390 k( 139) = ( 0.1092719 0.1092719 0.5000000), wk = 0.0024390 k( 140) = ( 0.1032012 0.1032012 0.5000000), wk = 0.0024390 k( 141) = ( 0.0971306 0.0971306 0.5000000), wk = 0.0024390 k( 142) = ( 0.0910599 0.0910599 0.5000000), wk = 0.0024390 k( 143) = ( 0.0849893 0.0849893 0.5000000), wk = 0.0024390 k( 144) = ( 0.0789186 0.0789186 0.5000000), wk = 0.0024390 k( 145) = ( 0.0728479 0.0728479 0.5000000), wk = 0.0024390 k( 146) = ( 0.0667773 0.0667773 0.5000000), wk = 0.0024390 k( 147) = ( 0.0607066 0.0607066 0.5000000), wk = 0.0024390 k( 148) = ( 0.0546360 0.0546360 0.5000000), wk = 0.0024390 k( 149) = ( 0.0485653 0.0485653 0.5000000), wk = 0.0024390 k( 150) = ( 0.0424946 0.0424946 0.5000000), wk = 0.0024390 k( 151) = ( 0.0364240 0.0364240 0.5000000), wk = 0.0024390 k( 152) = ( 0.0303533 0.0303533 0.5000000), wk = 0.0024390 k( 153) = ( 0.0242826 0.0242826 0.5000000), wk = 0.0024390 k( 154) = ( 0.0182120 0.0182120 0.5000000), wk = 0.0024390 k( 155) = ( 0.0121413 0.0121413 0.5000000), wk = 0.0024390 k( 156) = ( 0.0060707 0.0060707 0.5000000), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.2976191), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0024390 k( 184) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0024390 k( 185) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0024390 k( 186) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024390 k( 187) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0024390 k( 188) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024390 k( 189) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0024390 k( 190) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0024390 k( 191) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0024390 k( 192) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0024390 k( 193) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024390 k( 194) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024390 k( 195) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0024390 k( 196) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0024390 k( 197) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0024390 k( 198) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0024390 k( 199) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0024390 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 202) = ( -0.0227273 0.0227273 0.0000000), wk = 0.0024390 k( 203) = ( -0.0454546 0.0454546 0.0000000), wk = 0.0024390 k( 204) = ( -0.0681818 0.0681818 0.0000000), wk = 0.0024390 k( 205) = ( -0.0909091 0.0909091 0.0000000), wk = 0.0024390 k( 206) = ( -0.1136364 0.1136364 -0.0000000), wk = 0.0024390 k( 207) = ( -0.1363636 0.1363636 0.0000000), wk = 0.0024390 k( 208) = ( -0.1590909 0.1590909 0.0000000), wk = 0.0024390 k( 209) = ( -0.1818182 0.1818182 0.0000000), wk = 0.0024390 k( 210) = ( -0.2045454 0.2045454 -0.0000000), wk = 0.0024390 k( 211) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0024390 k( 212) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0024390 k( 213) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0024390 k( 214) = ( -0.2954545 0.2954545 0.0000000), wk = 0.0024390 k( 215) = ( -0.3181818 0.3181818 0.0000000), wk = 0.0024390 k( 216) = ( -0.3409091 0.3409091 0.0000000), wk = 0.0024390 k( 217) = ( -0.3636364 0.3636364 0.0000000), wk = 0.0024390 k( 218) = ( -0.3863636 0.3863636 -0.0000000), wk = 0.0024390 k( 219) = ( -0.4090909 0.4090909 -0.0000000), wk = 0.0024390 k( 220) = ( -0.4318182 0.4318182 -0.0000000), wk = 0.0024390 k( 221) = ( -0.4545455 0.4545455 -0.0000000), wk = 0.0024390 k( 222) = ( -0.4772727 0.4772727 -0.0000000), wk = 0.0024390 k( 223) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024390 k( 224) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024390 k( 225) = ( -0.4938713 0.5061287 -0.0000000), wk = 0.0024390 k( 226) = ( -0.4877426 0.5122574 -0.0000000), wk = 0.0024390 k( 227) = ( -0.4816139 0.5183861 0.0000000), wk = 0.0024390 k( 228) = ( -0.4754852 0.5245148 -0.0000000), wk = 0.0024390 k( 229) = ( -0.4693565 0.5306435 -0.0000000), wk = 0.0024390 k( 230) = ( -0.4632278 0.5367722 -0.0000000), wk = 0.0024390 k( 231) = ( -0.4570991 0.5429010 -0.0000000), wk = 0.0024390 k( 232) = ( -0.4509703 0.5490297 -0.0000000), wk = 0.0024390 k( 233) = ( -0.4448416 0.5551584 -0.0000000), wk = 0.0024390 k( 234) = ( -0.4387129 0.5612871 -0.0000000), wk = 0.0024390 k( 235) = ( -0.4325842 0.5674158 -0.0000000), wk = 0.0024390 k( 236) = ( -0.4264555 0.5735445 0.0000000), wk = 0.0024390 k( 237) = ( -0.4203268 0.5796732 -0.0000000), wk = 0.0024390 k( 238) = ( -0.4141981 0.5858019 0.0000000), wk = 0.0024390 k( 239) = ( -0.4080694 0.5919306 -0.0000000), wk = 0.0024390 k( 240) = ( -0.4019407 0.5980593 -0.0000000), wk = 0.0024390 k( 241) = ( -0.3958120 0.6041880 -0.0000000), wk = 0.0024390 k( 242) = ( -0.3896833 0.6103167 -0.0000000), wk = 0.0024390 k( 243) = ( -0.3835546 0.6164454 0.0000000), wk = 0.0024390 k( 244) = ( -0.3774259 0.6225741 0.0000000), wk = 0.0024390 k( 245) = ( -0.3712971 0.6287029 0.0000000), wk = 0.0024390 k( 246) = ( -0.3651684 0.6348316 -0.0000000), wk = 0.0024390 k( 247) = ( -0.3590397 0.6409603 -0.0000000), wk = 0.0024390 k( 248) = ( -0.3529110 0.6470890 0.0000000), wk = 0.0024390 k( 249) = ( -0.3467823 0.6532177 0.0000000), wk = 0.0024390 k( 250) = ( -0.3406536 0.6593464 0.0000000), wk = 0.0024390 k( 251) = ( -0.3345249 0.6654751 -0.0000000), wk = 0.0024390 k( 252) = ( -0.3283962 0.6716038 -0.0000000), wk = 0.0024390 k( 253) = ( -0.3222675 0.6777325 -0.0000000), wk = 0.0024390 k( 254) = ( -0.3161388 0.6838612 -0.0000000), wk = 0.0024390 k( 255) = ( -0.3100101 0.6899899 0.0000000), wk = 0.0024390 k( 256) = ( -0.3038814 0.6961186 0.0000000), wk = 0.0024390 k( 257) = ( -0.2977527 0.7022473 0.0000000), wk = 0.0024390 k( 258) = ( -0.2916240 0.7083761 0.0000000), wk = 0.0024390 k( 259) = ( -0.2854952 0.7145048 0.0000000), wk = 0.0024390 k( 260) = ( -0.2793665 0.7206335 -0.0000000), wk = 0.0024390 k( 261) = ( -0.2732378 0.7267622 -0.0000000), wk = 0.0024390 k( 262) = ( -0.2671091 0.7328909 0.0000000), wk = 0.0024390 k( 263) = ( -0.2671091 0.7328909 0.0000000), wk = 0.0024390 k( 264) = ( -0.2671091 0.7328909 0.0119048), wk = 0.0024390 k( 265) = ( -0.2671091 0.7328909 0.0238095), wk = 0.0024390 k( 266) = ( -0.2671091 0.7328909 0.0357143), wk = 0.0024390 k( 267) = ( -0.2671091 0.7328909 0.0476191), wk = 0.0024390 k( 268) = ( -0.2671091 0.7328909 0.0595238), wk = 0.0024390 k( 269) = ( -0.2671091 0.7328909 0.0714286), wk = 0.0024390 k( 270) = ( -0.2671091 0.7328909 0.0833333), wk = 0.0024390 k( 271) = ( -0.2671091 0.7328909 0.0952381), wk = 0.0024390 k( 272) = ( -0.2671091 0.7328909 0.1071429), wk = 0.0024390 k( 273) = ( -0.2671091 0.7328909 0.1190476), wk = 0.0024390 k( 274) = ( -0.2671091 0.7328909 0.1309524), wk = 0.0024390 k( 275) = ( -0.2671091 0.7328909 0.1428571), wk = 0.0024390 k( 276) = ( -0.2671091 0.7328909 0.1547619), wk = 0.0024390 k( 277) = ( -0.2671091 0.7328909 0.1666667), wk = 0.0024390 k( 278) = ( -0.2671091 0.7328909 0.1785714), wk = 0.0024390 k( 279) = ( -0.2671091 0.7328909 0.1904762), wk = 0.0024390 k( 280) = ( -0.2671091 0.7328909 0.2023809), wk = 0.0024390 k( 281) = ( -0.2671091 0.7328909 0.2142857), wk = 0.0024390 k( 282) = ( -0.2671091 0.7328909 0.2261905), wk = 0.0024390 k( 283) = ( -0.2671091 0.7328909 0.2380952), wk = 0.0024390 k( 284) = ( -0.2671091 0.7328909 0.2500000), wk = 0.0024390 k( 285) = ( -0.2671091 0.7328909 0.2619048), wk = 0.0024390 k( 286) = ( -0.2671091 0.7328909 0.2738095), wk = 0.0024390 k( 287) = ( -0.2671091 0.7328909 0.2857143), wk = 0.0024390 k( 288) = ( -0.2671091 0.7328909 0.2976191), wk = 0.0024390 k( 289) = ( -0.2671091 0.7328909 0.3095238), wk = 0.0024390 k( 290) = ( -0.2671091 0.7328909 0.3214286), wk = 0.0024390 k( 291) = ( -0.2671091 0.7328909 0.3333333), wk = 0.0024390 k( 292) = ( -0.2671091 0.7328909 0.3452381), wk = 0.0024390 k( 293) = ( -0.2671091 0.7328909 0.3571429), wk = 0.0024390 k( 294) = ( -0.2671091 0.7328909 0.3690476), wk = 0.0024390 k( 295) = ( -0.2671091 0.7328909 0.3809524), wk = 0.0024390 k( 296) = ( -0.2671091 0.7328909 0.3928571), wk = 0.0024390 k( 297) = ( -0.2671091 0.7328909 0.4047619), wk = 0.0024390 k( 298) = ( -0.2671091 0.7328909 0.4166667), wk = 0.0024390 k( 299) = ( -0.2671091 0.7328909 0.4285714), wk = 0.0024390 k( 300) = ( -0.2671091 0.7328909 0.4404762), wk = 0.0024390 k( 301) = ( -0.2671091 0.7328909 0.4523810), wk = 0.0024390 k( 302) = ( -0.2671091 0.7328909 0.4642857), wk = 0.0024390 k( 303) = ( -0.2671091 0.7328909 0.4761905), wk = 0.0024390 k( 304) = ( -0.2671091 0.7328909 0.4880952), wk = 0.0024390 k( 305) = ( -0.2671091 0.7328909 0.5000000), wk = 0.0024390 k( 306) = ( -0.2671091 0.7328909 0.5000000), wk = 0.0024390 k( 307) = ( -0.2732378 0.7267622 0.5000000), wk = 0.0024390 k( 308) = ( -0.2793665 0.7206335 0.5000000), wk = 0.0024390 k( 309) = ( -0.2854952 0.7145048 0.5000000), wk = 0.0024390 k( 310) = ( -0.2916240 0.7083761 0.5000000), wk = 0.0024390 k( 311) = ( -0.2977527 0.7022473 0.5000000), wk = 0.0024390 k( 312) = ( -0.3038814 0.6961186 0.5000000), wk = 0.0024390 k( 313) = ( -0.3100101 0.6899899 0.5000000), wk = 0.0024390 k( 314) = ( -0.3161388 0.6838612 0.5000000), wk = 0.0024390 k( 315) = ( -0.3222675 0.6777325 0.5000000), wk = 0.0024390 k( 316) = ( -0.3283962 0.6716038 0.5000000), wk = 0.0024390 k( 317) = ( -0.3345249 0.6654751 0.5000000), wk = 0.0024390 k( 318) = ( -0.3406536 0.6593464 0.5000000), wk = 0.0024390 k( 319) = ( -0.3467823 0.6532177 0.5000000), wk = 0.0024390 k( 320) = ( -0.3529110 0.6470890 0.5000000), wk = 0.0024390 k( 321) = ( -0.3590397 0.6409603 0.5000000), wk = 0.0024390 k( 322) = ( -0.3651684 0.6348316 0.5000000), wk = 0.0024390 k( 323) = ( -0.3712971 0.6287029 0.5000000), wk = 0.0024390 k( 324) = ( -0.3774259 0.6225741 0.5000000), wk = 0.0024390 k( 325) = ( -0.3835546 0.6164454 0.5000000), wk = 0.0024390 k( 326) = ( -0.3896833 0.6103167 0.5000000), wk = 0.0024390 k( 327) = ( -0.3958120 0.6041880 0.5000000), wk = 0.0024390 k( 328) = ( -0.4019407 0.5980593 0.5000000), wk = 0.0024390 k( 329) = ( -0.4080694 0.5919306 0.5000000), wk = 0.0024390 k( 330) = ( -0.4141981 0.5858019 0.5000000), wk = 0.0024390 k( 331) = ( -0.4203268 0.5796732 0.5000000), wk = 0.0024390 k( 332) = ( -0.4264555 0.5735445 0.5000000), wk = 0.0024390 k( 333) = ( -0.4325842 0.5674158 0.5000000), wk = 0.0024390 k( 334) = ( -0.4387129 0.5612871 0.5000000), wk = 0.0024390 k( 335) = ( -0.4448416 0.5551584 0.5000000), wk = 0.0024390 k( 336) = ( -0.4509703 0.5490297 0.5000000), wk = 0.0024390 k( 337) = ( -0.4570991 0.5429010 0.5000000), wk = 0.0024390 k( 338) = ( -0.4632278 0.5367722 0.5000000), wk = 0.0024390 k( 339) = ( -0.4693565 0.5306435 0.5000000), wk = 0.0024390 k( 340) = ( -0.4754852 0.5245148 0.5000000), wk = 0.0024390 k( 341) = ( -0.4816139 0.5183861 0.5000000), wk = 0.0024390 k( 342) = ( -0.4877426 0.5122574 0.5000000), wk = 0.0024390 k( 343) = ( -0.4938713 0.5061287 0.5000000), wk = 0.0024390 k( 344) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024390 k( 345) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024390 k( 346) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0024390 k( 347) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0024390 k( 348) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0024390 k( 349) = ( -0.5000000 0.5000000 0.4523810), wk = 0.0024390 k( 350) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0024390 k( 351) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0024390 k( 352) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0024390 k( 353) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0024390 k( 354) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0024390 k( 355) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0024390 k( 356) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0024390 k( 357) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0024390 k( 358) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0024390 k( 359) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0024390 k( 360) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0024390 k( 361) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0024390 k( 362) = ( -0.5000000 0.5000000 0.2976191), wk = 0.0024390 k( 363) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0024390 k( 364) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0024390 k( 365) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0024390 k( 366) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024390 k( 367) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0024390 k( 368) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0024390 k( 369) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0024390 k( 370) = ( -0.5000000 0.5000000 0.2023810), wk = 0.0024390 k( 371) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0024390 k( 372) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0024390 k( 373) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0024390 k( 374) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0024390 k( 375) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0024390 k( 376) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0024390 k( 377) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0024390 k( 378) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0024390 k( 379) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0024390 k( 380) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0024390 k( 381) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0024390 k( 382) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0024390 k( 383) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0024390 k( 384) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0024390 k( 385) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0024390 k( 386) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0024390 k( 387) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024390 k( 388) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 389) = ( -0.0227273 0.0227273 0.5000000), wk = 0.0024390 k( 390) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0024390 k( 391) = ( -0.0681818 0.0681818 0.5000000), wk = 0.0024390 k( 392) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0024390 k( 393) = ( -0.1136364 0.1136364 0.5000000), wk = 0.0024390 k( 394) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0024390 k( 395) = ( -0.1590909 0.1590909 0.5000000), wk = 0.0024390 k( 396) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0024390 k( 397) = ( -0.2045454 0.2045454 0.5000000), wk = 0.0024390 k( 398) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0024390 k( 399) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024390 k( 400) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0024390 k( 401) = ( -0.2954545 0.2954545 0.5000000), wk = 0.0024390 k( 402) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0024390 k( 403) = ( -0.3409091 0.3409091 0.5000000), wk = 0.0024390 k( 404) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0024390 k( 405) = ( -0.3863636 0.3863636 0.5000000), wk = 0.0024390 k( 406) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0024390 k( 407) = ( -0.4318182 0.4318182 0.5000000), wk = 0.0024390 k( 408) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0024390 k( 409) = ( -0.4772727 0.4772727 0.5000000), wk = 0.0024390 k( 410) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024390 Dense grid: 100803 G-vectors FFT dimensions: ( 96, 96, 45) Smooth grid: 36423 G-vectors FFT dimensions: ( 72, 72, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 200, 46) NL pseudopotentials 0.19 Mb ( 100, 124) Each V/rho on FFT grid 0.14 Mb ( 9216) Each G-vector array 0.02 Mb ( 2101) G-vector shells 0.01 Mb ( 1085) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 200, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.17 Mb ( 124, 2, 46) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScGe2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.9 secs Computing kpt #: 2 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 51.6 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.4 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.8 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.3 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.6 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.4 secs Computing kpt #: 8 total cpu time spent up to now is 78.7 secs Computing kpt #: 9 total cpu time spent up to now is 82.9 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 87.5 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.0 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.2 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.5 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.3 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.4 secs Computing kpt #: 16 total cpu time spent up to now is 113.6 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.1 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.3 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.5 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.6 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.7 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 139.0 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.2 secs Computing kpt #: 24 total cpu time spent up to now is 147.1 secs Computing kpt #: 25 total cpu time spent up to now is 150.1 secs Computing kpt #: 26 total cpu time spent up to now is 153.5 secs Computing kpt #: 27 total cpu time spent up to now is 156.6 secs Computing kpt #: 28 total cpu time spent up to now is 159.9 secs Computing kpt #: 29 total cpu time spent up to now is 163.3 secs Computing kpt #: 30 total cpu time spent up to now is 167.7 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.1 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.2 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.5 secs Computing kpt #: 34 total cpu time spent up to now is 183.6 secs Computing kpt #: 35 total cpu time spent up to now is 186.7 secs Computing kpt #: 36 total cpu time spent up to now is 189.3 secs Computing kpt #: 37 total cpu time spent up to now is 191.9 secs Computing kpt #: 38 total cpu time spent up to now is 194.7 secs Computing kpt #: 39 total cpu time spent up to now is 198.0 secs Computing kpt #: 40 total cpu time spent up to now is 201.3 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.1 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.5 secs Computing kpt #: 43 total cpu time spent up to now is 214.2 secs Computing kpt #: 44 total cpu time spent up to now is 217.1 secs Computing kpt #: 45 total cpu time spent up to now is 219.8 secs Computing kpt #: 46 total cpu time spent up to now is 222.7 secs Computing kpt #: 47 total cpu time spent up to now is 225.5 secs Computing kpt #: 48 total cpu time spent up to now is 228.5 secs Computing kpt #: 49 total cpu time spent up to now is 231.4 secs Computing kpt #: 50 total cpu time spent up to now is 234.4 secs Computing kpt #: 51 total cpu time spent up to now is 237.9 secs Computing kpt #: 52 total cpu time spent up to now is 241.4 secs Computing kpt #: 53 total cpu time spent up to now is 244.8 secs Computing kpt #: 54 total cpu time spent up to now is 248.0 secs Computing kpt #: 55 total cpu time spent up to now is 251.4 secs Computing kpt #: 56 total cpu time spent up to now is 254.5 secs Computing kpt #: 57 total cpu time spent up to now is 257.5 secs Computing kpt #: 58 total cpu time spent up to now is 260.7 secs Computing kpt #: 59 total cpu time spent up to now is 264.3 secs Computing kpt #: 60 total cpu time spent up to now is 267.5 secs Computing kpt #: 61 total cpu time spent up to now is 270.8 secs Computing kpt #: 62 total cpu time spent up to now is 274.3 secs Computing kpt #: 63 total cpu time spent up to now is 277.7 secs Computing kpt #: 64 total cpu time spent up to now is 281.0 secs Computing kpt #: 65 total cpu time spent up to now is 284.5 secs Computing kpt #: 66 total cpu time spent up to now is 287.9 secs Computing kpt #: 67 total cpu time spent up to now is 291.3 secs Computing kpt #: 68 total cpu time spent up to now is 294.8 secs Computing kpt #: 69 total cpu time spent up to now is 298.0 secs Computing kpt #: 70 total cpu time spent up to now is 301.8 secs Computing kpt #: 71 total cpu time spent up to now is 305.2 secs Computing kpt #: 72 total cpu time spent up to now is 308.8 secs Computing kpt #: 73 total cpu time spent up to now is 312.6 secs Computing kpt #: 74 total cpu time spent up to now is 316.4 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.4 secs Computing kpt #: 76 total cpu time spent up to now is 324.2 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 328.2 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.2 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.5 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 340.6 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 344.9 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 349.2 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.6 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.9 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.0 secs Computing kpt #: 86 total cpu time spent up to now is 366.3 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.5 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 375.9 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.3 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.6 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 389.5 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.8 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 402.7 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 407.2 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 411.7 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.9 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.4 secs Computing kpt #: 100 total cpu time spent up to now is 428.9 secs Computing kpt #: 101 total cpu time spent up to now is 432.7 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.6 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.3 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 450.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 460.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 465.0 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.5 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 474.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 478.8 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.2 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 487.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 492.5 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.4 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.6 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.2 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 514.5 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.7 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 522.9 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 526.9 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 535.0 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.4 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 543.5 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 547.5 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 551.8 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.9 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 560.0 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.2 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 568.3 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.3 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.4 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 580.4 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 584.6 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 588.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 592.6 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 596.6 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.0 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.0 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 609.1 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 613.2 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 617.3 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 621.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.6 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 629.7 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.8 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 638.0 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 642.1 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 646.7 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 651.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.2 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 659.5 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.6 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 667.6 secs Computing kpt #: 157 total cpu time spent up to now is 670.2 secs Computing kpt #: 158 total cpu time spent up to now is 673.0 secs Computing kpt #: 159 total cpu time spent up to now is 675.6 secs Computing kpt #: 160 total cpu time spent up to now is 677.9 secs Computing kpt #: 161 total cpu time spent up to now is 680.2 secs Computing kpt #: 162 total cpu time spent up to now is 682.5 secs Computing kpt #: 163 total cpu time spent up to now is 684.8 secs Computing kpt #: 164 total cpu time spent up to now is 686.9 secs Computing kpt #: 165 total cpu time spent up to now is 689.0 secs Computing kpt #: 166 total cpu time spent up to now is 691.2 secs Computing kpt #: 167 total cpu time spent up to now is 693.8 secs Computing kpt #: 168 total cpu time spent up to now is 696.9 secs Computing kpt #: 169 total cpu time spent up to now is 699.5 secs Computing kpt #: 170 total cpu time spent up to now is 702.7 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 707.2 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 711.2 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 715.4 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.4 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 723.5 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 727.5 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 731.9 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 736.0 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 740.0 secs Computing kpt #: 180 total cpu time spent up to now is 743.8 secs Computing kpt #: 181 total cpu time spent up to now is 747.8 secs Computing kpt #: 182 total cpu time spent up to now is 751.9 secs Computing kpt #: 183 total cpu time spent up to now is 755.2 secs Computing kpt #: 184 total cpu time spent up to now is 757.8 secs Computing kpt #: 185 total cpu time spent up to now is 760.6 secs Computing kpt #: 186 total cpu time spent up to now is 763.7 secs Computing kpt #: 187 total cpu time spent up to now is 766.5 secs Computing kpt #: 188 total cpu time spent up to now is 769.1 secs Computing kpt #: 189 total cpu time spent up to now is 771.7 secs Computing kpt #: 190 total cpu time spent up to now is 774.4 secs Computing kpt #: 191 total cpu time spent up to now is 777.1 secs Computing kpt #: 192 total cpu time spent up to now is 779.5 secs Computing kpt #: 193 total cpu time spent up to now is 781.9 secs Computing kpt #: 194 total cpu time spent up to now is 784.9 secs Computing kpt #: 195 total cpu time spent up to now is 788.0 secs Computing kpt #: 196 total cpu time spent up to now is 791.1 secs Computing kpt #: 197 total cpu time spent up to now is 794.1 secs Computing kpt #: 198 total cpu time spent up to now is 798.3 secs Computing kpt #: 199 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 802.9 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 808.4 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 812.7 secs Computing kpt #: 202 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 817.3 secs Computing kpt #: 203 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 822.2 secs Computing kpt #: 204 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 827.5 secs Computing kpt #: 205 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 832.2 secs Computing kpt #: 206 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 837.1 secs Computing kpt #: 207 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 841.9 secs Computing kpt #: 208 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 846.8 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 851.4 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 855.9 secs Computing kpt #: 211 total cpu time spent up to now is 860.3 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 864.8 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 869.2 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 874.5 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 879.4 secs Computing kpt #: 216 total cpu time spent up to now is 883.9 secs Computing kpt #: 217 total cpu time spent up to now is 888.0 secs Computing kpt #: 218 total cpu time spent up to now is 891.5 secs Computing kpt #: 219 total cpu time spent up to now is 895.5 secs Computing kpt #: 220 total cpu time spent up to now is 899.1 secs Computing kpt #: 221 total cpu time spent up to now is 903.0 secs Computing kpt #: 222 total cpu time spent up to now is 906.3 secs Computing kpt #: 223 total cpu time spent up to now is 910.3 secs Computing kpt #: 224 total cpu time spent up to now is 913.7 secs Computing kpt #: 225 total cpu time spent up to now is 918.0 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 922.4 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 926.7 secs Computing kpt #: 228 total cpu time spent up to now is 930.2 secs Computing kpt #: 229 total cpu time spent up to now is 933.0 secs Computing kpt #: 230 total cpu time spent up to now is 935.9 secs Computing kpt #: 231 total cpu time spent up to now is 939.1 secs Computing kpt #: 232 total cpu time spent up to now is 942.0 secs Computing kpt #: 233 total cpu time spent up to now is 944.8 secs Computing kpt #: 234 total cpu time spent up to now is 948.1 secs Computing kpt #: 235 total cpu time spent up to now is 951.3 secs Computing kpt #: 236 total cpu time spent up to now is 954.4 secs Computing kpt #: 237 total cpu time spent up to now is 958.3 secs Computing kpt #: 238 total cpu time spent up to now is 961.5 secs Computing kpt #: 239 total cpu time spent up to now is 964.5 secs Computing kpt #: 240 total cpu time spent up to now is 967.2 secs Computing kpt #: 241 total cpu time spent up to now is 969.9 secs Computing kpt #: 242 total cpu time spent up to now is 973.0 secs Computing kpt #: 243 total cpu time spent up to now is 975.1 secs Computing kpt #: 244 total cpu time spent up to now is 977.2 secs Computing kpt #: 245 total cpu time spent up to now is 979.4 secs Computing kpt #: 246 total cpu time spent up to now is 981.8 secs Computing kpt #: 247 total cpu time spent up to now is 984.2 secs Computing kpt #: 248 total cpu time spent up to now is 986.3 secs Computing kpt #: 249 total cpu time spent up to now is 988.5 secs Computing kpt #: 250 total cpu time spent up to now is 990.7 secs Computing kpt #: 251 total cpu time spent up to now is 993.2 secs Computing kpt #: 252 total cpu time spent up to now is 995.6 secs Computing kpt #: 253 total cpu time spent up to now is 998.0 secs Computing kpt #: 254 total cpu time spent up to now is 1000.9 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.0 secs Computing kpt #: 256 total cpu time spent up to now is 1008.8 secs Computing kpt #: 257 total cpu time spent up to now is 1011.8 secs Computing kpt #: 258 total cpu time spent up to now is 1014.6 secs Computing kpt #: 259 total cpu time spent up to now is 1017.4 secs Computing kpt #: 260 total cpu time spent up to now is 1020.5 secs Computing kpt #: 261 total cpu time spent up to now is 1023.1 secs Computing kpt #: 262 total cpu time spent up to now is 1026.5 secs Computing kpt #: 263 total cpu time spent up to now is 1029.3 secs Computing kpt #: 264 total cpu time spent up to now is 1032.1 secs Computing kpt #: 265 total cpu time spent up to now is 1035.9 secs Computing kpt #: 266 total cpu time spent up to now is 1038.8 secs Computing kpt #: 267 total cpu time spent up to now is 1041.7 secs Computing kpt #: 268 total cpu time spent up to now is 1045.0 secs Computing kpt #: 269 total cpu time spent up to now is 1048.1 secs Computing kpt #: 270 total cpu time spent up to now is 1051.4 secs Computing kpt #: 271 total cpu time spent up to now is 1054.4 secs Computing kpt #: 272 total cpu time spent up to now is 1057.3 secs Computing kpt #: 273 total cpu time spent up to now is 1060.4 secs Computing kpt #: 274 total cpu time spent up to now is 1063.1 secs Computing kpt #: 275 total cpu time spent up to now is 1065.9 secs Computing kpt #: 276 total cpu time spent up to now is 1069.2 secs Computing kpt #: 277 total cpu time spent up to now is 1072.4 secs Computing kpt #: 278 total cpu time spent up to now is 1076.3 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1080.4 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1084.6 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1088.8 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1092.9 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1098.2 secs Computing kpt #: 284 total cpu time spent up to now is 1101.7 secs Computing kpt #: 285 total cpu time spent up to now is 1105.1 secs Computing kpt #: 286 total cpu time spent up to now is 1108.1 secs Computing kpt #: 287 total cpu time spent up to now is 1111.4 secs Computing kpt #: 288 total cpu time spent up to now is 1114.8 secs Computing kpt #: 289 total cpu time spent up to now is 1118.1 secs Computing kpt #: 290 total cpu time spent up to now is 1122.2 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1126.6 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1130.9 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.5 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1140.1 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1144.3 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1148.6 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1153.0 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1157.4 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1161.7 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1166.1 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1170.4 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1175.1 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1179.4 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1184.7 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1189.2 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1193.6 secs Computing kpt #: 307 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1198.3 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1202.7 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1207.1 secs Computing kpt #: 310 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1211.5 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1215.8 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1220.6 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1225.2 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1229.7 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1234.1 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1238.5 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1243.2 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1247.7 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1252.0 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1256.3 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1260.8 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1265.2 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1269.8 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1274.8 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1279.1 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1283.5 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1287.8 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1291.9 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1297.4 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1301.6 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1306.0 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1310.4 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1314.7 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1318.8 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1322.9 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1328.0 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1332.1 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1336.2 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1340.4 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1344.8 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1348.9 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1353.1 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1357.2 secs Computing kpt #: 344 total cpu time spent up to now is 1360.4 secs Computing kpt #: 345 total cpu time spent up to now is 1363.2 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1367.3 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1371.3 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1375.4 secs Computing kpt #: 349 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1379.6 secs Computing kpt #: 350 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1383.6 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1388.2 secs Computing kpt #: 352 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1392.2 secs Computing kpt #: 353 total cpu time spent up to now is 1395.9 secs Computing kpt #: 354 total cpu time spent up to now is 1399.5 secs Computing kpt #: 355 total cpu time spent up to now is 1402.9 secs Computing kpt #: 356 total cpu time spent up to now is 1406.7 secs Computing kpt #: 357 total cpu time spent up to now is 1409.6 secs Computing kpt #: 358 total cpu time spent up to now is 1412.8 secs Computing kpt #: 359 total cpu time spent up to now is 1415.5 secs Computing kpt #: 360 total cpu time spent up to now is 1418.3 secs Computing kpt #: 361 total cpu time spent up to now is 1421.0 secs Computing kpt #: 362 total cpu time spent up to now is 1423.5 secs Computing kpt #: 363 total cpu time spent up to now is 1425.8 secs Computing kpt #: 364 total cpu time spent up to now is 1428.0 secs Computing kpt #: 365 total cpu time spent up to now is 1430.3 secs Computing kpt #: 366 total cpu time spent up to now is 1432.6 secs Computing kpt #: 367 total cpu time spent up to now is 1435.3 secs Computing kpt #: 368 total cpu time spent up to now is 1437.5 secs Computing kpt #: 369 total cpu time spent up to now is 1439.7 secs Computing kpt #: 370 total cpu time spent up to now is 1442.0 secs Computing kpt #: 371 total cpu time spent up to now is 1444.7 secs Computing kpt #: 372 total cpu time spent up to now is 1447.0 secs Computing kpt #: 373 total cpu time spent up to now is 1449.4 secs Computing kpt #: 374 total cpu time spent up to now is 1451.7 secs Computing kpt #: 375 total cpu time spent up to now is 1455.0 secs Computing kpt #: 376 total cpu time spent up to now is 1457.4 secs Computing kpt #: 377 total cpu time spent up to now is 1459.7 secs Computing kpt #: 378 total cpu time spent up to now is 1462.3 secs Computing kpt #: 379 total cpu time spent up to now is 1464.9 secs Computing kpt #: 380 total cpu time spent up to now is 1467.8 secs Computing kpt #: 381 total cpu time spent up to now is 1470.4 secs Computing kpt #: 382 total cpu time spent up to now is 1473.4 secs Computing kpt #: 383 total cpu time spent up to now is 1476.4 secs Computing kpt #: 384 total cpu time spent up to now is 1479.6 secs Computing kpt #: 385 total cpu time spent up to now is 1482.7 secs Computing kpt #: 386 total cpu time spent up to now is 1486.9 secs Computing kpt #: 387 total cpu time spent up to now is 1491.1 secs Computing kpt #: 388 total cpu time spent up to now is 1493.5 secs Computing kpt #: 389 total cpu time spent up to now is 1496.2 secs Computing kpt #: 390 total cpu time spent up to now is 1499.2 secs Computing kpt #: 391 total cpu time spent up to now is 1501.8 secs Computing kpt #: 392 total cpu time spent up to now is 1504.6 secs Computing kpt #: 393 total cpu time spent up to now is 1507.3 secs Computing kpt #: 394 total cpu time spent up to now is 1510.1 secs Computing kpt #: 395 total cpu time spent up to now is 1513.0 secs Computing kpt #: 396 total cpu time spent up to now is 1516.0 secs Computing kpt #: 397 total cpu time spent up to now is 1519.1 secs Computing kpt #: 398 total cpu time spent up to now is 1522.3 secs Computing kpt #: 399 total cpu time spent up to now is 1525.4 secs Computing kpt #: 400 total cpu time spent up to now is 1528.2 secs Computing kpt #: 401 total cpu time spent up to now is 1531.1 secs Computing kpt #: 402 total cpu time spent up to now is 1533.9 secs Computing kpt #: 403 total cpu time spent up to now is 1536.8 secs Computing kpt #: 404 total cpu time spent up to now is 1539.9 secs Computing kpt #: 405 total cpu time spent up to now is 1542.9 secs Computing kpt #: 406 total cpu time spent up to now is 1545.9 secs Computing kpt #: 407 total cpu time spent up to now is 1549.1 secs Computing kpt #: 408 total cpu time spent up to now is 1552.1 secs Computing kpt #: 409 total cpu time spent up to now is 1555.0 secs Computing kpt #: 410 total cpu time spent up to now is 1558.1 secs ethr = 2.63E-11, avg # of iterations = 92.1 total cpu time spent up to now is 1558.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4567 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6230 -18.6230 -18.5969 -18.5969 -18.1397 -18.1397 -18.1041 -18.1041 -18.0935 -18.0935 -18.0782 -18.0782 -2.4186 -2.4186 -0.4664 -0.4664 1.6152 1.6152 5.8116 5.8116 7.2129 7.2129 7.5199 7.5199 7.5847 7.5847 8.0224 8.0224 8.6345 8.6345 8.6865 8.6865 8.8212 8.8212 10.3886 10.3886 11.5900 11.5900 11.8110 11.8110 11.8207 11.8207 k = 0.0061 0.0232-0.0000 ( 4575 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6230 -18.6230 -18.5970 -18.5970 -18.1397 -18.1397 -18.1042 -18.1042 -18.0935 -18.0935 -18.0782 -18.0782 -2.4172 -2.4172 -0.4655 -0.4655 1.6165 1.6165 5.7942 5.7942 7.2240 7.2240 7.5237 7.5237 7.5868 7.5868 8.0225 8.0225 8.5987 8.5987 8.6856 8.6856 8.8519 8.8519 10.3876 10.3876 11.5913 11.5913 11.7916 11.7916 11.8204 11.8204 k = 0.0121 0.0464-0.0000 ( 4573 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6231 -18.6231 -18.5971 -18.5971 -18.1398 -18.1398 -18.1043 -18.1043 -18.0936 -18.0936 -18.0782 -18.0782 -2.4128 -2.4128 -0.4631 -0.4631 1.6205 1.6205 5.7440 5.7440 7.2542 7.2542 7.5355 7.5355 7.5939 7.5939 8.0229 8.0229 8.5235 8.5235 8.6828 8.6828 8.9123 8.9123 10.3845 10.3845 11.5952 11.5952 11.7427 11.7427 11.8150 11.8150 k = 0.0182 0.0696-0.0000 ( 4569 PWs) bands (ev): -39.6174 -39.6174 -39.6112 -39.6112 -18.6231 -18.6231 -18.5972 -18.5972 -18.1398 -18.1398 -18.1045 -18.1045 -18.0937 -18.0937 -18.0782 -18.0782 -2.4057 -2.4057 -0.4591 -0.4591 1.6271 1.6271 5.6661 5.6661 7.2957 7.2957 7.5541 7.5541 7.6096 7.6096 8.0232 8.0232 8.4345 8.4345 8.6781 8.6781 8.9773 8.9773 10.3790 10.3790 11.6017 11.6017 11.6744 11.6744 11.8054 11.8054 k = 0.0243 0.0928-0.0000 ( 4569 PWs) bands (ev): -39.6173 -39.6173 -39.6112 -39.6112 -18.6232 -18.6232 -18.5973 -18.5973 -18.1399 -18.1399 -18.1049 -18.1049 -18.0939 -18.0939 -18.0782 -18.0782 -2.3956 -2.3956 -0.4534 -0.4534 1.6364 1.6364 5.5668 5.5668 7.3392 7.3392 7.5741 7.5741 7.6427 7.6427 8.0221 8.0221 8.3396 8.3396 8.6718 8.6718 9.0400 9.0400 10.3707 10.3707 11.5946 11.5946 11.6108 11.6108 11.7920 11.7920 k = 0.0304 0.1160-0.0000 ( 4571 PWs) bands (ev): -39.6173 -39.6173 -39.6112 -39.6112 -18.6233 -18.6233 -18.5976 -18.5976 -18.1399 -18.1399 -18.1053 -18.1053 -18.0941 -18.0941 -18.0782 -18.0782 -2.3827 -2.3827 -0.4462 -0.4462 1.6483 1.6483 5.4514 5.4514 7.3778 7.3778 7.5910 7.5910 7.6988 7.6988 8.0168 8.0168 8.2442 8.2442 8.6639 8.6639 9.0987 9.0987 10.3588 10.3588 11.5087 11.5087 11.6222 11.6222 11.7742 11.7742 k = 0.0364 0.1392-0.0000 ( 4571 PWs) bands (ev): -39.6173 -39.6173 -39.6111 -39.6111 -18.6234 -18.6234 -18.5978 -18.5978 -18.1400 -18.1400 -18.1058 -18.1058 -18.0943 -18.0943 -18.0782 -18.0782 -2.3670 -2.3670 -0.4373 -0.4373 1.6627 1.6627 5.3241 5.3241 7.4099 7.4099 7.6065 7.6065 7.7737 7.7737 7.9974 7.9974 8.1593 8.1593 8.6545 8.6545 9.1528 9.1528 10.3427 10.3427 11.4198 11.4198 11.6358 11.6358 11.7256 11.7256 k = 0.0425 0.1624-0.0000 ( 4563 PWs) bands (ev): -39.6172 -39.6172 -39.6111 -39.6111 -18.6236 -18.6236 -18.5981 -18.5981 -18.1401 -18.1401 -18.1063 -18.1063 -18.0946 -18.0946 -18.0782 -18.0782 -2.3484 -2.3484 -0.4270 -0.4270 1.6797 1.6797 5.1883 5.1883 7.4371 7.4371 7.6223 7.6223 7.8600 7.8600 7.9417 7.9417 8.1082 8.1082 8.6441 8.6441 9.2020 9.2020 10.3214 10.3214 11.3297 11.3297 11.6502 11.6502 11.6592 11.6592 k = 0.0486 0.1856-0.0000 ( 4561 PWs) bands (ev): -39.6172 -39.6172 -39.6111 -39.6111 -18.6238 -18.6238 -18.5984 -18.5984 -18.1403 -18.1403 -18.1070 -18.1070 -18.0950 -18.0950 -18.0781 -18.0781 -2.3269 -2.3269 -0.4151 -0.4151 1.6992 1.6992 5.0464 5.0464 7.4615 7.4615 7.6393 7.6393 7.8464 7.8464 7.9553 7.9553 8.0917 8.0917 8.6327 8.6327 9.2463 9.2463 10.2940 10.2940 11.2395 11.2395 11.5911 11.5911 11.6694 11.6694 k = 0.0546 0.2089-0.0000 ( 4559 PWs) bands (ev): -39.6171 -39.6171 -39.6110 -39.6110 -18.6240 -18.6240 -18.5988 -18.5988 -18.1405 -18.1405 -18.1077 -18.1077 -18.0953 -18.0953 -18.0781 -18.0781 -2.3027 -2.3027 -0.4018 -0.4018 1.7210 1.7210 4.8999 4.8999 7.4847 7.4847 7.6571 7.6571 7.7378 7.7378 8.0508 8.0508 8.0892 8.0892 8.6206 8.6206 9.2860 9.2860 10.2598 10.2598 11.1500 11.1500 11.5291 11.5291 11.6866 11.6866 k = 0.0607 0.2321-0.0000 ( 4567 PWs) bands (ev): -39.6171 -39.6171 -39.6109 -39.6109 -18.6242 -18.6242 -18.5992 -18.5992 -18.1407 -18.1407 -18.1085 -18.1085 -18.0957 -18.0957 -18.0780 -18.0780 -2.2756 -2.2756 -0.3870 -0.3870 1.7452 1.7452 4.7503 4.7503 7.5073 7.5073 7.6194 7.6194 7.6795 7.6795 8.0915 8.0915 8.1469 8.1469 8.6084 8.6084 9.3211 9.3211 10.2184 10.2184 11.0615 11.0615 11.4731 11.4731 11.6814 11.6815 k = 0.0668 0.2553-0.0000 ( 4579 PWs) bands (ev): -39.6170 -39.6170 -39.6109 -39.6109 -18.6245 -18.6245 -18.5997 -18.5997 -18.1410 -18.1410 -18.1094 -18.1094 -18.0961 -18.0961 -18.0780 -18.0780 -2.2458 -2.2458 -0.3709 -0.3709 1.7716 1.7716 4.5986 4.5986 7.4949 7.4949 7.5364 7.5364 7.6995 7.6995 8.0959 8.0959 8.2410 8.2410 8.5962 8.5962 9.3520 9.3520 10.1699 10.1699 10.9744 10.9744 11.4246 11.4246 11.6656 11.6657 k = 0.0728 0.2785-0.0000 ( 4575 PWs) bands (ev): -39.6169 -39.6169 -39.6108 -39.6108 -18.6248 -18.6248 -18.6002 -18.6002 -18.1412 -18.1412 -18.1103 -18.1103 -18.0965 -18.0965 -18.0779 -18.0779 -2.2132 -2.2132 -0.3534 -0.3534 1.8001 1.8001 4.4457 4.4457 7.3760 7.3760 7.5577 7.5577 7.7213 7.7213 8.1009 8.1009 8.3316 8.3316 8.5846 8.5846 9.3790 9.3790 10.1153 10.1153 10.8889 10.8889 11.3844 11.3844 11.6514 11.6514 k = 0.0789 0.3017-0.0000 ( 4567 PWs) bands (ev): -39.6168 -39.6168 -39.6107 -39.6107 -18.6250 -18.6250 -18.6007 -18.6007 -18.1415 -18.1415 -18.1113 -18.1113 -18.0970 -18.0970 -18.0778 -18.0778 -2.1778 -2.1778 -0.3346 -0.3346 1.8305 1.8305 4.2923 4.2923 7.2529 7.2529 7.5827 7.5827 7.7439 7.7439 8.1061 8.1061 8.4168 8.4168 8.5743 8.5743 9.4027 9.4027 10.0561 10.0561 10.8053 10.8053 11.3525 11.3525 11.6397 11.6397 k = 0.0850 0.3249-0.0000 ( 4567 PWs) bands (ev): -39.6167 -39.6167 -39.6107 -39.6107 -18.6254 -18.6254 -18.6012 -18.6012 -18.1419 -18.1419 -18.1123 -18.1123 -18.0974 -18.0974 -18.0777 -18.0777 -2.1397 -2.1397 -0.3147 -0.3147 1.8626 1.8626 4.1390 4.1390 7.1290 7.1290 7.6086 7.6086 7.7667 7.7667 8.1108 8.1108 8.4941 8.4941 8.5668 8.5668 9.4234 9.4234 9.9950 9.9950 10.7236 10.7236 11.3287 11.3287 11.6309 11.6309 k = 0.0911 0.3481-0.0000 ( 4559 PWs) bands (ev): -39.6167 -39.6167 -39.6106 -39.6106 -18.6257 -18.6257 -18.6018 -18.6018 -18.1422 -18.1422 -18.1134 -18.1134 -18.0978 -18.0978 -18.0776 -18.0776 -2.0989 -2.0989 -0.2935 -0.2935 1.8961 1.8961 3.9865 3.9865 7.0050 7.0050 7.6353 7.6353 7.7892 7.7892 8.1146 8.1146 8.5464 8.5464 8.5776 8.5776 9.4416 9.4416 9.9353 9.9353 10.6439 10.6439 11.3121 11.3121 11.6254 11.6254 k = 0.0971 0.3713-0.0000 ( 4559 PWs) bands (ev): -39.6166 -39.6166 -39.6105 -39.6105 -18.6260 -18.6260 -18.6024 -18.6024 -18.1426 -18.1426 -18.1145 -18.1145 -18.0982 -18.0982 -18.0775 -18.0775 -2.0555 -2.0555 -0.2714 -0.2714 1.9307 1.9307 3.8354 3.8354 6.8813 6.8813 7.6625 7.6625 7.8109 7.8109 8.1172 8.1172 8.5496 8.5496 8.6290 8.6290 9.4580 9.4580 9.8810 9.8810 10.5662 10.5662 11.3020 11.3020 11.6232 11.6232 k = 0.1032 0.3945-0.0000 ( 4559 PWs) bands (ev): -39.6165 -39.6165 -39.6104 -39.6104 -18.6264 -18.6264 -18.6030 -18.6030 -18.1430 -18.1430 -18.1156 -18.1156 -18.0986 -18.0986 -18.0774 -18.0774 -2.0094 -2.0094 -0.2482 -0.2482 1.9659 1.9659 3.6865 3.6865 6.7585 6.7585 7.6897 7.6897 7.8311 7.8311 8.1182 8.1182 8.5501 8.5501 8.6725 8.6725 9.4731 9.4731 9.8370 9.8370 10.4907 10.4907 11.2975 11.2975 11.6243 11.6243 k = 0.1093 0.4177-0.0000 ( 4555 PWs) bands (ev): -39.6164 -39.6164 -39.6103 -39.6103 -18.6267 -18.6267 -18.6036 -18.6036 -18.1435 -18.1435 -18.1168 -18.1168 -18.0990 -18.0990 -18.0773 -18.0773 -1.9607 -1.9607 -0.2241 -0.2241 2.0008 2.0008 3.5407 3.5407 6.6368 6.6368 7.7165 7.7165 7.8491 7.8491 8.1172 8.1172 8.5543 8.5543 8.6995 8.6995 9.4876 9.4876 9.8078 9.8078 10.4173 10.4173 11.2978 11.2978 11.6286 11.6286 k = 0.1153 0.4409-0.0000 ( 4551 PWs) bands (ev): -39.6163 -39.6163 -39.6102 -39.6102 -18.6271 -18.6271 -18.6043 -18.6043 -18.1439 -18.1439 -18.1180 -18.1180 -18.0993 -18.0993 -18.0772 -18.0772 -1.9095 -1.9095 -0.1992 -0.1992 2.0344 2.0344 3.3992 3.3992 6.5167 6.5167 7.7421 7.7421 7.8644 7.8644 8.1138 8.1138 8.5634 8.5634 8.7078 8.7078 9.5023 9.5023 9.7971 9.7971 10.3461 10.3461 11.3022 11.3022 11.6358 11.6358 k = 0.1214 0.4641-0.0000 ( 4553 PWs) bands (ev): -39.6162 -39.6162 -39.6101 -39.6101 -18.6275 -18.6275 -18.6049 -18.6049 -18.1445 -18.1445 -18.1192 -18.1192 -18.0997 -18.0997 -18.0770 -18.0770 -1.8558 -1.8558 -0.1736 -0.1736 2.0651 2.0651 3.2637 3.2637 6.3985 6.3985 7.7654 7.7654 7.8765 7.8765 8.1076 8.1076 8.5784 8.5784 8.6976 8.6976 9.5181 9.5181 9.8063 9.8063 10.2772 10.2772 11.3100 11.3100 11.6454 11.6454 k = 0.1275 0.4873-0.0000 ( 4557 PWs) bands (ev): -39.6161 -39.6161 -39.6100 -39.6100 -18.6279 -18.6279 -18.6056 -18.6056 -18.1450 -18.1450 -18.1205 -18.1205 -18.1000 -18.1000 -18.0769 -18.0769 -1.7996 -1.7996 -0.1473 -0.1473 2.0904 2.0904 3.1369 3.1369 6.2825 6.2825 7.7849 7.7849 7.8851 7.8851 8.0984 8.0984 8.5995 8.5995 8.6721 8.6721 9.5357 9.5357 9.8345 9.8345 10.2104 10.2104 11.3208 11.3208 11.6566 11.6566 k = 0.1336 0.5105-0.0000 ( 4563 PWs) bands (ev): -39.6160 -39.6160 -39.6100 -39.6100 -18.6283 -18.6283 -18.6063 -18.6063 -18.1456 -18.1456 -18.1217 -18.1217 -18.1003 -18.1003 -18.0768 -18.0768 -1.7410 -1.7410 -0.1205 -0.1205 2.1063 2.1063 3.0226 3.0226 6.1692 6.1692 7.7983 7.7983 7.8905 7.8905 8.0859 8.0859 8.6264 8.6264 8.6377 8.6377 9.5557 9.5557 9.8789 9.8789 10.1458 10.1458 11.3341 11.3341 11.6548 11.6548 k = 0.1396 0.5337-0.0000 ( 4555 PWs) bands (ev): -39.6159 -39.6159 -39.6099 -39.6099 -18.6287 -18.6287 -18.6070 -18.6070 -18.1461 -18.1461 -18.1228 -18.1228 -18.1005 -18.1005 -18.0767 -18.0767 -1.6802 -1.6802 -0.0933 -0.0933 2.1074 2.1074 2.9263 2.9263 6.0587 6.0587 7.8031 7.8031 7.8930 7.8930 8.0701 8.0701 8.5978 8.5978 8.6619 8.6619 9.5784 9.5784 9.9363 9.9363 10.0836 10.0836 11.3495 11.3495 11.6224 11.6224 k = 0.1457 0.5569-0.0000 ( 4547 PWs) bands (ev): -39.6158 -39.6158 -39.6098 -39.6098 -18.6290 -18.6290 -18.6076 -18.6076 -18.1467 -18.1467 -18.1240 -18.1240 -18.1007 -18.1007 -18.0765 -18.0765 -1.6171 -1.6171 -0.0658 -0.0658 2.0871 2.0871 2.8547 2.8547 5.9515 5.9515 7.7962 7.7962 7.8927 7.8927 8.0511 8.0511 8.5623 8.5623 8.7023 8.7023 9.6040 9.6040 10.0020 10.0020 10.0255 10.0255 11.3669 11.3669 11.5861 11.5861 k = 0.1518 0.5801-0.0000 ( 4559 PWs) bands (ev): -39.6157 -39.6157 -39.6097 -39.6097 -18.6294 -18.6294 -18.6083 -18.6083 -18.1473 -18.1473 -18.1252 -18.1252 -18.1010 -18.1010 -18.0764 -18.0764 -1.5520 -1.5520 -0.0380 -0.0380 2.0409 2.0409 2.8121 2.8121 5.8477 5.8477 7.7755 7.7755 7.8895 7.8895 8.0291 8.0291 8.5355 8.5355 8.7486 8.7486 9.6326 9.6326 9.9643 9.9643 10.0810 10.0810 11.3860 11.3860 11.5461 11.5461 k = 0.1578 0.6033-0.0000 ( 4559 PWs) bands (ev): -39.6156 -39.6156 -39.6096 -39.6096 -18.6298 -18.6298 -18.6090 -18.6090 -18.1478 -18.1478 -18.1263 -18.1263 -18.1011 -18.1011 -18.0763 -18.0763 -1.4848 -1.4848 -0.0101 -0.0101 1.9691 1.9691 2.7983 2.7983 5.7477 5.7477 7.7404 7.7404 7.8826 7.8826 8.0049 8.0049 8.5211 8.5211 8.8003 8.8003 9.6644 9.6644 9.9084 9.9084 10.1628 10.1628 11.4064 11.4064 11.5023 11.5023 k = 0.1639 0.6266-0.0000 ( 4563 PWs) bands (ev): -39.6155 -39.6155 -39.6095 -39.6095 -18.6301 -18.6301 -18.6096 -18.6096 -18.1484 -18.1484 -18.1274 -18.1274 -18.1013 -18.1013 -18.0762 -18.0762 -1.4159 -1.4159 0.0180 0.0180 1.8769 1.8769 2.8078 2.8078 5.6517 5.6517 7.6915 7.6915 7.8715 7.8715 7.9795 7.9795 8.5204 8.5204 8.8568 8.8568 9.6993 9.6993 9.8544 9.8544 10.2499 10.2499 11.4275 11.4275 11.4553 11.4553 k = 0.1700 0.6498-0.0000 ( 4565 PWs) bands (ev): -39.6154 -39.6154 -39.6094 -39.6094 -18.6305 -18.6305 -18.6102 -18.6102 -18.1489 -18.1489 -18.1285 -18.1285 -18.1014 -18.1014 -18.0761 -18.0761 -1.3452 -1.3452 0.0461 0.0461 1.7708 1.7708 2.8342 2.8342 5.5602 5.5602 7.6310 7.6310 7.8552 7.8552 7.9548 7.9548 8.5324 8.5324 8.9178 8.9178 9.7369 9.7369 9.8026 9.8026 10.3411 10.3411 11.4020 11.4020 11.4523 11.4523 k = 0.1760 0.6730-0.0000 ( 4551 PWs) bands (ev): -39.6154 -39.6154 -39.6094 -39.6094 -18.6308 -18.6308 -18.6108 -18.6108 -18.1494 -18.1494 -18.1295 -18.1295 -18.1015 -18.1015 -18.0760 -18.0760 -1.2732 -1.2732 0.0742 0.0742 1.6560 1.6560 2.8719 2.8719 5.4732 5.4732 7.5617 7.5617 7.8326 7.8326 7.9328 7.9328 8.5553 8.5553 8.9828 8.9828 9.7496 9.7496 9.7804 9.7804 10.4357 10.4357 11.3475 11.3475 11.4757 11.4757 k = 0.1821 0.6962-0.0000 ( 4550 PWs) bands (ev): -39.6153 -39.6153 -39.6093 -39.6093 -18.6311 -18.6311 -18.6114 -18.6114 -18.1499 -18.1499 -18.1304 -18.1304 -18.1016 -18.1016 -18.0759 -18.0759 -1.2000 -1.2000 0.1025 0.1025 1.5362 1.5362 2.9172 2.9172 5.3912 5.3912 7.4864 7.4864 7.8033 7.8033 7.9149 7.9149 8.5868 8.5868 9.0513 9.0513 9.7022 9.7022 9.8226 9.8226 10.5334 10.5334 11.2895 11.2895 11.4995 11.4995 k = 0.1882 0.7194-0.0000 ( 4552 PWs) bands (ev): -39.6152 -39.6152 -39.6092 -39.6092 -18.6314 -18.6314 -18.6119 -18.6119 -18.1504 -18.1504 -18.1313 -18.1313 -18.1016 -18.1016 -18.0758 -18.0758 -1.1259 -1.1259 0.1309 0.1309 1.4138 1.4138 2.9675 2.9675 5.3144 5.3144 7.4076 7.4076 7.7681 7.7681 7.9007 7.9007 8.6251 8.6251 9.1231 9.1231 9.6552 9.6552 9.8682 9.8682 10.6336 10.6336 11.2287 11.2287 11.5145 11.5145 k = 0.1943 0.7426-0.0000 ( 4554 PWs) bands (ev): -39.6151 -39.6151 -39.6092 -39.6092 -18.6316 -18.6316 -18.6124 -18.6124 -18.1508 -18.1508 -18.1321 -18.1321 -18.1017 -18.1017 -18.0757 -18.0757 -1.0514 -1.0514 0.1597 0.1597 1.2901 1.2901 3.0211 3.0211 5.2429 5.2429 7.3275 7.3275 7.7287 7.7287 7.8895 7.8895 8.6686 8.6686 9.1978 9.1978 9.6096 9.6096 9.9156 9.9156 10.7360 10.7360 11.1656 11.1656 11.4699 11.4699 k = 0.2003 0.7658-0.0000 ( 4558 PWs) bands (ev): -39.6151 -39.6151 -39.6091 -39.6091 -18.6319 -18.6319 -18.6129 -18.6129 -18.1512 -18.1512 -18.1329 -18.1329 -18.1017 -18.1017 -18.0756 -18.0756 -0.9769 -0.9769 0.1891 0.1891 1.1663 1.1663 3.0766 3.0766 5.1771 5.1771 7.2476 7.2476 7.6864 7.6864 7.8805 7.8805 8.7163 8.7163 9.2752 9.2752 9.5651 9.5651 9.9641 9.9641 10.8404 10.8404 11.1010 11.1010 11.4064 11.4064 k = 0.2064 0.7890-0.0000 ( 4550 PWs) bands (ev): -39.6150 -39.6150 -39.6091 -39.6091 -18.6321 -18.6321 -18.6133 -18.6133 -18.1516 -18.1516 -18.1335 -18.1335 -18.1017 -18.1017 -18.0756 -18.0756 -0.9032 -0.9032 0.2196 0.2196 1.0429 1.0429 3.1331 3.1331 5.1171 5.1171 7.1695 7.1695 7.6420 7.6420 7.8734 7.8734 8.7674 8.7674 9.3549 9.3549 9.5218 9.5218 10.0130 10.0130 10.9456 10.9456 11.0358 11.0358 11.3409 11.3409 k = 0.2125 0.8122-0.0000 ( 4546 PWs) bands (ev): -39.6150 -39.6150 -39.6090 -39.6090 -18.6322 -18.6322 -18.6137 -18.6137 -18.1519 -18.1519 -18.1341 -18.1341 -18.1017 -18.1017 -18.0755 -18.0755 -0.8308 -0.8308 0.2517 0.2517 0.9205 0.9205 3.1897 3.1897 5.0631 5.0631 7.0941 7.0941 7.5963 7.5963 7.8679 7.8679 8.8211 8.8211 9.4366 9.4366 9.4793 9.4793 10.0609 10.0609 10.9672 10.9672 11.0539 11.0539 11.2779 11.2779 k = 0.2185 0.8354-0.0000 ( 4542 PWs) bands (ev): -39.6149 -39.6149 -39.6090 -39.6090 -18.6324 -18.6324 -18.6140 -18.6140 -18.1521 -18.1521 -18.1347 -18.1347 -18.1017 -18.1017 -18.0755 -18.0755 -0.7608 -0.7608 0.2861 0.2861 0.7995 0.7995 3.2456 3.2456 5.0152 5.0152 7.0225 7.0225 7.5498 7.5498 7.8639 7.8639 8.8772 8.8772 9.4374 9.4374 9.5201 9.5201 10.1065 10.1065 10.9020 10.9020 11.1473 11.1473 11.2313 11.2313 k = 0.2246 0.8586-0.0000 ( 4550 PWs) bands (ev): -39.6149 -39.6149 -39.6090 -39.6090 -18.6325 -18.6325 -18.6143 -18.6143 -18.1524 -18.1524 -18.1351 -18.1351 -18.1017 -18.1017 -18.0755 -18.0755 -0.6942 -0.6942 0.3237 0.3237 0.6799 0.6799 3.3001 3.3001 4.9737 4.9737 6.9556 6.9556 7.5028 7.5028 7.8613 7.8613 8.9351 8.9351 9.3960 9.3960 9.6051 9.6051 10.1476 10.1476 10.8372 10.8372 11.1422 11.1422 11.2906 11.2906 k = 0.2307 0.8818-0.0000 ( 4550 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6326 -18.6326 -18.6146 -18.6146 -18.1525 -18.1525 -18.1355 -18.1355 -18.1017 -18.1017 -18.0755 -18.0755 -0.6321 -0.6321 0.3655 0.3655 0.5622 0.5622 3.3526 3.3526 4.9384 4.9384 6.8943 6.8943 7.4558 7.4558 7.8603 7.8603 8.9945 8.9945 9.3548 9.3548 9.6912 9.6912 10.1818 10.1818 10.7741 10.7741 11.0993 11.0993 11.3970 11.3970 k = 0.2368 0.9050-0.0000 ( 4550 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6326 -18.6326 -18.6147 -18.6147 -18.1526 -18.1526 -18.1358 -18.1358 -18.1017 -18.1017 -18.0755 -18.0755 -0.5757 -0.5757 0.4127 0.4127 0.4463 0.4463 3.4023 3.4023 4.9096 4.9096 6.8393 6.8393 7.4091 7.4091 7.8607 7.8607 9.0549 9.0549 9.3139 9.3139 9.7782 9.7782 10.2057 10.2057 10.7133 10.7133 11.0648 11.0648 11.5058 11.5058 k = 0.2428 0.9282-0.0000 ( 4558 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6327 -18.6327 -18.6149 -18.6149 -18.1526 -18.1526 -18.1360 -18.1360 -18.1017 -18.1017 -18.0755 -18.0755 -0.5262 -0.5262 0.3324 0.3324 0.4662 0.4662 3.4486 3.4486 4.8871 4.8871 6.7915 6.7915 7.3630 7.3630 7.8627 7.8627 9.1153 9.1153 9.2738 9.2738 9.8655 9.8655 10.2164 10.2164 10.6556 10.6556 11.0448 11.0448 11.6078 11.6078 k = 0.2489 0.9514-0.0000 ( 4552 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6150 -18.6150 -18.1526 -18.1526 -18.1361 -18.1361 -18.1017 -18.1017 -18.0756 -18.0756 -0.4844 -0.4844 0.2207 0.2207 0.5270 0.5270 3.4908 3.4908 4.8708 4.8708 6.7514 6.7514 7.3177 7.3177 7.8662 7.8662 9.1688 9.1688 9.2409 9.2409 9.9529 9.9529 10.2116 10.2116 10.6014 10.6014 11.0423 11.0423 11.6759 11.6759 k = 0.2550 0.9746-0.0000 ( 4548 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6150 -18.6150 -18.1525 -18.1525 -18.1361 -18.1361 -18.1016 -18.1016 -18.0756 -18.0756 -0.4509 -0.4509 0.1112 0.1112 0.5955 0.5955 3.5283 3.5283 4.8607 4.8607 6.7199 6.7199 7.2736 7.2736 7.8713 7.8713 9.1688 9.1688 9.2615 9.2615 10.0397 10.0397 10.1913 10.1913 10.5513 10.5513 11.0576 11.0576 11.6923 11.6923 k = 0.2610 0.9978-0.0000 ( 4550 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6325 -18.6325 -18.6149 -18.6149 -18.1524 -18.1524 -18.1360 -18.1360 -18.1016 -18.1016 -18.0757 -18.0757 -0.4258 -0.4258 0.0039 0.0039 0.6721 0.6721 3.5605 3.5605 4.8566 4.8566 6.6974 6.6974 7.2310 7.2310 7.8779 7.8779 9.1294 9.1294 9.3212 9.3212 10.1244 10.1244 10.1582 10.1582 10.5056 10.5056 11.0890 11.0890 11.6858 11.6858 k = 0.2671 1.0210-0.0000 ( 4554 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6324 -18.6324 -18.6148 -18.6148 -18.1522 -18.1522 -18.1359 -18.1359 -18.1016 -18.1016 -18.0758 -18.0758 -0.4090 -0.4090 -0.1011 -0.1011 0.7564 0.7564 3.5871 3.5871 4.8582 4.8582 6.6843 6.6843 7.1900 7.1900 7.8860 7.8860 9.0840 9.0840 9.3863 9.3863 10.1102 10.1102 10.2113 10.2113 10.4649 10.4649 11.1338 11.1338 11.6674 11.6674 k = 0.2671 1.0210-0.0000 ( 4554 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6324 -18.6324 -18.6148 -18.6148 -18.1522 -18.1522 -18.1359 -18.1359 -18.1016 -18.1016 -18.0758 -18.0758 -0.4090 -0.4090 -0.1011 -0.1011 0.7564 0.7564 3.5871 3.5871 4.8582 4.8582 6.6843 6.6843 7.1900 7.1900 7.8860 7.8860 9.0840 9.0840 9.3863 9.3863 10.1102 10.1102 10.2113 10.2113 10.4649 10.4649 11.1338 11.1338 11.6674 11.6674 k = 0.2428 1.0210-0.0000 ( 4557 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6324 -18.6324 -18.6149 -18.6149 -18.1523 -18.1523 -18.1359 -18.1359 -18.1016 -18.1016 -18.0757 -18.0757 -0.4142 -0.4142 -0.0722 -0.0722 0.7337 0.7337 3.5782 3.5782 4.8625 4.8625 6.6656 6.6656 7.2235 7.2235 7.8837 7.8837 9.0962 9.0962 9.3635 9.3635 10.1233 10.1233 10.1918 10.1918 10.4716 10.4716 11.1145 11.1145 11.6734 11.6734 k = 0.2185 1.0210-0.0000 ( 4553 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6324 -18.6324 -18.6149 -18.6149 -18.1523 -18.1523 -18.1359 -18.1359 -18.1016 -18.1016 -18.0757 -18.0757 -0.4219 -0.4219 -0.0399 -0.0399 0.7109 0.7109 3.5644 3.5644 4.8771 4.8771 6.6145 6.6145 7.2938 7.2938 7.8815 7.8815 9.1086 9.1086 9.3295 9.3295 10.1371 10.1371 10.1765 10.1765 10.4723 10.4723 11.0835 11.0835 11.6792 11.6792 k = 0.1943 1.0210-0.0000 ( 4549 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6325 -18.6325 -18.6149 -18.6149 -18.1524 -18.1524 -18.1360 -18.1360 -18.1016 -18.1016 -18.0757 -18.0757 -0.4307 -0.4307 -0.0061 -0.0061 0.6882 0.6882 3.5470 3.5470 4.9006 4.9006 6.5463 6.5463 7.3855 7.3855 7.8796 7.8796 9.1200 9.1200 9.2856 9.2856 10.1491 10.1491 10.1671 10.1671 10.4676 10.4676 11.0438 11.0438 11.6840 11.6840 k = 0.1700 1.0210-0.0000 ( 4551 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6325 -18.6325 -18.6149 -18.6149 -18.1524 -18.1524 -18.1360 -18.1360 -18.1016 -18.1016 -18.0757 -18.0757 -0.4397 -0.4397 0.0281 0.0281 0.6657 0.6657 3.5275 3.5275 4.9313 4.9313 6.4711 6.4711 7.4879 7.4879 7.8781 7.8781 9.1282 9.1282 9.2347 9.2347 10.1505 10.1505 10.1723 10.1723 10.4580 10.4580 10.9995 10.9995 11.6874 11.6874 k = 0.1457 1.0210-0.0000 ( 4548 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6325 -18.6325 -18.6149 -18.6149 -18.1525 -18.1525 -18.1360 -18.1360 -18.1016 -18.1016 -18.0756 -18.0756 -0.4483 -0.4483 0.0613 0.0613 0.6438 0.6438 3.5073 3.5073 4.9670 4.9670 6.3951 6.3951 7.5944 7.5944 7.8776 7.8776 9.1224 9.1224 9.1888 9.1888 10.1474 10.1474 10.1854 10.1854 10.4448 10.4448 10.9543 10.9543 11.6897 11.6897 k = 0.1214 1.0210-0.0000 ( 4550 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6149 -18.6149 -18.1525 -18.1525 -18.1360 -18.1360 -18.1016 -18.1016 -18.0756 -18.0756 -0.4560 -0.4560 0.0927 0.0927 0.6229 0.6229 3.4879 3.4879 5.0054 5.0054 6.3221 6.3221 7.6993 7.6993 7.8796 7.8796 9.0768 9.0768 9.1753 9.1753 10.1464 10.1464 10.1985 10.1985 10.4291 10.4291 10.9116 10.9116 11.6911 11.6911 k = 0.0971 1.0210-0.0000 ( 4550 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6149 -18.6149 -18.1526 -18.1526 -18.1360 -18.1360 -18.1016 -18.1016 -18.0756 -18.0756 -0.4626 -0.4626 0.1211 0.1211 0.6036 0.6036 3.4704 3.4704 5.0438 5.0438 6.2554 6.2554 7.7915 7.7915 7.8912 7.8912 9.0094 9.0094 9.1787 9.1787 10.1478 10.1478 10.2103 10.2103 10.4125 10.4125 10.8738 10.8738 11.6918 11.6918 k = 0.0728 1.0210-0.0000 ( 4546 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6149 -18.6149 -18.1526 -18.1526 -18.1360 -18.1360 -18.1016 -18.1016 -18.0756 -18.0756 -0.4679 -0.4679 0.1453 0.1453 0.5868 0.5868 3.4558 3.4558 5.0791 5.0791 6.1982 6.1982 7.8404 7.8404 7.9385 7.9385 8.9392 8.9392 9.1841 9.1841 10.1512 10.1512 10.2202 10.2202 10.3966 10.3966 10.8428 10.8428 11.6922 11.6922 k = 0.0486 1.0210-0.0000 ( 4545 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6149 -18.6149 -18.1526 -18.1526 -18.1360 -18.1360 -18.1016 -18.1016 -18.0756 -18.0756 -0.4718 -0.4718 0.1641 0.1641 0.5736 0.5736 3.4449 3.4449 5.1079 5.1079 6.1539 6.1539 7.8517 7.8517 8.0087 8.0087 8.8757 8.8757 9.1886 9.1886 10.1551 10.1551 10.2275 10.2275 10.3833 10.3833 10.8198 10.8198 11.6923 11.6923 k = 0.0243 1.0210-0.0000 ( 4539 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6149 -18.6149 -18.1526 -18.1526 -18.1360 -18.1360 -18.1016 -18.1016 -18.0755 -18.0755 -0.4741 -0.4741 0.1761 0.1761 0.5650 0.5650 3.4381 3.4381 5.1269 5.1269 6.1255 6.1255 7.8545 7.8545 8.0627 8.0627 8.8295 8.8295 9.1916 9.1916 10.1583 10.1583 10.2321 10.2321 10.3743 10.3743 10.8056 10.8056 11.6924 11.6924 k = 0.0000 1.0210-0.0000 ( 4546 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6149 -18.6149 -18.1526 -18.1526 -18.1360 -18.1360 -18.1016 -18.1016 -18.0755 -18.0755 -0.4749 -0.4749 0.1802 0.1802 0.5620 0.5620 3.4358 3.4358 5.1336 5.1336 6.1157 6.1157 7.8551 7.8551 8.0829 8.0829 8.8122 8.8122 9.1926 9.1926 10.1595 10.1595 10.2336 10.2336 10.3711 10.3711 10.8009 10.8009 11.6924 11.6924 k = 0.0000 1.0210-0.0000 ( 4546 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6149 -18.6149 -18.1526 -18.1526 -18.1360 -18.1360 -18.1016 -18.1016 -18.0755 -18.0755 -0.4749 -0.4749 0.1802 0.1802 0.5620 0.5620 3.4358 3.4358 5.1336 5.1336 6.1157 6.1157 7.8551 7.8551 8.0829 8.0829 8.8122 8.8122 9.1926 9.1926 10.1595 10.1595 10.2336 10.2336 10.3711 10.3711 10.8009 10.8009 11.6924 11.6924 k = 0.0000 1.0210 0.0241 ( 4542 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6326 -18.6326 -18.6149 -18.6149 -18.1526 -18.1526 -18.1360 -18.1360 -18.1017 -18.1017 -18.0756 -18.0756 -0.4738 -0.4738 0.1815 0.1815 0.5632 0.5632 3.4353 3.4353 5.1345 5.1345 6.1170 6.1170 7.8490 7.8490 8.0826 8.0826 8.8142 8.8142 9.1777 9.1777 10.0643 10.0643 10.3178 10.3178 10.3670 10.3670 10.8109 10.8109 11.6939 11.6939 k = 0.0000 1.0210 0.0482 ( 4542 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6327 -18.6327 -18.6150 -18.6150 -18.1526 -18.1526 -18.1361 -18.1361 -18.1018 -18.1018 -18.0757 -18.0757 -0.4704 -0.4704 0.1853 0.1853 0.5669 0.5669 3.4338 3.4338 5.1374 5.1374 6.1207 6.1207 7.8311 7.8311 8.0816 8.0816 8.8197 8.8197 9.1345 9.1345 9.9333 9.9333 10.3343 10.3343 10.4371 10.4371 10.8390 10.8390 11.6984 11.6984 k = 0.0000 1.0210 0.0723 ( 4552 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6327 -18.6327 -18.6151 -18.6151 -18.1525 -18.1525 -18.1361 -18.1361 -18.1021 -18.1021 -18.0760 -18.0760 -0.4648 -0.4648 0.1916 0.1916 0.5730 0.5730 3.4312 3.4312 5.1421 5.1421 6.1268 6.1268 7.8021 7.8021 8.0802 8.0802 8.8274 8.8274 9.0667 9.0667 9.7950 9.7950 10.2995 10.2995 10.5396 10.5396 10.8807 10.8807 11.7056 11.7056 k = 0.0000 1.0210 0.0964 ( 4552 PWs) bands (ev): -39.6147 -39.6147 -39.6089 -39.6089 -18.6328 -18.6328 -18.6152 -18.6152 -18.1524 -18.1524 -18.1361 -18.1361 -18.1024 -18.1024 -18.0764 -18.0764 -0.4568 -0.4568 0.2004 0.2004 0.5816 0.5816 3.4274 3.4274 5.1487 5.1487 6.1353 6.1353 7.7633 7.7633 8.0784 8.0784 8.8341 8.8341 8.9803 8.9803 9.6518 9.6518 10.2528 10.2528 10.6357 10.6357 10.9308 10.9308 11.7155 11.7155 k = 0.0000 1.0210 0.1205 ( 4556 PWs) bands (ev): -39.6147 -39.6147 -39.6088 -39.6088 -18.6328 -18.6328 -18.6154 -18.6154 -18.1523 -18.1523 -18.1362 -18.1362 -18.1028 -18.1028 -18.0769 -18.0769 -0.4467 -0.4467 0.2117 0.2117 0.5926 0.5926 3.4224 3.4224 5.1573 5.1573 6.1461 6.1461 7.7162 7.7162 8.0762 8.0762 8.8236 8.8236 8.8936 8.8936 9.5061 9.5061 10.1970 10.1970 10.7243 10.7243 10.9848 10.9848 11.7278 11.7278 k = 0.0000 1.0210 0.1446 ( 4554 PWs) bands (ev): -39.6146 -39.6146 -39.6088 -39.6088 -18.6329 -18.6329 -18.6156 -18.6156 -18.1521 -18.1521 -18.1363 -18.1363 -18.1033 -18.1033 -18.0775 -18.0775 -0.4342 -0.4342 0.2256 0.2256 0.6060 0.6060 3.4160 3.4160 5.1677 5.1677 6.1592 6.1592 7.6625 7.6625 8.0734 8.0734 8.7367 8.7367 8.8666 8.8666 9.3609 9.3609 10.1338 10.1338 10.8053 10.8053 11.0393 11.0393 11.7421 11.7421 k = 0.0000 1.0210 0.1687 ( 4546 PWs) bands (ev): -39.6145 -39.6145 -39.6088 -39.6088 -18.6330 -18.6330 -18.6159 -18.6159 -18.1519 -18.1519 -18.1363 -18.1363 -18.1038 -18.1038 -18.0782 -18.0782 -0.4196 -0.4196 0.2419 0.2419 0.6218 0.6218 3.4081 3.4081 5.1801 5.1801 6.1744 6.1744 7.6037 7.6037 8.0691 8.0691 8.6145 8.6145 8.8550 8.8550 9.2234 9.2234 10.0645 10.0645 10.8792 10.8792 11.0918 11.0918 11.7583 11.7583 k = 0.0000 1.0210 0.1928 ( 4548 PWs) bands (ev): -39.6144 -39.6144 -39.6087 -39.6087 -18.6331 -18.6331 -18.6161 -18.6161 -18.1517 -18.1517 -18.1364 -18.1364 -18.1044 -18.1044 -18.0790 -18.0790 -0.4027 -0.4027 0.2606 0.2606 0.6400 0.6400 3.3984 3.3984 5.1943 5.1943 6.1916 6.1916 7.5412 7.5412 8.0619 8.0619 8.4846 8.4846 8.8185 8.8185 9.1101 9.1101 9.9902 9.9902 10.9462 10.9462 11.1408 11.1408 11.7760 11.7760 k = 0.0000 1.0210 0.2169 ( 4552 PWs) bands (ev): -39.6143 -39.6143 -39.6087 -39.6087 -18.6332 -18.6332 -18.6165 -18.6165 -18.1514 -18.1514 -18.1366 -18.1366 -18.1051 -18.1051 -18.0798 -18.0798 -0.3835 -0.3835 0.2818 0.2818 0.6606 0.6606 3.3867 3.3867 5.2106 5.2106 6.2106 6.2106 7.4766 7.4766 8.0480 8.0480 8.3551 8.3551 8.7322 8.7322 9.0436 9.0436 9.9121 9.9121 11.0069 11.0069 11.1853 11.1853 11.7950 11.7950 k = 0.0000 1.0210 0.2410 ( 4546 PWs) bands (ev): -39.6142 -39.6142 -39.6087 -39.6087 -18.6333 -18.6333 -18.6168 -18.6168 -18.1512 -18.1512 -18.1367 -18.1367 -18.1058 -18.1058 -18.0808 -18.0808 -0.3621 -0.3621 0.3055 0.3055 0.6835 0.6835 3.3728 3.3728 5.2287 5.2287 6.2311 6.2311 7.4109 7.4109 8.0168 8.0168 8.2389 8.2389 8.6027 8.6027 9.0172 9.0172 9.8311 9.8311 11.0620 11.0620 11.2251 11.2251 11.8151 11.8151 k = 0.0000 1.0210 0.2650 ( 4540 PWs) bands (ev): -39.6141 -39.6141 -39.6086 -39.6086 -18.6334 -18.6334 -18.6172 -18.6172 -18.1509 -18.1509 -18.1368 -18.1368 -18.1066 -18.1066 -18.0818 -18.0818 -0.3385 -0.3385 0.3315 0.3315 0.7086 0.7086 3.3566 3.3566 5.2488 5.2488 6.2527 6.2527 7.3452 7.3452 7.9452 7.9452 8.1604 8.1604 8.4527 8.4527 9.0081 9.0081 9.7479 9.7479 11.1120 11.1120 11.2604 11.2604 11.8361 11.8361 k = 0.0000 1.0210 0.2891 ( 4542 PWs) bands (ev): -39.6139 -39.6139 -39.6086 -39.6086 -18.6336 -18.6336 -18.6176 -18.6176 -18.1506 -18.1506 -18.1370 -18.1370 -18.1075 -18.1075 -18.0829 -18.0829 -0.3126 -0.3126 0.3599 0.3599 0.7361 0.7361 3.3376 3.3376 5.2709 5.2709 6.2750 6.2750 7.2805 7.2805 7.8310 7.8310 8.1232 8.1232 8.2943 8.2943 9.0047 9.0047 9.6633 9.6633 11.1578 11.1578 11.2917 11.2917 11.8578 11.8578 k = 0.0000 1.0210 0.3132 ( 4544 PWs) bands (ev): -39.6138 -39.6138 -39.6085 -39.6085 -18.6337 -18.6337 -18.6180 -18.6180 -18.1503 -18.1503 -18.1372 -18.1372 -18.1084 -18.1084 -18.0840 -18.0840 -0.2846 -0.2846 0.3907 0.3907 0.7657 0.7657 3.3157 3.3157 5.2949 5.2949 6.2973 6.2973 7.2176 7.2176 7.6984 7.6984 8.1038 8.1038 8.1327 8.1327 9.0026 9.0026 9.5779 9.5779 11.1999 11.1999 11.3194 11.3194 11.8800 11.8800 k = 0.0000 1.0210 0.3373 ( 4554 PWs) bands (ev): -39.6136 -39.6136 -39.6085 -39.6085 -18.6339 -18.6339 -18.6185 -18.6185 -18.1500 -18.1500 -18.1374 -18.1374 -18.1093 -18.1093 -18.0852 -18.0852 -0.2543 -0.2543 0.4237 0.4237 0.7975 0.7975 3.2907 3.2907 5.3208 5.3208 6.3184 6.3184 7.1572 7.1572 7.5615 7.5615 7.9684 7.9684 8.0913 8.0913 8.9998 8.9998 9.4921 9.4921 11.2391 11.2391 11.3445 11.3445 11.9026 11.9026 k = 0.0000 1.0210 0.3614 ( 4558 PWs) bands (ev): -39.6134 -39.6134 -39.6084 -39.6084 -18.6341 -18.6341 -18.6190 -18.6190 -18.1497 -18.1497 -18.1376 -18.1376 -18.1102 -18.1102 -18.0865 -18.0865 -0.2219 -0.2219 0.4590 0.4590 0.8313 0.8313 3.2623 3.2623 5.3486 5.3486 6.3370 6.3370 7.0999 7.0999 7.4265 7.4265 7.8048 7.8048 8.0793 8.0793 8.9957 8.9957 9.4065 9.4065 11.2760 11.2760 11.3675 11.3675 11.9252 11.9252 k = 0.0000 1.0210 0.3855 ( 4552 PWs) bands (ev): -39.6133 -39.6133 -39.6084 -39.6084 -18.6343 -18.6343 -18.6196 -18.6196 -18.1494 -18.1494 -18.1378 -18.1378 -18.1112 -18.1112 -18.0877 -18.0877 -0.1873 -0.1873 0.4965 0.4965 0.8672 0.8672 3.2303 3.2303 5.3783 5.3783 6.3504 6.3504 7.0461 7.0461 7.2981 7.2981 7.6417 7.6417 8.0668 8.0668 8.9899 8.9899 9.3216 9.3216 11.3112 11.3112 11.3893 11.3893 11.9479 11.9479 k = 0.0000 1.0210 0.4096 ( 4548 PWs) bands (ev): -39.6131 -39.6131 -39.6083 -39.6083 -18.6344 -18.6344 -18.6201 -18.6201 -18.1491 -18.1491 -18.1381 -18.1381 -18.1121 -18.1121 -18.0890 -18.0890 -0.1505 -0.1505 0.5362 0.5362 0.9051 0.9051 3.1947 3.1947 5.4099 5.4099 6.3548 6.3548 6.9957 6.9957 7.1812 7.1812 7.4801 7.4801 8.0527 8.0527 8.9821 8.9821 9.2379 9.2379 11.3451 11.3451 11.4106 11.4106 11.9704 11.9704 k = 0.0000 1.0210 0.4337 ( 4546 PWs) bands (ev): -39.6129 -39.6129 -39.6083 -39.6083 -18.6346 -18.6346 -18.6207 -18.6207 -18.1488 -18.1488 -18.1384 -18.1384 -18.1130 -18.1130 -18.0903 -18.0903 -0.1116 -0.1116 0.5779 0.5779 0.9448 0.9448 3.1552 3.1552 5.4433 5.4433 6.3447 6.3447 6.9485 6.9485 7.0824 7.0824 7.3208 7.3208 8.0365 8.0365 8.9720 8.9720 9.1557 9.1557 11.3783 11.3783 11.4320 11.4320 11.9926 11.9926 k = 0.0000 1.0210 0.4578 ( 4546 PWs) bands (ev): -39.6127 -39.6127 -39.6082 -39.6082 -18.6348 -18.6348 -18.6213 -18.6213 -18.1485 -18.1485 -18.1387 -18.1387 -18.1139 -18.1139 -18.0917 -18.0917 -0.0705 -0.0705 0.6217 0.6217 0.9862 0.9862 3.1118 3.1118 5.4783 5.4783 6.3136 6.3136 6.9037 6.9037 7.0081 7.0081 7.1658 7.1658 8.0175 8.0175 8.9595 8.9595 9.0758 9.0758 11.4110 11.4110 11.4541 11.4541 12.0144 12.0144 k = 0.0000 1.0210 0.4819 ( 4552 PWs) bands (ev): -39.6125 -39.6125 -39.6082 -39.6082 -18.6350 -18.6350 -18.6219 -18.6219 -18.1482 -18.1482 -18.1390 -18.1390 -18.1148 -18.1148 -18.0930 -18.0930 -0.0273 -0.0273 0.6673 0.6673 1.0293 1.0293 3.0645 3.0645 5.5150 5.5150 6.2571 6.2571 6.8589 6.8589 6.9581 6.9581 7.0226 7.0226 7.9955 7.9955 8.9428 8.9428 9.0003 9.0003 11.4434 11.4434 11.4777 11.4777 12.0357 12.0357 k = 0.0000 1.0210 0.5060 ( 4546 PWs) bands (ev): -39.6123 -39.6123 -39.6081 -39.6081 -18.6352 -18.6352 -18.6226 -18.6226 -18.1480 -18.1480 -18.1394 -18.1394 -18.1156 -18.1156 -18.0943 -18.0943 0.0180 0.0180 0.7149 0.7149 1.0739 1.0739 3.0133 3.0133 5.5530 5.5530 6.1766 6.1766 6.7907 6.7907 6.8971 6.8971 6.9497 6.9497 7.9702 7.9702 8.9071 8.9071 8.9443 8.9443 11.4757 11.4757 11.5031 11.5031 12.0566 12.0566 k = 0.0000 1.0210 0.5301 ( 4550 PWs) bands (ev): -39.6121 -39.6121 -39.6081 -39.6081 -18.6353 -18.6353 -18.6232 -18.6232 -18.1478 -18.1478 -18.1397 -18.1397 -18.1164 -18.1164 -18.0956 -18.0956 0.0654 0.0654 0.7641 0.7641 1.1198 1.1198 2.9583 2.9583 5.5923 5.5923 6.0782 6.0782 6.6678 6.6678 6.8537 6.8537 6.9442 6.9442 7.9412 7.9412 8.8412 8.8412 8.9195 8.9195 11.5079 11.5079 11.5310 11.5310 12.0769 12.0769 k = 0.0000 1.0210 0.5542 ( 4552 PWs) bands (ev): -39.6119 -39.6119 -39.6080 -39.6080 -18.6355 -18.6355 -18.6239 -18.6239 -18.1477 -18.1477 -18.1401 -18.1401 -18.1171 -18.1171 -18.0970 -18.0970 0.1148 0.1148 0.8150 0.8150 1.1669 1.1669 2.8998 2.8998 5.6323 5.6323 5.9687 5.9687 6.5274 6.5274 6.8339 6.8339 6.9568 6.9568 7.9084 7.9084 8.7724 8.7724 8.8987 8.8987 11.5403 11.5403 11.5615 11.5615 12.0967 12.0967 k = 0.0000 1.0210 0.5783 ( 4554 PWs) bands (ev): -39.6117 -39.6117 -39.6080 -39.6080 -18.6357 -18.6357 -18.6246 -18.6246 -18.1475 -18.1475 -18.1405 -18.1405 -18.1177 -18.1177 -18.0982 -18.0982 0.1663 0.1663 0.8674 0.8674 1.2150 1.2150 2.8377 2.8377 5.6722 5.6722 5.8535 5.8535 6.3869 6.3869 6.8235 6.8235 6.9801 6.9801 7.8719 7.8719 8.7058 8.7058 8.8770 8.8770 11.5734 11.5734 11.5944 11.5944 12.1161 12.1161 k = 0.0000 1.0210 0.6024 ( 4552 PWs) bands (ev): -39.6115 -39.6115 -39.6080 -39.6080 -18.6358 -18.6358 -18.6252 -18.6252 -18.1475 -18.1475 -18.1409 -18.1409 -18.1183 -18.1183 -18.0995 -18.0995 0.2198 0.2198 0.9211 0.9211 1.2638 1.2638 2.7724 2.7724 5.7073 5.7073 5.7392 5.7392 6.2511 6.2511 6.8196 6.8196 7.0099 7.0099 7.8317 7.8317 8.6423 8.6423 8.8539 8.8539 11.6079 11.6079 11.6292 11.6292 12.1353 12.1353 k = 0.0000 1.0210 0.6265 ( 4552 PWs) bands (ev): -39.6113 -39.6113 -39.6079 -39.6079 -18.6360 -18.6360 -18.6259 -18.6259 -18.1474 -18.1474 -18.1414 -18.1414 -18.1188 -18.1188 -18.1007 -18.1007 0.2752 0.2752 0.9760 0.9760 1.3130 1.3130 2.7041 2.7041 5.6164 5.6164 5.7452 5.7452 6.1253 6.1253 6.8216 6.8216 7.0435 7.0435 7.7884 7.7884 8.5820 8.5820 8.8291 8.8291 11.6442 11.6442 11.6655 11.6655 12.1542 12.1542 k = 0.0000 1.0210 0.6506 ( 4558 PWs) bands (ev): -39.6111 -39.6111 -39.6079 -39.6079 -18.6361 -18.6361 -18.6266 -18.6266 -18.1475 -18.1475 -18.1418 -18.1418 -18.1191 -18.1191 -18.1019 -18.1019 0.3326 0.3326 1.0318 1.0318 1.3624 1.3624 2.6332 2.6332 5.5009 5.5009 5.7585 5.7585 6.0234 6.0234 6.8291 6.8291 7.0787 7.0787 7.7423 7.7423 8.5250 8.5250 8.8028 8.8028 11.6825 11.6825 11.7033 11.7033 12.1730 12.1730 k = 0.0000 1.0210 0.6747 ( 4556 PWs) bands (ev): -39.6109 -39.6109 -39.6079 -39.6079 -18.6362 -18.6362 -18.6273 -18.6273 -18.1475 -18.1475 -18.1423 -18.1423 -18.1194 -18.1194 -18.1031 -18.1031 0.3919 0.3919 1.0884 1.0884 1.4116 1.4116 2.5598 2.5598 5.3881 5.3881 5.7223 5.7223 5.9764 5.9764 6.8416 6.8416 7.1137 7.1137 7.6945 7.6945 8.4713 8.4713 8.7749 8.7749 11.7224 11.7224 11.7427 11.7427 12.1918 12.1918 k = 0.0000 1.0210 0.6988 ( 4554 PWs) bands (ev): -39.6107 -39.6107 -39.6079 -39.6079 -18.6363 -18.6363 -18.6280 -18.6280 -18.1476 -18.1476 -18.1427 -18.1427 -18.1196 -18.1196 -18.1042 -18.1042 0.4531 0.4531 1.1453 1.1453 1.4601 1.4601 2.4843 2.4843 5.2792 5.2792 5.6339 5.6339 5.9873 5.9873 6.8590 6.8590 7.1464 7.1464 7.6462 7.6462 8.4210 8.4210 8.7455 8.7455 11.7633 11.7633 11.7840 11.7840 12.2109 12.2109 k = 0.0000 1.0210 0.7229 ( 4558 PWs) bands (ev): -39.6105 -39.6105 -39.6079 -39.6079 -18.6364 -18.6364 -18.6287 -18.6287 -18.1477 -18.1477 -18.1432 -18.1432 -18.1197 -18.1197 -18.1053 -18.1053 0.5161 0.5161 1.2024 1.2024 1.5076 1.5076 2.4071 2.4071 5.1752 5.1752 5.5259 5.5259 6.0235 6.0235 6.8808 6.8808 7.1744 7.1744 7.5995 7.5995 8.3742 8.3742 8.7147 8.7147 11.8045 11.8045 11.8275 11.8275 12.2303 12.2303 k = 0.0000 1.0210 0.7470 ( 4554 PWs) bands (ev): -39.6103 -39.6103 -39.6079 -39.6079 -18.6364 -18.6364 -18.6293 -18.6293 -18.1478 -18.1478 -18.1437 -18.1437 -18.1197 -18.1197 -18.1063 -18.1063 0.5808 0.5808 1.2591 1.2591 1.5535 1.5535 2.3285 2.3285 5.0769 5.0769 5.4145 5.4145 6.0691 6.0691 6.9068 6.9068 7.1941 7.1941 7.5572 7.5572 8.3312 8.3312 8.6825 8.6825 11.8451 11.8451 11.8735 11.8735 12.2502 12.2502 k = 0.0000 1.0210 0.7711 ( 4552 PWs) bands (ev): -39.6101 -39.6101 -39.6079 -39.6079 -18.6364 -18.6364 -18.6299 -18.6299 -18.1479 -18.1479 -18.1442 -18.1442 -18.1196 -18.1196 -18.1073 -18.1073 0.6473 0.6473 1.3151 1.3151 1.5972 1.5972 2.2489 2.2489 4.9852 4.9852 5.3051 5.3051 6.1193 6.1193 6.9364 6.9364 7.2011 7.2011 7.5232 7.5232 8.2924 8.2924 8.6489 8.6489 11.8851 11.8851 11.9212 11.9212 12.2707 12.2707 k = 0.0000 1.0210 0.7951 ( 4548 PWs) bands (ev): -39.6099 -39.6099 -39.6079 -39.6079 -18.6364 -18.6364 -18.6305 -18.6305 -18.1480 -18.1480 -18.1446 -18.1446 -18.1194 -18.1194 -18.1083 -18.1083 0.7155 0.7155 1.3698 1.3698 1.6381 1.6381 2.1687 2.1687 4.9009 4.9009 5.1999 5.1999 6.1721 6.1721 6.9692 6.9692 7.1915 7.1915 7.5005 7.5005 8.2585 8.2585 8.6142 8.6142 11.9244 11.9244 11.9698 11.9698 12.2918 12.2918 k = 0.0000 1.0210 0.8192 ( 4548 PWs) bands (ev): -39.6097 -39.6097 -39.6080 -39.6080 -18.6364 -18.6364 -18.6311 -18.6311 -18.1481 -18.1481 -18.1451 -18.1451 -18.1192 -18.1192 -18.1092 -18.1092 0.7852 0.7852 1.4223 1.4223 1.6755 1.6755 2.0884 2.0884 4.8249 4.8249 5.1002 5.1002 6.2269 6.2269 7.0043 7.0043 7.1651 7.1651 7.4888 7.4888 8.2306 8.2306 8.5783 8.5783 11.9627 11.9627 12.0181 12.0181 12.3137 12.3137 k = 0.0000 1.0210 0.8433 ( 4552 PWs) bands (ev): -39.6095 -39.6095 -39.6080 -39.6080 -18.6363 -18.6363 -18.6317 -18.6317 -18.1482 -18.1482 -18.1456 -18.1456 -18.1189 -18.1189 -18.1101 -18.1101 0.8564 0.8564 1.4717 1.4717 1.7087 1.7087 2.0087 2.0087 4.7579 4.7579 5.0070 5.0070 6.2832 6.2832 7.0398 7.0398 7.1271 7.1271 7.4835 7.4835 8.2096 8.2096 8.5416 8.5416 12.0000 12.0000 12.0647 12.0647 12.3361 12.3361 k = 0.0000 1.0210 0.8674 ( 4548 PWs) bands (ev): -39.6094 -39.6094 -39.6081 -39.6081 -18.6362 -18.6362 -18.6322 -18.6322 -18.1482 -18.1482 -18.1460 -18.1460 -18.1185 -18.1185 -18.1109 -18.1109 0.9290 0.9290 1.5162 1.5162 1.7369 1.7369 1.9311 1.9311 4.7008 4.7008 4.9209 4.9209 6.3408 6.3408 7.0540 7.0540 7.1031 7.1031 7.4789 7.4789 8.1966 8.1966 8.5041 8.5041 12.0359 12.0359 12.1078 12.1078 12.3590 12.3590 k = 0.0000 1.0210 0.8915 ( 4548 PWs) bands (ev): -39.6092 -39.6092 -39.6081 -39.6081 -18.6361 -18.6361 -18.6328 -18.6328 -18.1483 -18.1483 -18.1464 -18.1464 -18.1181 -18.1181 -18.1117 -18.1117 1.0029 1.0029 1.5527 1.5527 1.7596 1.7596 1.8582 1.8582 4.6543 4.6543 4.8429 4.8429 6.3995 6.3995 7.0095 7.0095 7.1337 7.1337 7.4708 7.4708 8.1923 8.1923 8.4662 8.4662 12.0701 12.0701 12.1453 12.1453 12.3819 12.3819 k = 0.0000 1.0210 0.9156 ( 4550 PWs) bands (ev): -39.6091 -39.6091 -39.6082 -39.6082 -18.6359 -18.6359 -18.6332 -18.6332 -18.1483 -18.1483 -18.1468 -18.1468 -18.1177 -18.1177 -18.1125 -18.1125 1.0779 1.0779 1.5737 1.5737 1.7762 1.7762 1.7970 1.7970 4.6193 4.6193 4.7738 4.7738 6.4591 6.4591 6.9522 6.9522 7.1748 7.1748 7.4569 7.4569 8.1967 8.1967 8.4281 8.4281 12.1021 12.1021 12.1751 12.1751 12.4042 12.4042 k = 0.0000 1.0210 0.9397 ( 4552 PWs) bands (ev): -39.6089 -39.6089 -39.6083 -39.6083 -18.6357 -18.6357 -18.6337 -18.6337 -18.1482 -18.1482 -18.1471 -18.1471 -18.1172 -18.1172 -18.1133 -18.1133 1.1538 1.1538 1.5648 1.5648 1.7612 1.7612 1.7862 1.7862 4.5961 4.5961 4.7143 4.7143 6.5196 6.5196 6.8917 6.8917 7.2174 7.2174 7.4364 7.4364 8.2092 8.2092 8.3903 8.3903 12.1315 12.1315 12.1954 12.1954 12.4252 12.4252 k = 0.0000 1.0210 0.9638 ( 4552 PWs) bands (ev): -39.6088 -39.6088 -39.6083 -39.6083 -18.6355 -18.6355 -18.6341 -18.6341 -18.1482 -18.1482 -18.1474 -18.1474 -18.1166 -18.1166 -18.1140 -18.1140 1.2302 1.2302 1.5203 1.5203 1.7561 1.7561 1.7896 1.7896 4.5853 4.5853 4.6653 4.6653 6.5808 6.5808 6.8299 6.8299 7.2600 7.2600 7.4096 7.4096 8.2289 8.2289 8.3533 8.3533 12.1576 12.1576 12.2052 12.2052 12.4443 12.4443 k = 0.0000 1.0210 0.9879 ( 4552 PWs) bands (ev): -39.6087 -39.6087 -39.6084 -39.6084 -18.6352 -18.6352 -18.6345 -18.6345 -18.1480 -18.1480 -18.1477 -18.1477 -18.1160 -18.1160 -18.1147 -18.1147 1.3068 1.3068 1.4554 1.4554 1.7660 1.7660 1.7865 1.7865 4.5869 4.5869 4.6273 4.6273 6.6427 6.6427 6.7675 6.7675 7.3016 7.3016 7.3775 7.3775 8.2545 8.2545 8.3178 8.3178 12.1794 12.1794 12.2049 12.2049 12.4609 12.4609 k = 0.0000 1.0210 1.0120 ( 4556 PWs) bands (ev): -39.6085 -39.6085 -39.6085 -39.6085 -18.6349 -18.6349 -18.6349 -18.6349 -18.1479 -18.1479 -18.1479 -18.1479 -18.1154 -18.1154 -18.1154 -18.1154 1.3825 1.3825 1.3825 1.3825 1.7779 1.7779 1.7779 1.7779 4.6010 4.6010 4.6010 4.6010 6.7050 6.7050 6.7050 6.7050 7.3411 7.3411 7.3411 7.3411 8.2845 8.2845 8.2845 8.2845 12.1957 12.1957 12.1957 12.1957 12.4749 12.4749 k = 0.0000 1.0210 1.0120 ( 4556 PWs) bands (ev): -39.6085 -39.6085 -39.6085 -39.6085 -18.6349 -18.6349 -18.6349 -18.6349 -18.1479 -18.1479 -18.1479 -18.1479 -18.1154 -18.1154 -18.1154 -18.1154 1.3825 1.3825 1.3825 1.3825 1.7779 1.7779 1.7779 1.7779 4.6010 4.6010 4.6010 4.6010 6.7050 6.7050 6.7050 6.7050 7.3411 7.3411 7.3411 7.3411 8.2845 8.2845 8.2845 8.2845 12.1957 12.1957 12.1957 12.1957 12.4749 12.4749 k = 0.0243 1.0210 1.0120 ( 4552 PWs) bands (ev): -39.6085 -39.6085 -39.6085 -39.6085 -18.6349 -18.6349 -18.6349 -18.6349 -18.1479 -18.1479 -18.1478 -18.1478 -18.1154 -18.1154 -18.1154 -18.1154 1.3826 1.3826 1.3826 1.3826 1.7776 1.7776 1.7776 1.7776 4.6008 4.6008 4.6012 4.6012 6.7074 6.7074 6.7083 6.7083 7.3363 7.3363 7.3386 7.3386 8.2864 8.2864 8.2864 8.2864 12.1894 12.1894 12.1949 12.1949 12.4743 12.4747 k = 0.0486 1.0210 1.0120 ( 4550 PWs) bands (ev): -39.6085 -39.6085 -39.6085 -39.6085 -18.6349 -18.6349 -18.6348 -18.6348 -18.1479 -18.1479 -18.1478 -18.1478 -18.1154 -18.1154 -18.1153 -18.1153 1.3829 1.3829 1.3830 1.3830 1.7764 1.7764 1.7764 1.7764 4.6005 4.6005 4.6014 4.6014 6.7153 6.7153 6.7173 6.7173 7.3246 7.3246 7.3291 7.3291 8.2919 8.2919 8.2920 8.2920 12.1765 12.1765 12.1873 12.1873 12.4737 12.4750 k = 0.0728 1.0210 1.0120 ( 4558 PWs) bands (ev): -39.6085 -39.6085 -39.6085 -39.6085 -18.6349 -18.6349 -18.6349 -18.6349 -18.1480 -18.1480 -18.1478 -18.1478 -18.1155 -18.1155 -18.1153 -18.1153 1.3834 1.3834 1.3835 1.3835 1.7745 1.7745 1.7746 1.7746 4.6003 4.6003 4.6015 4.6015 6.7287 6.7287 6.7318 6.7318 7.3063 7.3063 7.3133 7.3133 8.3003 8.3003 8.3005 8.3005 12.1582 12.1582 12.1736 12.1736 12.4729 12.4752 k = 0.0971 1.0210 1.0120 ( 4560 PWs) bands (ev): -39.6085 -39.6085 -39.6085 -39.6085 -18.6349 -18.6349 -18.6348 -18.6348 -18.1480 -18.1480 -18.1478 -18.1478 -18.1155 -18.1155 -18.1153 -18.1153 1.3840 1.3840 1.3841 1.3841 1.7720 1.7720 1.7721 1.7721 4.6002 4.6002 4.6018 4.6018 6.7472 6.7472 6.7517 6.7517 7.2825 7.2825 7.2920 7.2920 8.3107 8.3107 8.3110 8.3110 12.1361 12.1361 12.1553 12.1553 12.4731 12.4752 k = 0.1214 1.0210 1.0120 ( 4564 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6349 -18.6349 -18.6348 -18.6348 -18.1480 -18.1480 -18.1477 -18.1477 -18.1155 -18.1155 -18.1152 -18.1152 1.3846 1.3846 1.3847 1.3847 1.7689 1.7689 1.7690 1.7690 4.6003 4.6003 4.6023 4.6023 6.7703 6.7703 6.7766 6.7766 7.2542 7.2542 7.2664 7.2664 8.3219 8.3219 8.3222 8.3222 12.1119 12.1119 12.1342 12.1342 12.4745 12.4754 k = 0.1457 1.0210 1.0120 ( 4572 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6349 -18.6349 -18.6348 -18.6348 -18.1480 -18.1480 -18.1477 -18.1477 -18.1156 -18.1156 -18.1152 -18.1152 1.3851 1.3851 1.3853 1.3853 1.7654 1.7654 1.7656 1.7656 4.6008 4.6008 4.6031 4.6031 6.7975 6.7975 6.8061 6.8061 7.2225 7.2225 7.2379 7.2379 8.3327 8.3327 8.3331 8.3331 12.0875 12.0875 12.1122 12.1122 12.4761 12.4772 k = 0.1700 1.0210 1.0120 ( 4572 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6349 -18.6349 -18.6348 -18.6348 -18.1480 -18.1480 -18.1477 -18.1477 -18.1156 -18.1156 -18.1152 -18.1152 1.3855 1.3855 1.3857 1.3857 1.7616 1.7616 1.7618 1.7618 4.6019 4.6019 4.6044 4.6044 6.8276 6.8276 6.8394 6.8394 7.1887 7.1887 7.2080 7.2080 8.3420 8.3420 8.3425 8.3425 12.0645 12.0645 12.0910 12.0910 12.4750 12.4765 k = 0.1943 1.0210 1.0120 ( 4566 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6349 -18.6349 -18.6348 -18.6348 -18.1480 -18.1480 -18.1476 -18.1476 -18.1156 -18.1156 -18.1152 -18.1152 1.3856 1.3856 1.3858 1.3858 1.7577 1.7577 1.7579 1.7579 4.6036 4.6036 4.6063 4.6063 6.8593 6.8593 6.8756 6.8756 7.1541 7.1541 7.1787 7.1787 8.3489 8.3489 8.3495 8.3495 12.0446 12.0446 12.0723 12.0723 12.4762 12.4785 k = 0.2185 1.0210 1.0120 ( 4556 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6348 -18.6348 -18.6347 -18.6347 -18.1479 -18.1479 -18.1476 -18.1476 -18.1155 -18.1155 -18.1151 -18.1151 1.3852 1.3852 1.3854 1.3854 1.7538 1.7538 1.7540 1.7540 4.6062 4.6062 4.6091 4.6091 6.8899 6.8899 6.9128 6.9128 7.1209 7.1209 7.1526 7.1526 8.3526 8.3526 8.3532 8.3532 12.0288 12.0288 12.0572 12.0572 12.4774 12.4798 k = 0.2428 1.0210 1.0120 ( 4560 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6348 -18.6348 -18.6347 -18.6347 -18.1479 -18.1479 -18.1476 -18.1476 -18.1155 -18.1155 -18.1151 -18.1151 1.3841 1.3841 1.3843 1.3843 1.7502 1.7502 1.7504 1.7504 4.6098 4.6098 4.6127 4.6127 6.9149 6.9149 6.9463 6.9463 7.0938 7.0938 7.1345 7.1345 8.3526 8.3526 8.3531 8.3531 12.0180 12.0180 12.0467 12.0467 12.4784 12.4804 k = 0.2671 1.0210 1.0120 ( 4562 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6348 -18.6348 -18.6347 -18.6347 -18.1479 -18.1479 -18.1476 -18.1476 -18.1155 -18.1155 -18.1151 -18.1151 1.3822 1.3822 1.3824 1.3824 1.7471 1.7471 1.7474 1.7474 4.6144 4.6144 4.6175 4.6175 6.9277 6.9277 6.9640 6.9640 7.0849 7.0849 7.1308 7.1308 8.3489 8.3489 8.3491 8.3491 12.0126 12.0126 12.0413 12.0413 12.4781 12.4803 k = 0.2671 1.0210 1.0120 ( 4562 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6348 -18.6348 -18.6347 -18.6347 -18.1479 -18.1479 -18.1476 -18.1476 -18.1155 -18.1155 -18.1151 -18.1151 1.3822 1.3822 1.3824 1.3824 1.7471 1.7471 1.7474 1.7474 4.6144 4.6144 4.6175 4.6175 6.9277 6.9277 6.9640 6.9640 7.0849 7.0849 7.1308 7.1308 8.3489 8.3489 8.3491 8.3491 12.0126 12.0126 12.0413 12.0413 12.4797 12.4811 k = 0.2610 0.9978 1.0120 ( 4558 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6349 -18.6349 -18.6348 -18.6348 -18.1480 -18.1480 -18.1476 -18.1476 -18.1156 -18.1156 -18.1151 -18.1151 1.3883 1.3883 1.3885 1.3885 1.7581 1.7581 1.7582 1.7582 4.5990 4.5990 4.6018 4.6018 6.9097 6.9097 6.9487 6.9487 7.0625 7.0625 7.1100 7.1100 8.3717 8.3717 8.3728 8.3728 12.0171 12.0171 12.0468 12.0468 12.4874 12.4882 k = 0.2550 0.9746 1.0120 ( 4550 PWs) bands (ev): -39.6085 -39.6085 -39.6085 -39.6085 -18.6349 -18.6349 -18.6348 -18.6348 -18.1481 -18.1481 -18.1476 -18.1476 -18.1156 -18.1156 -18.1151 -18.1151 1.3876 1.3876 1.3880 1.3880 1.7691 1.7691 1.7692 1.7692 4.5934 4.5934 4.5960 4.5960 6.8911 6.8911 6.9328 6.9328 7.0414 7.0414 7.0906 7.0906 8.3960 8.3960 8.3981 8.3981 12.0086 12.0086 12.0388 12.0388 12.5051 12.5055 k = 0.2489 0.9514 1.0120 ( 4554 PWs) bands (ev): -39.6085 -39.6085 -39.6085 -39.6085 -18.6349 -18.6349 -18.6348 -18.6348 -18.1481 -18.1481 -18.1476 -18.1476 -18.1157 -18.1157 -18.1151 -18.1151 1.3804 1.3804 1.3808 1.3808 1.7802 1.7802 1.7802 1.7802 4.5976 4.5976 4.5999 4.5999 6.8705 6.8705 6.9137 6.9137 7.0246 7.0246 7.0743 7.0743 8.4219 8.4219 8.4248 8.4248 11.9857 11.9857 12.0159 12.0159 12.5369 12.5374 k = 0.2428 0.9282 1.0120 ( 4554 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6349 -18.6349 -18.6348 -18.6348 -18.1481 -18.1481 -18.1475 -18.1475 -18.1157 -18.1157 -18.1151 -18.1151 1.3667 1.3667 1.3672 1.3672 1.7910 1.7910 1.7910 1.7910 4.6116 4.6116 4.6135 4.6135 6.8462 6.8462 6.8888 6.8888 7.0150 7.0150 7.0630 7.0630 8.4495 8.4495 8.4532 8.4532 11.9499 11.9499 11.9798 11.9798 12.5764 12.5772 k = 0.2368 0.9050 1.0120 ( 4546 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6348 -18.6348 -18.6347 -18.6347 -18.1480 -18.1480 -18.1473 -18.1473 -18.1157 -18.1157 -18.1151 -18.1151 1.3470 1.3470 1.3476 1.3476 1.8014 1.8014 1.8015 1.8015 4.6350 4.6350 4.6365 4.6365 6.8174 6.8174 6.8574 6.8574 7.0137 7.0137 7.0582 7.0582 8.4787 8.4787 8.4833 8.4833 11.9038 11.9038 11.9334 11.9334 12.6145 12.6153 k = 0.2307 0.8818 1.0120 ( 4546 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6348 -18.6348 -18.6346 -18.6346 -18.1479 -18.1479 -18.1471 -18.1471 -18.1158 -18.1158 -18.1151 -18.1151 1.3219 1.3219 1.3226 1.3226 1.8111 1.8111 1.8112 1.8112 4.6674 4.6674 4.6684 4.6684 6.7838 6.7838 6.8208 6.8208 7.0199 7.0199 7.0602 7.0602 8.5097 8.5097 8.5150 8.5150 11.8500 11.8500 11.8796 11.8796 12.6408 12.6415 k = 0.2246 0.8586 1.0120 ( 4556 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6347 -18.6347 -18.6345 -18.6345 -18.1477 -18.1477 -18.1468 -18.1468 -18.1158 -18.1158 -18.1151 -18.1151 1.2920 1.2920 1.2928 1.2928 1.8199 1.8199 1.8199 1.8199 4.7084 4.7084 4.7088 4.7088 6.7460 6.7460 6.7804 6.7804 7.0325 7.0325 7.0691 7.0691 8.5423 8.5423 8.5484 8.5484 11.7909 11.7909 11.8204 11.8204 12.6542 12.6565 k = 0.2185 0.8354 1.0120 ( 4548 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6345 -18.6345 -18.6343 -18.6343 -18.1474 -18.1474 -18.1465 -18.1465 -18.1158 -18.1158 -18.1151 -18.1151 1.2579 1.2579 1.2588 1.2588 1.8275 1.8275 1.8276 1.8276 4.7570 4.7570 4.7574 4.7574 6.7050 6.7050 6.7376 6.7376 7.0507 7.0507 7.0844 7.0844 8.5766 8.5766 8.5835 8.5835 11.7280 11.7280 11.7577 11.7577 12.6610 12.6623 k = 0.2125 0.8122 1.0120 ( 4548 PWs) bands (ev): -39.6087 -39.6087 -39.6087 -39.6087 -18.6344 -18.6344 -18.6341 -18.6341 -18.1471 -18.1471 -18.1461 -18.1461 -18.1158 -18.1158 -18.1151 -18.1151 1.2202 1.2202 1.2212 1.2212 1.8339 1.8339 1.8339 1.8339 4.8123 4.8123 4.8138 4.8138 6.6618 6.6618 6.6934 6.6934 7.0741 7.0741 7.1054 7.1054 8.6126 8.6126 8.6202 8.6202 11.6626 11.6626 11.6925 11.6925 12.6652 12.6656 k = 0.2064 0.7890 1.0120 ( 4540 PWs) bands (ev): -39.6087 -39.6087 -39.6087 -39.6087 -18.6341 -18.6341 -18.6338 -18.6338 -18.1467 -18.1467 -18.1456 -18.1456 -18.1158 -18.1158 -18.1151 -18.1151 1.1795 1.1795 1.1806 1.1806 1.8389 1.8389 1.8390 1.8390 4.8741 4.8741 4.8767 4.8767 6.6171 6.6171 6.6485 6.6485 7.1022 7.1022 7.1319 7.1319 8.6501 8.6501 8.6585 8.6585 11.5957 11.5957 11.6260 11.6260 12.6662 12.6670 k = 0.2003 0.7658 1.0120 ( 4548 PWs) bands (ev): -39.6088 -39.6088 -39.6088 -39.6088 -18.6339 -18.6339 -18.6336 -18.6336 -18.1463 -18.1463 -18.1452 -18.1452 -18.1158 -18.1158 -18.1150 -18.1150 1.1364 1.1364 1.1376 1.1376 1.8425 1.8425 1.8426 1.8426 4.9413 4.9413 4.9454 4.9454 6.5720 6.5720 6.6038 6.6038 7.1350 7.1350 7.1634 7.1634 8.6891 8.6891 8.6982 8.6982 11.5281 11.5281 11.5588 11.5588 12.6665 12.6672 k = 0.1943 0.7426 1.0120 ( 4548 PWs) bands (ev): -39.6088 -39.6088 -39.6088 -39.6088 -18.6337 -18.6337 -18.6333 -18.6333 -18.1459 -18.1459 -18.1447 -18.1447 -18.1158 -18.1158 -18.1150 -18.1150 1.0913 1.0913 1.0925 1.0925 1.8447 1.8447 1.8449 1.8449 5.0131 5.0131 5.0189 5.0189 6.5275 6.5275 6.5602 6.5602 7.1721 7.1721 7.1997 7.1997 8.7294 8.7294 8.7394 8.7394 11.4604 11.4604 11.4917 11.4917 12.6657 12.6661 k = 0.1882 0.7194 1.0120 ( 4548 PWs) bands (ev): -39.6089 -39.6089 -39.6089 -39.6089 -18.6334 -18.6334 -18.6330 -18.6330 -18.1454 -18.1454 -18.1441 -18.1441 -18.1157 -18.1157 -18.1149 -18.1149 1.0447 1.0447 1.0460 1.0460 1.8456 1.8456 1.8458 1.8458 5.0883 5.0883 5.0961 5.0961 6.4845 6.4845 6.5188 6.5188 7.2135 7.2135 7.2405 7.2405 8.7711 8.7711 8.7820 8.7820 11.3933 11.3933 11.4251 11.4251 12.6644 12.6647 k = 0.1821 0.6962 1.0120 ( 4548 PWs) bands (ev): -39.6090 -39.6090 -39.6090 -39.6090 -18.6331 -18.6331 -18.6326 -18.6326 -18.1449 -18.1449 -18.1436 -18.1436 -18.1156 -18.1156 -18.1148 -18.1148 0.9971 0.9971 0.9984 0.9984 1.8452 1.8452 1.8455 1.8455 5.1654 5.1654 5.1758 5.1758 6.4442 6.4442 6.4807 6.4807 7.2590 7.2590 7.2855 7.2855 8.8140 8.8140 8.8257 8.8257 11.3270 11.3270 11.3596 11.3596 12.6621 12.6624 k = 0.1760 0.6730 1.0120 ( 4556 PWs) bands (ev): -39.6090 -39.6090 -39.6090 -39.6090 -18.6328 -18.6328 -18.6323 -18.6323 -18.1444 -18.1444 -18.1430 -18.1430 -18.1155 -18.1155 -18.1147 -18.1147 0.9488 0.9488 0.9502 0.9502 1.8435 1.8435 1.8439 1.8439 5.2428 5.2428 5.2561 5.2561 6.4083 6.4083 6.4476 6.4476 7.3084 7.3084 7.3346 7.3346 8.8579 8.8579 8.8707 8.8707 11.2620 11.2620 11.2954 11.2954 12.6591 12.6594 k = 0.1700 0.6498 1.0120 ( 4556 PWs) bands (ev): -39.6091 -39.6091 -39.6091 -39.6091 -18.6325 -18.6325 -18.6319 -18.6319 -18.1439 -18.1439 -18.1425 -18.1425 -18.1154 -18.1154 -18.1145 -18.1145 0.9001 0.9001 0.9016 0.9016 1.8407 1.8407 1.8412 1.8412 5.3182 5.3182 5.3349 5.3349 6.3788 6.3788 6.4214 6.4214 7.3617 7.3617 7.3876 7.3876 8.9027 8.9027 8.9166 8.9166 11.1988 11.1988 11.2331 11.2331 12.6556 12.6559 k = 0.1639 0.6266 1.0120 ( 4554 PWs) bands (ev): -39.6092 -39.6092 -39.6092 -39.6092 -18.6321 -18.6321 -18.6315 -18.6315 -18.1433 -18.1433 -18.1419 -18.1419 -18.1152 -18.1152 -18.1143 -18.1143 0.8515 0.8515 0.8529 0.8529 1.8369 1.8369 1.8374 1.8374 5.3888 5.3888 5.4094 5.4094 6.3584 6.3584 6.4047 6.4047 7.4186 7.4186 7.4443 7.4443 8.9483 8.9483 8.9635 8.9635 11.1375 11.1375 11.1728 11.1728 12.6515 12.6519 k = 0.1578 0.6033 1.0120 ( 4566 PWs) bands (ev): -39.6093 -39.6093 -39.6093 -39.6093 -18.6318 -18.6318 -18.6312 -18.6312 -18.1428 -18.1428 -18.1413 -18.1413 -18.1150 -18.1150 -18.1141 -18.1141 0.8030 0.8030 0.8045 0.8045 1.8321 1.8321 1.8327 1.8327 5.4515 5.4515 5.4758 5.4758 6.3505 6.3505 6.4005 6.4005 7.4790 7.4790 7.5044 7.5044 8.9945 8.9945 9.0111 9.0111 11.0786 11.0786 11.1150 11.1150 12.6470 12.6472 k = 0.1518 0.5801 1.0120 ( 4566 PWs) bands (ev): -39.6094 -39.6094 -39.6094 -39.6094 -18.6314 -18.6314 -18.6308 -18.6308 -18.1422 -18.1422 -18.1408 -18.1408 -18.1147 -18.1147 -18.1139 -18.1139 0.7551 0.7551 0.7566 0.7566 1.8266 1.8266 1.8272 1.8272 5.5028 5.5028 5.5302 5.5302 6.3590 6.3590 6.4120 6.4120 7.5427 7.5427 7.5679 7.5679 9.0412 9.0412 9.0594 9.0594 11.0223 11.0223 11.0600 11.0600 12.6418 12.6423 k = 0.1457 0.5569 1.0120 ( 4562 PWs) bands (ev): -39.6095 -39.6095 -39.6095 -39.6095 -18.6310 -18.6310 -18.6304 -18.6304 -18.1417 -18.1417 -18.1402 -18.1402 -18.1144 -18.1144 -18.1136 -18.1136 0.7079 0.7079 0.7094 0.7094 1.8203 1.8203 1.8209 1.8209 5.5400 5.5400 5.5692 5.5692 6.3871 6.3871 6.4417 6.4417 7.6097 7.6097 7.6345 7.6345 9.0881 9.0881 9.1082 9.1082 10.9689 10.9689 11.0081 11.0081 12.6363 12.6368 k = 0.1396 0.5337 1.0120 ( 4554 PWs) bands (ev): -39.6096 -39.6096 -39.6096 -39.6096 -18.6306 -18.6306 -18.6300 -18.6300 -18.1412 -18.1412 -18.1397 -18.1397 -18.1140 -18.1140 -18.1132 -18.1132 0.6616 0.6616 0.6631 0.6631 1.8134 1.8134 1.8140 1.8140 5.5622 5.5622 5.5913 5.5913 6.4359 6.4359 6.4904 6.4904 7.6797 7.6797 7.7040 7.7040 9.1351 9.1351 9.1572 9.1572 10.9187 10.9187 10.9596 10.9596 12.6302 12.6307 k = 0.1336 0.5105 1.0120 ( 4558 PWs) bands (ev): -39.6097 -39.6097 -39.6097 -39.6097 -18.6302 -18.6302 -18.6296 -18.6296 -18.1407 -18.1407 -18.1393 -18.1393 -18.1136 -18.1136 -18.1128 -18.1128 0.6164 0.6164 0.6178 0.6178 1.8059 1.8059 1.8066 1.8066 5.5700 5.5700 5.5977 5.5977 6.5039 6.5039 6.5569 6.5569 7.7525 7.7525 7.7762 7.7762 9.1819 9.1819 9.2063 9.2063 10.8720 10.8720 10.9147 10.9147 12.6237 12.6243 k = 0.1275 0.4873 1.0120 ( 4558 PWs) bands (ev): -39.6098 -39.6098 -39.6098 -39.6098 -18.6298 -18.6298 -18.6292 -18.6292 -18.1402 -18.1402 -18.1388 -18.1388 -18.1132 -18.1132 -18.1124 -18.1124 0.5724 0.5724 0.5738 0.5738 1.7980 1.7980 1.7988 1.7988 5.5661 5.5661 5.5914 5.5914 6.5881 6.5881 6.6385 6.6385 7.8281 7.8281 7.8510 7.8510 9.2283 9.2283 9.2554 9.2554 10.8291 10.8291 10.8738 10.8738 12.6167 12.6173 k = 0.1214 0.4641 1.0120 ( 4554 PWs) bands (ev): -39.6099 -39.6099 -39.6099 -39.6099 -18.6294 -18.6294 -18.6288 -18.6288 -18.1398 -18.1398 -18.1385 -18.1385 -18.1126 -18.1126 -18.1119 -18.1119 0.5298 0.5298 0.5312 0.5312 1.7899 1.7899 1.7906 1.7906 5.5532 5.5532 5.5758 5.5758 6.6844 6.6844 6.7319 6.7319 7.9063 7.9063 7.9281 7.9281 9.2741 9.2741 9.3042 9.3042 10.7903 10.7903 10.8373 10.8373 12.6089 12.6098 k = 0.1153 0.4409 1.0120 ( 4554 PWs) bands (ev): -39.6100 -39.6100 -39.6099 -39.6099 -18.6290 -18.6290 -18.6284 -18.6284 -18.1394 -18.1394 -18.1381 -18.1381 -18.1121 -18.1121 -18.1114 -18.1114 0.4887 0.4887 0.4900 0.4900 1.7815 1.7815 1.7822 1.7822 5.5339 5.5339 5.5540 5.5540 6.7896 6.7896 6.8341 6.8341 7.9868 7.9868 8.0073 8.0073 9.3190 9.3190 9.3525 9.3525 10.7559 10.7559 10.8053 10.8053 12.6006 12.6016 k = 0.1093 0.4177 1.0120 ( 4554 PWs) bands (ev): -39.6100 -39.6100 -39.6100 -39.6100 -18.6286 -18.6286 -18.6280 -18.6280 -18.1391 -18.1391 -18.1378 -18.1378 -18.1115 -18.1115 -18.1108 -18.1108 0.4491 0.4491 0.4505 0.4505 1.7729 1.7729 1.7737 1.7737 5.5105 5.5105 5.5281 5.5281 6.9008 6.9008 6.9424 6.9424 8.0696 8.0696 8.0884 8.0884 9.3630 9.3630 9.4003 9.4003 10.7262 10.7262 10.7782 10.7782 12.5911 12.5921 k = 0.1032 0.3945 1.0120 ( 4564 PWs) bands (ev): -39.6101 -39.6101 -39.6101 -39.6101 -18.6282 -18.6282 -18.6276 -18.6276 -18.1388 -18.1388 -18.1376 -18.1376 -18.1109 -18.1109 -18.1103 -18.1103 0.4113 0.4113 0.4126 0.4126 1.7644 1.7644 1.7651 1.7651 5.4845 5.4845 5.4999 5.4999 7.0159 7.0159 7.0546 7.0546 8.1544 8.1544 8.1711 8.1711 9.4058 9.4058 9.4472 9.4472 10.7016 10.7016 10.7563 10.7563 12.5796 12.5813 k = 0.0971 0.3713 1.0120 ( 4548 PWs) bands (ev): -39.6102 -39.6102 -39.6102 -39.6102 -18.6278 -18.6278 -18.6273 -18.6273 -18.1385 -18.1385 -18.1374 -18.1374 -18.1102 -18.1102 -18.1096 -18.1096 0.3753 0.3753 0.3765 0.3765 1.7558 1.7558 1.7566 1.7566 5.4571 5.4571 5.4707 5.4707 7.1331 7.1331 7.1690 7.1690 8.2410 8.2410 8.2551 8.2551 9.4476 9.4476 9.4935 9.4935 10.6823 10.6823 10.7398 10.7398 12.5656 12.5675 k = 0.0911 0.3481 1.0120 ( 4564 PWs) bands (ev): -39.6103 -39.6103 -39.6103 -39.6103 -18.6275 -18.6275 -18.6269 -18.6269 -18.1383 -18.1383 -18.1372 -18.1372 -18.1095 -18.1095 -18.1091 -18.1091 0.3412 0.3412 0.3423 0.3423 1.7474 1.7474 1.7481 1.7481 5.4292 5.4292 5.4411 5.4411 7.2507 7.2507 7.2839 7.2839 8.3291 8.3291 8.3401 8.3401 9.4883 9.4883 9.5390 9.5390 10.6684 10.6684 10.7288 10.7288 12.5468 12.5483 k = 0.0850 0.3249 1.0120 ( 4576 PWs) bands (ev): -39.6104 -39.6104 -39.6104 -39.6104 -18.6272 -18.6272 -18.6266 -18.6266 -18.1381 -18.1381 -18.1371 -18.1371 -18.1089 -18.1089 -18.1084 -18.1084 0.3089 0.3089 0.3100 0.3100 1.7392 1.7392 1.7399 1.7399 5.4015 5.4015 5.4120 5.4120 7.3675 7.3675 7.3979 7.3979 8.4182 8.4182 8.4256 8.4256 9.5283 9.5283 9.5840 9.5840 10.6601 10.6601 10.7234 10.7234 12.5210 12.5236 k = 0.0789 0.3017 1.0120 ( 4582 PWs) bands (ev): -39.6105 -39.6105 -39.6105 -39.6105 -18.6269 -18.6269 -18.6263 -18.6263 -18.1379 -18.1379 -18.1370 -18.1370 -18.1082 -18.1082 -18.1078 -18.1078 0.2787 0.2787 0.2798 0.2798 1.7313 1.7313 1.7319 1.7319 5.3745 5.3745 5.3837 5.3837 7.4820 7.4820 7.5095 7.5095 8.5077 8.5077 8.5109 8.5109 9.5682 9.5682 9.6291 9.6291 10.6575 10.6575 10.7234 10.7234 12.4802 12.4829 k = 0.0728 0.2785 1.0120 ( 4578 PWs) bands (ev): -39.6106 -39.6106 -39.6106 -39.6106 -18.6265 -18.6265 -18.6261 -18.6261 -18.1378 -18.1378 -18.1370 -18.1370 -18.1075 -18.1075 -18.1072 -18.1072 0.2505 0.2505 0.2515 0.2515 1.7237 1.7237 1.7243 1.7243 5.3486 5.3486 5.3567 5.3567 7.5932 7.5932 7.6177 7.6177 8.5955 8.5955 8.5968 8.5968 9.6089 9.6089 9.6749 9.6749 10.6605 10.6605 10.7288 10.7288 12.4243 12.4270 k = 0.0668 0.2553 1.0120 ( 4590 PWs) bands (ev): -39.6106 -39.6106 -39.6106 -39.6106 -18.6263 -18.6263 -18.6258 -18.6258 -18.1377 -18.1377 -18.1369 -18.1369 -18.1069 -18.1069 -18.1066 -18.1066 0.2244 0.2244 0.2254 0.2254 1.7165 1.7165 1.7171 1.7171 5.3240 5.3240 5.3311 5.3311 7.6996 7.6996 7.7212 7.7212 8.6781 8.6781 8.6842 8.6842 9.6516 9.6516 9.7225 9.7225 10.6686 10.6686 10.7389 10.7389 12.3571 12.3605 k = 0.0607 0.2321 1.0120 ( 4586 PWs) bands (ev): -39.6107 -39.6107 -39.6107 -39.6107 -18.6260 -18.6260 -18.6256 -18.6256 -18.1376 -18.1376 -18.1369 -18.1369 -18.1062 -18.1062 -18.1060 -18.1060 0.2005 0.2005 0.2013 0.2013 1.7097 1.7097 1.7103 1.7103 5.3010 5.3010 5.3072 5.3072 7.8004 7.8004 7.8189 7.8189 8.7575 8.7575 8.7685 8.7685 9.6978 9.6978 9.7729 9.7729 10.6815 10.6815 10.7534 10.7534 12.2822 12.2848 k = 0.0546 0.2089 1.0120 ( 4582 PWs) bands (ev): -39.6108 -39.6108 -39.6108 -39.6108 -18.6257 -18.6257 -18.6253 -18.6253 -18.1375 -18.1375 -18.1369 -18.1369 -18.1056 -18.1056 -18.1054 -18.1054 0.1788 0.1788 0.1795 0.1795 1.7035 1.7035 1.7040 1.7040 5.2798 5.2798 5.2852 5.2852 7.8944 7.8944 7.9099 7.9099 8.8324 8.8324 8.8476 8.8476 9.7491 9.7491 9.8275 9.8275 10.6985 10.6985 10.7713 10.7713 12.2026 12.2049 k = 0.0486 0.1856 1.0120 ( 4574 PWs) bands (ev): -39.6108 -39.6108 -39.6108 -39.6108 -18.6255 -18.6255 -18.6251 -18.6251 -18.1374 -18.1374 -18.1369 -18.1369 -18.1051 -18.1051 -18.1049 -18.1049 0.1592 0.1592 0.1599 0.1599 1.6977 1.6977 1.6982 1.6982 5.2606 5.2606 5.2652 5.2652 7.9807 7.9807 7.9934 7.9934 8.9012 8.9012 8.9196 8.9196 9.8072 9.8072 9.8873 9.8873 10.7187 10.7187 10.7918 10.7918 12.1221 12.1245 k = 0.0425 0.1624 1.0120 ( 4570 PWs) bands (ev): -39.6109 -39.6109 -39.6109 -39.6109 -18.6252 -18.6252 -18.6249 -18.6249 -18.1374 -18.1374 -18.1369 -18.1369 -18.1046 -18.1046 -18.1044 -18.1044 0.1419 0.1419 0.1425 0.1425 1.6926 1.6926 1.6930 1.6930 5.2434 5.2434 5.2473 5.2473 8.0586 8.0586 8.0686 8.0686 8.9625 8.9625 8.9828 8.9828 9.8729 9.8729 9.9528 9.9528 10.7410 10.7410 10.8137 10.8137 12.0401 12.0428 k = 0.0364 0.1392 1.0120 ( 4558 PWs) bands (ev): -39.6109 -39.6109 -39.6109 -39.6109 -18.6250 -18.6250 -18.6248 -18.6248 -18.1373 -18.1373 -18.1369 -18.1369 -18.1041 -18.1041 -18.1039 -18.1039 0.1269 0.1269 0.1274 0.1274 1.6881 1.6881 1.6884 1.6884 5.2283 5.2283 5.2316 5.2316 8.1272 8.1272 8.1349 8.1349 9.0153 9.0153 9.0358 9.0358 9.9461 9.9461 10.0238 10.0238 10.7643 10.7643 10.8354 10.8354 11.9598 11.9627 k = 0.0304 0.1160 1.0120 ( 4554 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6249 -18.6249 -18.6246 -18.6246 -18.1373 -18.1373 -18.1369 -18.1369 -18.1037 -18.1037 -18.1036 -18.1036 0.1141 0.1141 0.1146 0.1146 1.6842 1.6842 1.6845 1.6845 5.2155 5.2155 5.2182 5.2182 8.1861 8.1861 8.1918 8.1918 9.0593 9.0593 9.0784 9.0784 10.0252 10.0252 10.0983 10.0983 10.7871 10.7871 10.8553 10.8553 11.8813 11.8822 k = 0.0243 0.0928 1.0120 ( 4556 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6247 -18.6247 -18.6245 -18.6245 -18.1372 -18.1372 -18.1369 -18.1369 -18.1033 -18.1033 -18.1033 -18.1033 0.1037 0.1037 0.1040 0.1040 1.6810 1.6810 1.6812 1.6812 5.2050 5.2050 5.2071 5.2071 8.2349 8.2349 8.2389 8.2389 9.0945 9.0945 9.1110 9.1110 10.1067 10.1067 10.1728 10.1728 10.8082 10.8082 10.8713 10.8713 11.8078 11.8082 k = 0.0182 0.0696 1.0120 ( 4548 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6246 -18.6246 -18.6245 -18.6245 -18.1372 -18.1372 -18.1370 -18.1370 -18.1031 -18.1031 -18.1030 -18.1030 0.0956 0.0956 0.0958 0.0958 1.6785 1.6785 1.6787 1.6787 5.1968 5.1968 5.1984 5.1984 8.2732 8.2732 8.2759 8.2759 9.1214 9.1214 9.1344 9.1344 10.1857 10.1857 10.2416 10.2416 10.8267 10.8267 10.8815 10.8815 11.7418 11.7433 k = 0.0121 0.0464 1.0120 ( 4544 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6245 -18.6245 -18.6244 -18.6244 -18.1371 -18.1371 -18.1370 -18.1370 -18.1029 -18.1029 -18.1028 -18.1028 0.0898 0.0898 0.0899 0.0899 1.6767 1.6767 1.6768 1.6768 5.1910 5.1910 5.1920 5.1920 8.3008 8.3008 8.3024 8.3024 9.1407 9.1407 9.1496 9.1496 10.2554 10.2554 10.2970 10.2970 10.8424 10.8424 10.8842 10.8842 11.6888 11.6893 k = 0.0061 0.0232 1.0120 ( 4528 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6244 -18.6244 -18.6244 -18.6244 -18.1371 -18.1371 -18.1370 -18.1370 -18.1027 -18.1027 -18.1027 -18.1027 0.0863 0.0863 0.0864 0.0864 1.6757 1.6757 1.6757 1.6757 5.1876 5.1876 5.1881 5.1881 8.3176 8.3176 8.3183 8.3183 9.1529 9.1529 9.1574 9.1574 10.3076 10.3076 10.3303 10.3303 10.8563 10.8563 10.8793 10.8793 11.6534 11.6538 k = 0.0000 0.0000 1.0120 ( 4532 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1370 -18.1370 -18.1370 -18.1370 -18.1027 -18.1027 -18.1027 -18.1027 0.0852 0.0852 0.0852 0.0852 1.6753 1.6753 1.6753 1.6753 5.1866 5.1866 5.1867 5.1867 8.3234 8.3234 8.3234 8.3234 9.1585 9.1585 9.1585 9.1585 10.3342 10.3342 10.3342 10.3342 10.8690 10.8690 10.8690 10.8690 11.6413 11.6413 k = 0.0000 0.0000 1.0120 ( 4532 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1370 -18.1370 -18.1370 -18.1370 -18.1027 -18.1027 -18.1027 -18.1027 0.0852 0.0852 0.0852 0.0852 1.6753 1.6753 1.6753 1.6753 5.1866 5.1866 5.1867 5.1867 8.3234 8.3234 8.3234 8.3234 9.1585 9.1585 9.1585 9.1585 10.3342 10.3342 10.3342 10.3342 10.8690 10.8690 10.8690 10.8690 11.6413 11.6413 k = 0.0000 0.0000 0.9879 ( 4532 PWs) bands (ev): -39.6112 -39.6112 -39.6109 -39.6109 -18.6248 -18.6248 -18.6239 -18.6239 -18.1376 -18.1376 -18.1364 -18.1364 -18.1030 -18.1030 -18.1024 -18.1024 -0.0265 -0.0265 0.1986 0.1986 1.5884 1.5884 1.7618 1.7618 5.1025 5.1025 5.2761 5.2761 8.3182 8.3182 8.3278 8.3278 9.1325 9.1325 9.1819 9.1819 10.2590 10.2590 10.4124 10.4124 10.8019 10.8019 10.9402 10.9402 11.5199 11.5199 k = 0.0000 0.0000 0.9638 ( 4544 PWs) bands (ev): -39.6113 -39.6113 -39.6108 -39.6108 -18.6252 -18.6252 -18.6234 -18.6234 -18.1382 -18.1382 -18.1357 -18.1357 -18.1033 -18.1033 -18.1021 -18.1021 -0.1363 -0.1363 0.3138 0.3138 1.5014 1.5014 1.8474 1.8474 5.0241 5.0241 5.3701 5.3701 8.3117 8.3117 8.3315 8.3315 9.1045 9.1045 9.2024 9.2024 10.1876 10.1876 10.4927 10.4927 10.7396 10.7396 11.0145 11.0145 11.4007 11.4007 k = 0.0000 0.0000 0.9397 ( 4548 PWs) bands (ev): -39.6114 -39.6114 -39.6107 -39.6107 -18.6256 -18.6256 -18.6228 -18.6228 -18.1386 -18.1386 -18.1349 -18.1349 -18.1036 -18.1036 -18.1018 -18.1018 -0.2440 -0.2440 0.4304 0.4304 1.4146 1.4146 1.9317 1.9317 4.9523 4.9523 5.4684 5.4684 8.3037 8.3037 8.3350 8.3350 9.0750 9.0750 9.2192 9.2192 10.1209 10.1209 10.5741 10.5741 10.6829 10.6829 11.0901 11.0901 11.2851 11.2851 k = 0.0000 0.0000 0.9156 ( 4552 PWs) bands (ev): -39.6116 -39.6116 -39.6107 -39.6107 -18.6259 -18.6259 -18.6222 -18.6222 -18.1390 -18.1390 -18.1340 -18.1340 -18.1039 -18.1039 -18.1014 -18.1014 -0.3496 -0.3496 0.5482 0.5482 1.3284 1.3284 2.0141 2.0141 4.8878 4.8878 5.5704 5.5704 8.2938 8.2938 8.3384 8.3384 9.0442 9.0442 9.2319 9.2319 10.0595 10.0595 10.6326 10.6326 10.6555 10.6555 11.1394 11.1394 11.2001 11.2001 k = 0.0000 0.0000 0.8915 ( 4562 PWs) bands (ev): -39.6117 -39.6117 -39.6106 -39.6106 -18.6262 -18.6262 -18.6215 -18.6215 -18.1392 -18.1392 -18.1330 -18.1330 -18.1042 -18.1042 -18.1012 -18.1012 -0.4530 -0.4530 0.6670 0.6670 1.2431 1.2431 2.0940 2.0940 4.8314 4.8314 5.6757 5.6757 8.2816 8.2816 8.3419 8.3419 9.0124 9.0124 9.2396 9.2396 10.0041 10.0041 10.5895 10.5895 10.7353 10.7353 11.0468 11.0468 11.2610 11.2610 k = 0.0000 0.0000 0.8674 ( 4558 PWs) bands (ev): -39.6119 -39.6119 -39.6105 -39.6105 -18.6264 -18.6264 -18.6208 -18.6208 -18.1394 -18.1394 -18.1320 -18.1320 -18.1044 -18.1044 -18.1008 -18.1008 -0.5542 -0.5542 0.7865 0.7865 1.1588 1.1588 2.1709 2.1709 4.7840 4.7840 5.7840 5.7840 8.2667 8.2667 8.3457 8.3457 8.9799 8.9799 9.2418 9.2418 9.9554 9.9554 10.5540 10.5540 10.8118 10.8118 10.9383 10.9383 11.3417 11.3417 k = 0.0000 0.0000 0.8433 ( 4546 PWs) bands (ev): -39.6121 -39.6121 -39.6105 -39.6105 -18.6265 -18.6265 -18.6201 -18.6201 -18.1396 -18.1396 -18.1309 -18.1309 -18.1046 -18.1046 -18.1005 -18.1005 -0.6530 -0.6530 0.9062 0.9062 1.0758 1.0758 2.2443 2.2443 4.7465 4.7465 5.8948 5.8948 8.2489 8.2489 8.3500 8.3500 8.9469 8.9469 9.2383 9.2383 9.9139 9.9139 10.5264 10.5264 10.8262 10.8262 10.8894 10.8894 11.4241 11.4241 k = 0.0000 0.0000 0.8192 ( 4546 PWs) bands (ev): -39.6122 -39.6122 -39.6104 -39.6104 -18.6267 -18.6267 -18.6193 -18.6193 -18.1396 -18.1396 -18.1297 -18.1297 -18.1048 -18.1048 -18.1002 -18.1002 -0.7495 -0.7495 0.9941 0.9941 1.0255 1.0255 2.3138 2.3138 4.7199 4.7199 6.0077 6.0077 8.2279 8.2279 8.3547 8.3547 8.9134 8.9134 9.2286 9.2286 9.8800 9.8800 10.5062 10.5062 10.7236 10.7236 10.9548 10.9548 11.5066 11.5066 k = 0.0000 0.0000 0.7951 ( 4558 PWs) bands (ev): -39.6124 -39.6124 -39.6104 -39.6104 -18.6268 -18.6268 -18.6185 -18.6185 -18.1397 -18.1397 -18.1285 -18.1285 -18.1050 -18.1050 -18.0999 -18.0999 -0.8435 -0.8435 0.9140 0.9140 1.1436 1.1436 2.3792 2.3792 4.7050 4.7050 6.1224 6.1224 8.2035 8.2035 8.3600 8.3600 8.8797 8.8797 9.2130 9.2130 9.8538 9.8538 10.4902 10.4902 10.6258 10.6258 11.0150 11.0150 11.5883 11.5883 k = 0.0000 0.0000 0.7711 ( 4566 PWs) bands (ev): -39.6126 -39.6126 -39.6104 -39.6104 -18.6268 -18.6268 -18.6177 -18.6177 -18.1397 -18.1397 -18.1273 -18.1273 -18.1051 -18.1051 -18.0996 -18.0996 -0.9351 -0.9351 0.8355 0.8355 1.2596 1.2596 2.4408 2.4408 4.7025 4.7025 6.2386 6.2386 8.1758 8.1758 8.3660 8.3660 8.8457 8.8457 9.1918 9.1918 9.8355 9.8355 10.4609 10.4609 10.5520 10.5520 11.0672 11.0672 11.6684 11.6684 k = 0.0000 0.0000 0.7470 ( 4572 PWs) bands (ev): -39.6128 -39.6128 -39.6103 -39.6103 -18.6269 -18.6269 -18.6169 -18.6169 -18.1397 -18.1397 -18.1260 -18.1260 -18.1051 -18.1051 -18.0993 -18.0993 -1.0241 -1.0241 0.7588 0.7588 1.3723 1.3723 2.4991 2.4991 4.7130 4.7130 6.3559 6.3559 8.1450 8.1450 8.3726 8.3726 8.8117 8.8117 9.1655 9.1655 9.8250 9.8250 10.3874 10.3874 10.5325 10.5325 11.1107 11.1107 11.7462 11.7462 k = 0.0000 0.0000 0.7229 ( 4572 PWs) bands (ev): -39.6130 -39.6130 -39.6103 -39.6103 -18.6269 -18.6269 -18.6160 -18.6160 -18.1396 -18.1396 -18.1247 -18.1247 -18.1051 -18.1051 -18.0990 -18.0990 -1.1107 -1.1107 0.6840 0.6840 1.4799 1.4799 2.5557 2.5557 4.7366 4.7366 6.4739 6.4739 8.1112 8.1112 8.3799 8.3799 8.7777 8.7777 9.1351 9.1351 9.8220 9.8220 10.2957 10.2957 10.5412 10.5412 11.1457 11.1457 11.8205 11.8205 k = 0.0000 0.0000 0.6988 ( 4566 PWs) bands (ev): -39.6132 -39.6132 -39.6103 -39.6103 -18.6268 -18.6268 -18.6151 -18.6151 -18.1395 -18.1395 -18.1233 -18.1233 -18.1051 -18.1051 -18.0987 -18.0987 -1.1946 -1.1946 0.6112 0.6112 1.5804 1.5804 2.6125 2.6125 4.7733 4.7733 6.5921 6.5921 8.0747 8.0747 8.3879 8.3879 8.7438 8.7438 9.1013 9.1013 9.8260 9.8260 10.2020 10.2020 10.5611 10.5611 11.1727 11.1727 11.8901 11.8901 k = 0.0000 0.0000 0.6747 ( 4572 PWs) bands (ev): -39.6134 -39.6134 -39.6103 -39.6103 -18.6267 -18.6267 -18.6142 -18.6142 -18.1393 -18.1393 -18.1220 -18.1220 -18.1050 -18.1050 -18.0984 -18.0984 -1.2760 -1.2760 0.5404 0.5404 1.6714 1.6714 2.6723 2.6723 4.8225 4.8225 6.7102 6.7102 8.0359 8.0359 8.3965 8.3965 8.7099 8.7099 9.0651 9.0651 9.8363 9.8363 10.1098 10.1098 10.5885 10.5885 11.1929 11.1929 11.9213 11.9213 k = 0.0000 0.0000 0.6506 ( 4572 PWs) bands (ev): -39.6136 -39.6136 -39.6103 -39.6103 -18.6266 -18.6266 -18.6132 -18.6132 -18.1392 -18.1392 -18.1206 -18.1206 -18.1047 -18.1047 -18.0980 -18.0980 -1.3547 -1.3547 0.4717 0.4717 1.7504 1.7504 2.7380 2.7380 4.8838 4.8838 6.8276 6.8276 7.9953 7.9953 8.4058 8.4058 8.6762 8.6762 9.0272 9.0272 9.8506 9.8506 10.0216 10.0216 10.6219 10.6219 11.2076 11.2076 11.8590 11.8590 k = 0.0000 0.0000 0.6265 ( 4572 PWs) bands (ev): -39.6138 -39.6138 -39.6104 -39.6104 -18.6265 -18.6265 -18.6123 -18.6123 -18.1391 -18.1391 -18.1193 -18.1193 -18.1045 -18.1045 -18.0976 -18.0976 -1.4308 -1.4308 0.4052 0.4052 1.8153 1.8153 2.8124 2.8124 4.9560 4.9560 6.9438 6.9438 7.9533 7.9533 8.4156 8.4156 8.6426 8.6426 8.9885 8.9885 9.8579 9.8579 9.9485 9.9485 10.6602 10.6602 11.2180 11.2180 11.7999 11.7999 k = 0.0000 0.0000 0.6024 ( 4568 PWs) bands (ev): -39.6140 -39.6140 -39.6104 -39.6104 -18.6264 -18.6264 -18.6114 -18.6114 -18.1389 -18.1389 -18.1180 -18.1180 -18.1041 -18.1041 -18.0972 -18.0972 -1.5042 -1.5042 0.3409 0.3409 1.8651 1.8651 2.8975 2.8975 5.0383 5.0383 7.0581 7.0581 7.9103 7.9103 8.4259 8.4259 8.6092 8.6092 8.9496 8.9496 9.8133 9.8133 9.9349 9.9349 10.7029 10.7029 11.2254 11.2254 11.7450 11.7450 k = 0.0000 0.0000 0.5783 ( 4580 PWs) bands (ev): -39.6142 -39.6142 -39.6104 -39.6104 -18.6262 -18.6262 -18.6105 -18.6105 -18.1388 -18.1388 -18.1167 -18.1167 -18.1037 -18.1037 -18.0968 -18.0968 -1.5748 -1.5748 0.2788 0.2788 1.8999 1.8999 2.9940 2.9940 5.1296 5.1296 7.1699 7.1699 7.8668 7.8668 8.4366 8.4366 8.5758 8.5758 8.9113 8.9113 9.7350 9.7350 9.9624 9.9624 10.7492 10.7492 11.2308 11.2308 11.6950 11.6950 k = 0.0000 0.0000 0.5542 ( 4584 PWs) bands (ev): -39.6145 -39.6145 -39.6104 -39.6104 -18.6261 -18.6261 -18.6096 -18.6096 -18.1387 -18.1387 -18.1155 -18.1155 -18.1032 -18.1032 -18.0963 -18.0963 -1.6428 -1.6428 0.2191 0.2191 1.9210 1.9210 3.1013 3.1013 5.2288 5.2288 7.2785 7.2785 7.8233 7.8233 8.4477 8.4477 8.5427 8.5427 8.8742 8.8742 9.6526 9.6526 10.0010 10.0010 10.7987 10.7987 11.2350 11.2350 11.6507 11.6507 k = 0.0000 0.0000 0.5301 ( 4584 PWs) bands (ev): -39.6147 -39.6147 -39.6105 -39.6105 -18.6259 -18.6259 -18.6086 -18.6086 -18.1386 -18.1386 -18.1144 -18.1144 -18.1027 -18.1027 -18.0957 -18.0957 -1.7080 -1.7080 0.1617 0.1617 1.9305 1.9305 3.2182 3.2182 5.3348 5.3348 7.3827 7.3827 7.7803 7.7803 8.4590 8.4590 8.5097 8.5097 8.8390 8.8390 9.5706 9.5706 10.0460 10.0460 10.8509 10.8509 11.2390 11.2390 11.6128 11.6128 k = 0.0000 0.0000 0.5060 ( 4590 PWs) bands (ev): -39.6149 -39.6149 -39.6105 -39.6105 -18.6257 -18.6257 -18.6078 -18.6078 -18.1386 -18.1386 -18.1133 -18.1133 -18.1021 -18.1021 -18.0951 -18.0951 -1.7705 -1.7705 0.1066 0.1066 1.9305 1.9305 3.3431 3.3431 5.4467 5.4467 7.4811 7.4811 7.7386 7.7386 8.4683 8.4683 8.4788 8.4788 8.8061 8.8061 9.4900 9.4900 10.0960 10.0960 10.9052 10.9052 11.2431 11.2431 11.5820 11.5820 k = 0.0000 0.0000 0.4819 ( 4590 PWs) bands (ev): -39.6151 -39.6151 -39.6106 -39.6106 -18.6256 -18.6256 -18.6069 -18.6069 -18.1385 -18.1385 -18.1123 -18.1123 -18.1015 -18.1015 -18.0943 -18.0943 -1.8301 -1.8301 0.0540 0.0540 1.9233 1.9233 3.4744 3.4744 5.5636 5.5636 7.5702 7.5702 7.7013 7.7013 8.4424 8.4424 8.4833 8.4833 8.7764 8.7764 9.4112 9.4112 10.1504 10.1504 10.9612 10.9612 11.2480 11.2480 11.5589 11.5589 k = 0.0000 0.0000 0.4578 ( 4582 PWs) bands (ev): -39.6153 -39.6153 -39.6106 -39.6106 -18.6254 -18.6254 -18.6060 -18.6060 -18.1385 -18.1385 -18.1113 -18.1113 -18.1009 -18.1009 -18.0935 -18.0935 -1.8870 -1.8870 0.0038 0.0038 1.9105 1.9105 3.6108 3.6108 5.6845 5.6845 7.6223 7.6223 7.6951 7.6951 8.4091 8.4091 8.4949 8.4949 8.7504 8.7504 9.3343 9.3343 10.2090 10.2090 11.0186 11.0186 11.2541 11.2541 11.5445 11.5445 k = 0.0000 0.0000 0.4337 ( 4578 PWs) bands (ev): -39.6155 -39.6155 -39.6107 -39.6107 -18.6252 -18.6252 -18.6051 -18.6051 -18.1385 -18.1385 -18.1104 -18.1104 -18.1003 -18.1003 -18.0925 -18.0925 -1.9411 -1.9411 -0.0439 -0.0439 1.8937 1.8937 3.7510 3.7510 5.8088 5.8088 7.6005 7.6005 7.7560 7.7560 8.3753 8.3753 8.5065 8.5065 8.7288 8.7288 9.2596 9.2596 10.2713 10.2713 11.0765 11.0765 11.2618 11.2618 11.5117 11.5117 k = 0.0000 0.0000 0.4096 ( 4572 PWs) bands (ev): -39.6156 -39.6156 -39.6107 -39.6107 -18.6249 -18.6249 -18.6043 -18.6043 -18.1385 -18.1385 -18.1096 -18.1096 -18.0997 -18.0997 -18.0915 -18.0915 -1.9923 -1.9923 -0.0892 -0.0892 1.8741 1.8741 3.8941 3.8941 5.9355 5.9355 7.5649 7.5649 7.8231 7.8231 8.3407 8.3407 8.5179 8.5179 8.7123 8.7123 9.1873 9.1873 10.3371 10.3371 11.1345 11.1345 11.2712 11.2712 11.4444 11.4444 k = 0.0000 0.0000 0.3855 ( 4572 PWs) bands (ev): -39.6158 -39.6158 -39.6108 -39.6108 -18.6248 -18.6248 -18.6035 -18.6035 -18.1385 -18.1385 -18.1088 -18.1088 -18.0991 -18.0991 -18.0905 -18.0905 -2.0407 -2.0407 -0.1319 -0.1319 1.8526 1.8526 4.0392 4.0392 6.0639 6.0639 7.5288 7.5288 7.8824 7.8824 8.3051 8.3051 8.5292 8.5292 8.7015 8.7015 9.1178 9.1178 10.4061 10.4061 11.1918 11.1918 11.2826 11.2826 11.3757 11.3757 k = 0.0000 0.0000 0.3614 ( 4572 PWs) bands (ev): -39.6160 -39.6160 -39.6108 -39.6108 -18.6246 -18.6246 -18.6028 -18.6028 -18.1386 -18.1386 -18.1082 -18.1082 -18.0986 -18.0986 -18.0893 -18.0893 -2.0862 -2.0862 -0.1722 -0.1722 1.8302 1.8302 4.1855 4.1855 6.1933 6.1933 7.4936 7.4936 7.9320 7.9320 8.2682 8.2682 8.5401 8.5401 8.6964 8.6964 9.0515 9.0515 10.4781 10.4781 11.2472 11.2472 11.2951 11.2951 11.3073 11.3073 k = 0.0000 0.0000 0.3373 ( 4568 PWs) bands (ev): -39.6162 -39.6162 -39.6109 -39.6109 -18.6244 -18.6244 -18.6021 -18.6021 -18.1387 -18.1387 -18.1075 -18.1075 -18.0981 -18.0981 -18.0882 -18.0882 -2.1288 -2.1288 -0.2099 -0.2099 1.8072 1.8072 4.3323 4.3323 6.3228 6.3228 7.4600 7.4600 7.9712 7.9712 8.2294 8.2294 8.5508 8.5508 8.6971 8.6971 8.9889 8.9889 10.5529 10.5529 11.2321 11.2321 11.3025 11.3025 11.3138 11.3138 k = 0.0000 0.0000 0.3132 ( 4566 PWs) bands (ev): -39.6163 -39.6163 -39.6109 -39.6109 -18.6242 -18.6242 -18.6014 -18.6014 -18.1388 -18.1388 -18.1070 -18.1070 -18.0976 -18.0976 -18.0870 -18.0870 -2.1686 -2.1686 -0.2451 -0.2451 1.7844 1.7844 4.4788 4.4788 6.4515 6.4515 7.4282 7.4282 8.0004 8.0004 8.1884 8.1884 8.5610 8.5610 8.7027 8.7027 8.9306 8.9306 10.6303 10.6303 11.1593 11.1593 11.3308 11.3308 11.3568 11.3568 k = 0.0000 0.0000 0.2891 ( 4563 PWs) bands (ev): -39.6165 -39.6165 -39.6110 -39.6110 -18.6240 -18.6240 -18.6008 -18.6008 -18.1388 -18.1388 -18.1065 -18.1065 -18.0971 -18.0971 -18.0859 -18.0859 -2.2054 -2.2054 -0.2777 -0.2777 1.7621 1.7621 4.6244 4.6244 6.5784 6.5784 7.3983 7.3983 8.0207 8.0207 8.1447 8.1447 8.5710 8.5710 8.7120 8.7120 8.8774 8.8774 10.7099 10.7099 11.0848 11.0848 11.3523 11.3523 11.4085 11.4085 k = 0.0000 0.0000 0.2650 ( 4565 PWs) bands (ev): -39.6166 -39.6166 -39.6110 -39.6110 -18.6239 -18.6239 -18.6002 -18.6002 -18.1390 -18.1390 -18.1061 -18.1061 -18.0966 -18.0966 -18.0848 -18.0848 -2.2394 -2.2394 -0.3077 -0.3077 1.7407 1.7407 4.7681 4.7681 6.7027 6.7027 7.3705 7.3705 8.0332 8.0332 8.0981 8.0981 8.5804 8.5804 8.7238 8.7238 8.8302 8.8302 10.7913 10.7913 11.0093 11.0093 11.3763 11.3763 11.4598 11.4598 k = 0.0000 0.0000 0.2410 ( 4557 PWs) bands (ev): -39.6168 -39.6168 -39.6110 -39.6110 -18.6237 -18.6237 -18.5996 -18.5996 -18.1391 -18.1391 -18.1057 -18.1057 -18.0962 -18.0962 -18.0837 -18.0837 -2.2704 -2.2704 -0.3352 -0.3352 1.7203 1.7203 4.9091 4.9091 6.8230 6.8230 7.3447 7.3447 8.0360 8.0360 8.0520 8.0520 8.5893 8.5893 8.7359 8.7359 8.7905 8.7905 10.8717 10.8717 10.9359 10.9359 11.4031 11.4031 11.5110 11.5110 k = 0.0000 0.0000 0.2169 ( 4565 PWs) bands (ev): -39.6169 -39.6169 -39.6111 -39.6111 -18.6236 -18.6236 -18.5991 -18.5991 -18.1392 -18.1392 -18.1054 -18.1054 -18.0957 -18.0957 -18.0827 -18.0827 -2.2985 -2.2985 -0.3601 -0.3601 1.7014 1.7014 5.0464 5.0464 6.9381 6.9381 7.3211 7.3211 7.9922 7.9922 8.0449 8.0449 8.5975 8.5975 8.7397 8.7397 8.7661 8.7661 10.8515 10.8515 10.9642 10.9642 11.4326 11.4326 11.5618 11.5618 k = 0.0000 0.0000 0.1928 ( 4551 PWs) bands (ev): -39.6170 -39.6170 -39.6111 -39.6111 -18.6234 -18.6234 -18.5987 -18.5987 -18.1392 -18.1392 -18.1051 -18.1051 -18.0952 -18.0952 -18.0818 -18.0818 -2.3237 -2.3237 -0.3823 -0.3823 1.6840 1.6840 5.1787 5.1787 7.0466 7.0466 7.2997 7.2997 7.9363 7.9363 8.0440 8.0440 8.6050 8.6050 8.7212 8.7212 8.7707 8.7707 10.7767 10.7767 11.0490 11.0490 11.4649 11.4649 11.6119 11.6119 k = 0.0000 0.0000 0.1687 ( 4557 PWs) bands (ev): -39.6171 -39.6171 -39.6112 -39.6112 -18.6233 -18.6233 -18.5983 -18.5983 -18.1393 -18.1393 -18.1048 -18.1048 -18.0949 -18.0949 -18.0810 -18.0810 -2.3459 -2.3459 -0.4020 -0.4020 1.6683 1.6683 5.3047 5.3047 7.1470 7.1470 7.2806 7.2806 7.8782 7.8782 8.0414 8.0414 8.6117 8.6117 8.7025 8.7025 8.7815 8.7815 10.7025 10.7025 11.1354 11.1354 11.4999 11.4999 11.6605 11.6605 k = 0.0000 0.0000 0.1446 ( 4563 PWs) bands (ev): -39.6172 -39.6172 -39.6112 -39.6112 -18.6232 -18.6232 -18.5979 -18.5979 -18.1394 -18.1394 -18.1046 -18.1046 -18.0945 -18.0945 -18.0803 -18.0803 -2.3652 -2.3652 -0.4191 -0.4191 1.6545 1.6545 5.4224 5.4224 7.2372 7.2372 7.2644 7.2644 7.8196 7.8196 8.0380 8.0380 8.6175 8.6175 8.6895 8.6895 8.7919 8.7919 10.6314 10.6314 11.2217 11.2217 11.5376 11.5376 11.7067 11.7067 k = 0.0000 0.0000 0.1205 ( 4571 PWs) bands (ev): -39.6172 -39.6172 -39.6112 -39.6112 -18.6232 -18.6232 -18.5976 -18.5976 -18.1395 -18.1395 -18.1045 -18.1045 -18.0942 -18.0942 -18.0797 -18.0797 -2.3815 -2.3815 -0.4335 -0.4335 1.6427 1.6427 5.5298 5.5298 7.2485 7.2485 7.3183 7.3183 7.7623 7.7623 8.0341 8.0341 8.6225 8.6225 8.6823 8.6823 8.8008 8.8008 10.5653 10.5653 11.3067 11.3067 11.5780 11.5780 11.7493 11.7493 k = 0.0000 0.0000 0.0964 ( 4581 PWs) bands (ev): -39.6173 -39.6173 -39.6112 -39.6112 -18.6231 -18.6231 -18.5974 -18.5974 -18.1396 -18.1396 -18.1044 -18.1044 -18.0940 -18.0940 -18.0792 -18.0792 -2.3948 -2.3948 -0.4453 -0.4453 1.6328 1.6328 5.6241 5.6241 7.2363 7.2363 7.3857 7.3857 7.7086 7.7086 8.0303 8.0303 8.6267 8.6267 8.6799 8.6799 8.8081 8.8081 10.5065 10.5065 11.3884 11.3884 11.6209 11.6209 11.7870 11.7870 k = 0.0000 0.0000 0.0723 ( 4577 PWs) bands (ev): -39.6173 -39.6173 -39.6112 -39.6112 -18.6231 -18.6231 -18.5972 -18.5972 -18.1397 -18.1397 -18.1043 -18.1043 -18.0938 -18.0938 -18.0788 -18.0788 -2.4052 -2.4052 -0.4545 -0.4545 1.6251 1.6251 5.7026 5.7026 7.2264 7.2264 7.4402 7.4402 7.6613 7.6613 8.0270 8.0270 8.6301 8.6301 8.6808 8.6808 8.8139 8.8139 10.4572 10.4572 11.4639 11.4639 11.6664 11.6664 11.8185 11.8185 k = 0.0000 0.0000 0.0482 ( 4573 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6230 -18.6230 -18.5971 -18.5971 -18.1397 -18.1397 -18.1042 -18.1042 -18.0936 -18.0936 -18.0785 -18.0785 -2.4126 -2.4126 -0.4611 -0.4611 1.6196 1.6196 5.7619 5.7619 7.2191 7.2191 7.4814 7.4814 7.6228 7.6228 8.0245 8.0245 8.6325 8.6325 8.6833 8.6833 8.8179 8.8179 10.4199 10.4199 11.5282 11.5282 11.7141 11.7141 11.8421 11.8421 k = 0.0000 0.0000 0.0241 ( 4573 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6230 -18.6230 -18.5970 -18.5970 -18.1397 -18.1397 -18.1041 -18.1041 -18.0935 -18.0935 -18.0783 -18.0783 -2.4171 -2.4171 -0.4650 -0.4650 1.6163 1.6163 5.7990 5.7990 7.2145 7.2145 7.5090 7.5090 7.5956 7.5956 8.0229 8.0229 8.6340 8.6340 8.6856 8.6856 8.8203 8.8203 10.3965 10.3965 11.5733 11.5733 11.7639 11.7639 11.8551 11.8551 k = 0.0000 0.0000 0.0000 ( 4567 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6230 -18.6230 -18.5969 -18.5969 -18.1397 -18.1397 -18.1041 -18.1041 -18.0935 -18.0935 -18.0782 -18.0782 -2.4186 -2.4186 -0.4664 -0.4664 1.6152 1.6152 5.8116 5.8116 7.2129 7.2129 7.5199 7.5199 7.5847 7.5847 8.0224 8.0224 8.6345 8.6345 8.6865 8.6865 8.8212 8.8212 10.3886 10.3886 11.5900 11.5900 11.8110 11.8110 11.8207 11.8207 k = 0.0000 0.0000 0.0000 ( 4567 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6230 -18.6230 -18.5969 -18.5969 -18.1397 -18.1397 -18.1041 -18.1041 -18.0935 -18.0935 -18.0782 -18.0782 -2.4186 -2.4186 -0.4664 -0.4664 1.6152 1.6152 5.8116 5.8116 7.2129 7.2129 7.5199 7.5199 7.5847 7.5847 8.0224 8.0224 8.6345 8.6345 8.6865 8.6865 8.8212 8.8212 10.3886 10.3886 11.5900 11.5900 11.8110 11.8110 11.8207 11.8207 k =-0.0227 0.0059-0.0000 ( 4569 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6230 -18.6230 -18.5970 -18.5970 -18.1397 -18.1397 -18.1042 -18.1042 -18.0935 -18.0935 -18.0782 -18.0782 -2.4176 -2.4176 -0.4707 -0.4707 1.6212 1.6212 5.8117 5.8117 7.2130 7.2130 7.4833 7.4833 7.5849 7.5849 8.0560 8.0560 8.6346 8.6346 8.6864 8.6864 8.8217 8.8217 10.3863 10.3863 11.5897 11.5897 11.8113 11.8113 11.8184 11.8184 k =-0.0455 0.0119-0.0000 ( 4570 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6229 -18.6229 -18.5970 -18.5970 -18.1396 -18.1396 -18.1042 -18.1042 -18.0935 -18.0935 -18.0782 -18.0782 -2.4145 -2.4145 -0.4836 -0.4836 1.6392 1.6392 5.8118 5.8118 7.2132 7.2132 7.3936 7.3936 7.5854 7.5854 8.1366 8.1366 8.6348 8.6348 8.6862 8.6862 8.8237 8.8237 10.3796 10.3796 11.5890 11.5890 11.8112 11.8112 11.8127 11.8127 k =-0.0682 0.0178-0.0000 ( 4578 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6229 -18.6229 -18.5971 -18.5971 -18.1396 -18.1396 -18.1043 -18.1043 -18.0935 -18.0935 -18.0783 -18.0783 -2.4095 -2.4095 -0.5046 -0.5046 1.6685 1.6685 5.8121 5.8121 7.2134 7.2134 7.2783 7.2783 7.5861 7.5861 8.2364 8.2364 8.6352 8.6352 8.6859 8.6859 8.8278 8.8278 10.3689 10.3689 11.5877 11.5877 11.8009 11.8009 11.8136 11.8136 k =-0.0909 0.0238-0.0000 ( 4586 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6228 -18.6228 -18.5972 -18.5972 -18.1395 -18.1395 -18.1044 -18.1044 -18.0935 -18.0935 -18.0784 -18.0784 -2.4025 -2.4025 -0.5327 -0.5327 1.7083 1.7083 5.8124 5.8124 7.1497 7.1497 7.2150 7.2150 7.5870 7.5870 8.3400 8.3400 8.6358 8.6358 8.6856 8.6856 8.8355 8.8355 10.3547 10.3547 11.5861 11.5861 11.7864 11.7864 11.8153 11.8153 k =-0.1136 0.0297-0.0000 ( 4580 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6227 -18.6227 -18.5972 -18.5972 -18.1393 -18.1393 -18.1045 -18.1045 -18.0934 -18.0934 -18.0785 -18.0785 -2.3936 -2.3936 -0.5671 -0.5671 1.7576 1.7576 5.8128 5.8128 7.0164 7.0164 7.2155 7.2155 7.5882 7.5882 8.4383 8.4383 8.6365 8.6365 8.6854 8.6854 8.8495 8.8495 10.3379 10.3379 11.5840 11.5840 11.7688 11.7688 11.8173 11.8173 k =-0.1364 0.0357-0.0000 ( 4592 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6226 -18.6226 -18.5974 -18.5974 -18.1391 -18.1391 -18.1047 -18.1047 -18.0934 -18.0934 -18.0786 -18.0786 -2.3828 -2.3828 -0.6068 -0.6068 1.8152 1.8152 5.8133 5.8133 6.8801 6.8801 7.2164 7.2164 7.5896 7.5896 8.5234 8.5234 8.6375 8.6375 8.6855 8.6855 8.8743 8.8743 10.3195 10.3195 11.5816 11.5816 11.7485 11.7485 11.8175 11.8176 k =-0.1591 0.0416-0.0000 ( 4592 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6225 -18.6225 -18.5975 -18.5975 -18.1389 -18.1389 -18.1048 -18.1048 -18.0933 -18.0933 -18.0787 -18.0787 -2.3703 -2.3703 -0.6505 -0.6505 1.8799 1.8799 5.8138 5.8138 6.7426 6.7426 7.2175 7.2175 7.5912 7.5912 8.5875 8.5875 8.6391 8.6391 8.6865 8.6865 8.9152 8.9152 10.3007 10.3007 11.5790 11.5790 11.7263 11.7263 11.8055 11.8056 k =-0.1818 0.0476-0.0000 ( 4588 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6223 -18.6223 -18.5976 -18.5976 -18.1387 -18.1387 -18.1050 -18.1050 -18.0933 -18.0933 -18.0788 -18.0788 -2.3561 -2.3561 -0.6974 -0.6974 1.9505 1.9505 5.8143 5.8143 6.6053 6.6053 7.2187 7.2187 7.5930 7.5930 8.6251 8.6251 8.6431 8.6431 8.6891 8.6891 8.9733 8.9733 10.2829 10.2829 11.5762 11.5762 11.7028 11.7028 11.7893 11.7894 k =-0.2045 0.0535-0.0000 ( 4584 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6222 -18.6222 -18.5978 -18.5978 -18.1384 -18.1384 -18.1052 -18.1052 -18.0932 -18.0932 -18.0789 -18.0789 -2.3404 -2.3404 -0.7464 -0.7464 2.0259 2.0259 5.8147 5.8147 6.4693 6.4693 7.2200 7.2200 7.5948 7.5948 8.6359 8.6359 8.6536 8.6536 8.6939 8.6939 9.0431 9.0431 10.2677 10.2677 11.5733 11.5733 11.6786 11.6786 11.7717 11.7717 k =-0.2273 0.0595-0.0000 ( 4578 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6220 -18.6220 -18.5979 -18.5979 -18.1382 -18.1382 -18.1054 -18.1054 -18.0932 -18.0932 -18.0791 -18.0791 -2.3234 -2.3234 -0.7966 -0.7966 2.1048 2.1048 5.8149 5.8149 6.3355 6.3355 7.2214 7.2214 7.5968 7.5968 8.6383 8.6383 8.6602 8.6602 8.6994 8.6994 9.1166 9.1166 10.2567 10.2567 11.5704 11.5704 11.6543 11.6543 11.7530 11.7530 k =-0.2500 0.0654-0.0000 ( 4566 PWs) bands (ev): -39.6174 -39.6174 -39.6113 -39.6113 -18.6218 -18.6218 -18.5980 -18.5980 -18.1379 -18.1379 -18.1056 -18.1056 -18.0931 -18.0931 -18.0792 -18.0792 -2.3052 -2.3052 -0.8471 -0.8471 2.1861 2.1861 5.8147 5.8147 6.2051 6.2051 7.2228 7.2228 7.5988 7.5988 8.6398 8.6398 8.6625 8.6625 8.7040 8.7040 9.1871 9.1871 10.2516 10.2516 11.5675 11.5675 11.6303 11.6303 11.7340 11.7340 k =-0.2727 0.0713-0.0000 ( 4570 PWs) bands (ev): -39.6173 -39.6173 -39.6113 -39.6113 -18.6216 -18.6216 -18.5982 -18.5982 -18.1376 -18.1376 -18.1058 -18.1058 -18.0930 -18.0930 -18.0793 -18.0793 -2.2861 -2.2861 -0.8972 -0.8972 2.2687 2.2687 5.8136 5.8136 6.0795 6.0795 7.2242 7.2242 7.6008 7.6008 8.6409 8.6409 8.6629 8.6629 8.7071 8.7071 9.2507 9.2507 10.2538 10.2538 11.5646 11.5646 11.6070 11.6070 11.7149 11.7149 k =-0.2955 0.0773-0.0000 ( 4564 PWs) bands (ev): -39.6173 -39.6173 -39.6113 -39.6113 -18.6214 -18.6214 -18.5984 -18.5984 -18.1373 -18.1373 -18.1060 -18.1060 -18.0930 -18.0930 -18.0795 -18.0795 -2.2664 -2.2664 -0.9461 -0.9461 2.3511 2.3511 5.8092 5.8092 5.9619 5.9619 7.2256 7.2256 7.6028 7.6028 8.6419 8.6419 8.6624 8.6624 8.7094 8.7094 9.3045 9.3045 10.2645 10.2645 11.5618 11.5618 11.5850 11.5850 11.6963 11.6963 k =-0.3182 0.0832-0.0000 ( 4560 PWs) bands (ev): -39.6173 -39.6173 -39.6113 -39.6113 -18.6212 -18.6212 -18.5985 -18.5985 -18.1370 -18.1370 -18.1062 -18.1062 -18.0929 -18.0929 -18.0796 -18.0796 -2.2465 -2.2465 -0.9930 -0.9930 2.4322 2.4322 5.7870 5.7870 5.8682 5.8682 7.2269 7.2269 7.6047 7.6047 8.6429 8.6429 8.6615 8.6615 8.7111 8.7111 9.3476 9.3476 10.2836 10.2836 11.5590 11.5590 11.5647 11.5647 11.6786 11.6786 k =-0.3409 0.0892-0.0000 ( 4568 PWs) bands (ev): -39.6173 -39.6173 -39.6113 -39.6113 -18.6211 -18.6211 -18.5987 -18.5987 -18.1367 -18.1367 -18.1064 -18.1064 -18.0929 -18.0929 -18.0797 -18.0797 -2.2268 -2.2268 -1.0372 -1.0372 2.5103 2.5103 5.7101 5.7101 5.8366 5.8366 7.2281 7.2281 7.6065 7.6065 8.6437 8.6437 8.6605 8.6605 8.7126 8.7126 9.3799 9.3799 10.3103 10.3103 11.5454 11.5454 11.5571 11.5571 11.6621 11.6621 k =-0.3636 0.0951-0.0000 ( 4562 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6209 -18.6209 -18.5988 -18.5988 -18.1365 -18.1365 -18.1066 -18.1066 -18.0928 -18.0928 -18.0799 -18.0799 -2.2078 -2.2078 -1.0779 -1.0779 2.5840 2.5840 5.6162 5.6162 5.8307 5.8307 7.2293 7.2293 7.6081 7.6081 8.6445 8.6445 8.6594 8.6594 8.7139 8.7139 9.4026 9.4026 10.3424 10.3424 11.5287 11.5287 11.5549 11.5549 11.6472 11.6472 k =-0.3864 0.1011-0.0000 ( 4558 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6207 -18.6207 -18.5990 -18.5990 -18.1363 -18.1363 -18.1068 -18.1068 -18.0928 -18.0928 -18.0800 -18.0800 -2.1900 -2.1900 -1.1143 -1.1143 2.6513 2.6513 5.5287 5.5287 5.8290 5.8290 7.2303 7.2303 7.6096 7.6096 8.6452 8.6452 8.6584 8.6584 8.7151 8.7151 9.4174 9.4174 10.3772 10.3772 11.5143 11.5143 11.5531 11.5531 11.6341 11.6341 k =-0.4091 0.1070-0.0000 ( 4556 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6206 -18.6206 -18.5990 -18.5990 -18.1361 -18.1361 -18.1069 -18.1069 -18.0928 -18.0928 -18.0800 -18.0800 -2.1742 -2.1742 -1.1457 -1.1457 2.7104 2.7104 5.4524 5.4524 5.8284 5.8284 7.2311 7.2311 7.6108 7.6108 8.6458 8.6458 8.6575 8.6575 8.7162 8.7162 9.4264 9.4264 10.4115 10.4115 11.5022 11.5022 11.5515 11.5515 11.6231 11.6231 k =-0.4318 0.1130-0.0000 ( 4552 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6205 -18.6205 -18.5991 -18.5991 -18.1359 -18.1359 -18.1070 -18.1070 -18.0927 -18.0927 -18.0801 -18.0801 -2.1610 -2.1610 -1.1711 -1.1711 2.7592 2.7592 5.3901 5.3901 5.8282 5.8282 7.2318 7.2318 7.6118 7.6118 8.6462 8.6462 8.6568 8.6568 8.7171 8.7171 9.4314 9.4314 10.4421 10.4421 11.4927 11.4927 11.5503 11.5503 11.6144 11.6144 k =-0.4545 0.1189-0.0000 ( 4556 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6205 -18.6205 -18.5992 -18.5992 -18.1358 -18.1358 -18.1071 -18.1071 -18.0927 -18.0927 -18.0802 -18.0802 -2.1509 -2.1509 -1.1899 -1.1899 2.7957 2.7957 5.3438 5.3438 5.8281 5.8281 7.2323 7.2323 7.6125 7.6125 8.6466 8.6466 8.6562 8.6562 8.7179 8.7179 9.4338 9.4338 10.4662 10.4662 11.4858 11.4858 11.5494 11.5494 11.6080 11.6080 k =-0.4773 0.1249-0.0000 ( 4546 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6204 -18.6204 -18.5992 -18.5992 -18.1357 -18.1357 -18.1072 -18.1072 -18.0927 -18.0927 -18.0802 -18.0802 -2.1447 -2.1447 -1.2015 -1.2015 2.8185 2.8185 5.3152 5.3152 5.8281 5.8281 7.2326 7.2326 7.6130 7.6130 8.6468 8.6468 8.6559 8.6559 8.7184 8.7184 9.4348 9.4348 10.4817 10.4817 11.4817 11.4817 11.5489 11.5489 11.6042 11.6042 k =-0.5000 0.1308-0.0000 ( 4548 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6204 -18.6204 -18.5992 -18.5992 -18.1357 -18.1357 -18.1072 -18.1072 -18.0927 -18.0927 -18.0802 -18.0802 -2.1425 -2.1425 -1.2054 -1.2054 2.8261 2.8261 5.3056 5.3056 5.8281 5.8281 7.2327 7.2327 7.6131 7.6131 8.6469 8.6469 8.6558 8.6558 8.7185 8.7185 9.4351 9.4351 10.4870 10.4870 11.4803 11.4803 11.5487 11.5487 11.6029 11.6029 k =-0.5000 0.1308-0.0000 ( 4548 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6204 -18.6204 -18.5992 -18.5992 -18.1357 -18.1357 -18.1072 -18.1072 -18.0927 -18.0927 -18.0802 -18.0802 -2.1425 -2.1425 -1.2054 -1.2054 2.8261 2.8261 5.3056 5.3056 5.8281 5.8281 7.2327 7.2327 7.6131 7.6131 8.6469 8.6469 8.6558 8.6558 8.7185 8.7185 9.4351 9.4351 10.4870 10.4870 11.4803 11.4803 11.5487 11.5487 11.6029 11.6029 k =-0.4939 0.1542-0.0000 ( 4550 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6204 -18.6204 -18.5993 -18.5993 -18.1357 -18.1357 -18.1073 -18.1073 -18.0927 -18.0927 -18.0802 -18.0802 -2.1411 -2.1411 -1.2043 -1.2043 2.8273 2.8273 5.3059 5.3059 5.8092 5.8092 7.2481 7.2481 7.6148 7.6148 8.6364 8.6364 8.6547 8.6547 8.7169 8.7169 9.4426 9.4426 10.4927 10.4927 11.4712 11.4712 11.5189 11.5189 11.6363 11.6363 k =-0.4877 0.1777-0.0000 ( 4544 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6204 -18.6204 -18.5993 -18.5993 -18.1357 -18.1357 -18.1074 -18.1074 -18.0928 -18.0928 -18.0802 -18.0802 -2.1368 -2.1368 -1.2011 -1.2011 2.8309 2.8309 5.3068 5.3068 5.7548 5.7548 7.2916 7.2916 7.6200 7.6200 8.6061 8.6061 8.6508 8.6508 8.7125 8.7125 9.4643 9.4643 10.5097 10.5097 11.4444 11.4444 11.4761 11.4761 11.6897 11.6897 k =-0.4816 0.2011-0.0000 ( 4552 PWs) bands (ev): -39.6173 -39.6173 -39.6113 -39.6113 -18.6205 -18.6205 -18.5994 -18.5994 -18.1358 -18.1358 -18.1076 -18.1076 -18.0929 -18.0929 -18.0802 -18.0802 -2.1295 -2.1295 -1.1957 -1.1957 2.8368 2.8368 5.3084 5.3084 5.6711 5.6711 7.3566 7.3566 7.6291 7.6291 8.5586 8.5586 8.6441 8.6441 8.7055 8.7055 9.4978 9.4978 10.5374 10.5374 11.4045 11.4045 11.4328 11.4328 11.7459 11.7462 k =-0.4755 0.2245-0.0000 ( 4556 PWs) bands (ev): -39.6172 -39.6172 -39.6113 -39.6113 -18.6207 -18.6207 -18.5996 -18.5996 -18.1359 -18.1359 -18.1079 -18.1079 -18.0931 -18.0931 -18.0802 -18.0802 -2.1194 -2.1194 -1.1882 -1.1882 2.8450 2.8450 5.3105 5.3105 5.5650 5.5650 7.4350 7.4350 7.6434 7.6434 8.4973 8.4973 8.6349 8.6349 8.6957 8.6957 9.5405 9.5405 10.5748 10.5748 11.3571 11.3571 11.3875 11.3875 11.6885 11.6885 k =-0.4694 0.2479-0.0000 ( 4556 PWs) bands (ev): -39.6172 -39.6172 -39.6113 -39.6113 -18.6208 -18.6208 -18.5998 -18.5998 -18.1361 -18.1361 -18.1082 -18.1082 -18.0933 -18.0933 -18.0802 -18.0802 -2.1064 -2.1064 -1.1786 -1.1786 2.8555 2.8555 5.3130 5.3130 5.4426 5.4426 7.5169 7.5169 7.6667 7.6667 8.4254 8.4254 8.6230 8.6230 8.6828 8.6828 9.5904 9.5904 10.6210 10.6210 11.3023 11.3023 11.3434 11.3434 11.6190 11.6190 k =-0.4632 0.2714-0.0000 ( 4560 PWs) bands (ev): -39.6172 -39.6172 -39.6112 -39.6112 -18.6210 -18.6210 -18.6000 -18.6000 -18.1362 -18.1362 -18.1087 -18.1087 -18.0936 -18.0936 -18.0801 -18.0801 -2.0906 -2.0906 -1.1669 -1.1669 2.8683 2.8683 5.3063 5.3063 5.3181 5.3181 7.5876 7.5876 7.7091 7.7091 8.3459 8.3459 8.6087 8.6087 8.6663 8.6663 9.6461 9.6461 10.6748 10.6748 11.2403 11.2403 11.3035 11.3035 11.5463 11.5463 k =-0.4571 0.2948-0.0000 ( 4552 PWs) bands (ev): -39.6171 -39.6171 -39.6112 -39.6112 -18.6212 -18.6212 -18.6003 -18.6003 -18.1364 -18.1364 -18.1092 -18.1092 -18.0939 -18.0939 -18.0801 -18.0801 -2.0718 -2.0718 -1.1532 -1.1532 2.8834 2.8834 5.1654 5.1654 5.3197 5.3197 7.6342 7.6342 7.7800 7.7800 8.2609 8.2609 8.5916 8.5916 8.6459 8.6459 9.7069 9.7069 10.7350 10.7350 11.1744 11.1744 11.2674 11.2674 11.4723 11.4723 k =-0.4510 0.3182-0.0000 ( 4552 PWs) bands (ev): -39.6171 -39.6171 -39.6111 -39.6111 -18.6214 -18.6214 -18.6006 -18.6006 -18.1366 -18.1366 -18.1098 -18.1098 -18.0942 -18.0942 -18.0801 -18.0801 -2.0502 -2.0502 -1.1375 -1.1375 2.9007 2.9007 5.0166 5.0166 5.3232 5.3232 7.6659 7.6659 7.8681 7.8681 8.1723 8.1723 8.5718 8.5718 8.6213 8.6213 9.7721 9.7721 10.8005 10.8005 11.1081 11.1081 11.2347 11.2347 11.3979 11.3979 k =-0.4448 0.3416-0.0000 ( 4542 PWs) bands (ev): -39.6170 -39.6170 -39.6111 -39.6111 -18.6216 -18.6216 -18.6009 -18.6009 -18.1368 -18.1368 -18.1104 -18.1104 -18.0946 -18.0946 -18.0800 -18.0800 -2.0256 -2.0256 -1.1199 -1.1199 2.9201 2.9201 4.8634 4.8634 5.3269 5.3269 7.6934 7.6934 7.9594 7.9594 8.0830 8.0830 8.5483 8.5483 8.5928 8.5928 9.8415 9.8415 10.8702 10.8702 11.0439 11.0439 11.2051 11.2051 11.3240 11.3240 k =-0.4387 0.3651-0.0000 ( 4542 PWs) bands (ev): -39.6170 -39.6170 -39.6110 -39.6110 -18.6219 -18.6219 -18.6013 -18.6013 -18.1371 -18.1371 -18.1111 -18.1111 -18.0950 -18.0950 -18.0800 -18.0800 -1.9983 -1.9983 -1.1004 -1.1004 2.9416 2.9416 4.7070 4.7070 5.3304 5.3304 7.7206 7.7206 7.9802 7.9802 8.0631 8.0631 8.5195 8.5195 8.5618 8.5618 9.9147 9.9147 10.9428 10.9428 10.9846 10.9846 11.1783 11.1783 11.2511 11.2511 k =-0.4326 0.3885-0.0000 ( 4538 PWs) bands (ev): -39.6169 -39.6169 -39.6110 -39.6110 -18.6222 -18.6222 -18.6017 -18.6017 -18.1374 -18.1374 -18.1119 -18.1119 -18.0954 -18.0954 -18.0799 -18.0799 -1.9680 -1.9680 -1.0790 -1.0790 2.9651 2.9651 4.5485 4.5485 5.3337 5.3337 7.7484 7.7484 7.8920 7.8920 8.1506 8.1506 8.4826 8.4826 8.5310 8.5310 9.9914 9.9914 10.9294 10.9294 11.0197 11.0197 11.1540 11.1540 11.1800 11.1800 k =-0.4265 0.4119-0.0000 ( 4540 PWs) bands (ev): -39.6168 -39.6168 -39.6109 -39.6109 -18.6225 -18.6225 -18.6022 -18.6022 -18.1378 -18.1378 -18.1128 -18.1128 -18.0958 -18.0958 -18.0798 -18.0798 -1.9349 -1.9349 -1.0559 -1.0559 2.9906 2.9906 4.3885 4.3885 5.3364 5.3364 7.7690 7.7690 7.8097 7.8097 8.2388 8.2388 8.4363 8.4363 8.5018 8.5018 10.0712 10.0712 10.8831 10.8831 11.0890 11.0890 11.1175 11.1175 11.1336 11.1336 k =-0.4203 0.4354-0.0000 ( 4542 PWs) bands (ev): -39.6167 -39.6167 -39.6108 -39.6108 -18.6229 -18.6229 -18.6026 -18.6026 -18.1382 -18.1382 -18.1137 -18.1137 -18.0962 -18.0962 -18.0798 -18.0798 -1.8990 -1.8990 -1.0312 -1.0312 3.0179 3.0179 4.2277 4.2277 5.3383 5.3383 7.7027 7.7027 7.8173 7.8173 8.3225 8.3225 8.3828 8.3828 8.4736 8.4736 10.1537 10.1537 10.8449 10.8449 11.0390 11.0390 11.1125 11.1125 11.1807 11.1807 k =-0.4142 0.4588-0.0000 ( 4538 PWs) bands (ev): -39.6167 -39.6167 -39.6107 -39.6107 -18.6233 -18.6233 -18.6031 -18.6031 -18.1386 -18.1386 -18.1147 -18.1147 -18.0966 -18.0966 -18.0796 -18.0796 -1.8602 -1.8602 -1.0049 -1.0049 3.0470 3.0470 4.0665 4.0665 5.3393 5.3393 7.6150 7.6150 7.8503 7.8503 8.3144 8.3144 8.4086 8.4086 8.4477 8.4477 10.2383 10.2383 10.8156 10.8156 10.9738 10.9738 11.0952 11.0952 11.1744 11.1744 k =-0.4081 0.4822-0.0000 ( 4542 PWs) bands (ev): -39.6166 -39.6166 -39.6106 -39.6106 -18.6236 -18.6236 -18.6037 -18.6037 -18.1391 -18.1391 -18.1158 -18.1158 -18.0971 -18.0971 -18.0795 -18.0795 -1.8185 -1.8185 -0.9771 -0.9771 3.0777 3.0777 3.9054 3.9054 5.3388 5.3388 7.5292 7.5292 7.8862 7.8862 8.2454 8.2454 8.4140 8.4140 8.4933 8.4933 10.3246 10.3246 10.7952 10.7952 10.9106 10.9106 11.0793 11.0793 11.0982 11.0982 k =-0.4019 0.5056-0.0000 ( 4534 PWs) bands (ev): -39.6165 -39.6165 -39.6106 -39.6106 -18.6240 -18.6240 -18.6042 -18.6042 -18.1395 -18.1395 -18.1168 -18.1168 -18.0975 -18.0975 -18.0794 -18.0794 -1.7740 -1.7740 -0.9479 -0.9479 3.1099 3.1099 3.7447 3.7447 5.3366 5.3366 7.4468 7.4468 7.9236 7.9236 8.1702 8.1702 8.3859 8.3859 8.5707 8.5707 10.4119 10.4119 10.7834 10.7834 10.8505 10.8505 11.0208 11.0208 11.0656 11.0656 k =-0.3958 0.5291-0.0000 ( 4532 PWs) bands (ev): -39.6164 -39.6164 -39.6105 -39.6105 -18.6244 -18.6244 -18.6048 -18.6048 -18.1401 -18.1401 -18.1179 -18.1179 -18.0979 -18.0979 -18.0793 -18.0793 -1.7267 -1.7267 -0.9175 -0.9175 3.1434 3.1434 3.5846 3.5846 5.3324 5.3324 7.3688 7.3688 7.9599 7.9599 8.0927 8.0927 8.3569 8.3569 8.6469 8.6469 10.4994 10.4994 10.7748 10.7748 10.7990 10.7990 10.9440 10.9440 11.0525 11.0525 k =-0.3897 0.5525-0.0000 ( 4524 PWs) bands (ev): -39.6163 -39.6163 -39.6104 -39.6104 -18.6249 -18.6249 -18.6054 -18.6054 -18.1406 -18.1406 -18.1190 -18.1190 -18.0982 -18.0982 -18.0791 -18.0791 -1.6766 -1.6766 -0.8860 -0.8860 3.1781 3.1781 3.4255 3.4255 5.3258 5.3258 7.2959 7.2959 7.9681 7.9681 8.0409 8.0409 8.3275 8.3275 8.7216 8.7216 10.5857 10.5857 10.7343 10.7343 10.7919 10.7919 10.8675 10.8675 11.0402 11.0402 k =-0.3836 0.5759-0.0000 ( 4514 PWs) bands (ev): -39.6162 -39.6162 -39.6103 -39.6103 -18.6253 -18.6253 -18.6059 -18.6059 -18.1412 -18.1412 -18.1201 -18.1201 -18.0986 -18.0986 -18.0789 -18.0789 -1.6237 -1.6237 -0.8536 -0.8536 3.2138 3.2138 3.2676 3.2676 5.3165 5.3165 7.2287 7.2287 7.8971 7.8971 8.0666 8.0666 8.2980 8.2980 8.7950 8.7950 10.6525 10.6525 10.7032 10.7032 10.7859 10.7859 10.8106 10.8106 11.0283 11.0283 k =-0.3774 0.5994-0.0000 ( 4526 PWs) bands (ev): -39.6161 -39.6161 -39.6102 -39.6102 -18.6258 -18.6258 -18.6066 -18.6066 -18.1419 -18.1419 -18.1213 -18.1213 -18.0990 -18.0990 -18.0787 -18.0787 -1.5679 -1.5679 -0.8204 -0.8204 3.1109 3.1109 3.2502 3.2502 5.3042 5.3042 7.1679 7.1679 7.8073 7.8073 8.1104 8.1104 8.2685 8.2685 8.8674 8.8674 10.6234 10.6234 10.7102 10.7102 10.7705 10.7705 10.8309 10.8309 11.0163 11.0163 k =-0.3713 0.6228-0.0000 ( 4520 PWs) bands (ev): -39.6160 -39.6160 -39.6101 -39.6101 -18.6262 -18.6262 -18.6072 -18.6072 -18.1425 -18.1425 -18.1224 -18.1224 -18.0993 -18.0993 -18.0785 -18.0785 -1.5094 -1.5094 -0.7866 -0.7866 2.9560 2.9560 3.2871 3.2871 5.2887 5.2887 7.1141 7.1141 7.7137 7.7137 8.1581 8.1581 8.2394 8.2394 8.9390 8.9390 10.5781 10.5781 10.6355 10.6355 10.8403 10.8403 10.8733 10.8733 11.0041 11.0041 k =-0.3652 0.6462-0.0000 ( 4520 PWs) bands (ev): -39.6159 -39.6159 -39.6100 -39.6100 -18.6267 -18.6267 -18.6078 -18.6078 -18.1432 -18.1432 -18.1236 -18.1236 -18.0995 -18.0995 -18.0783 -18.0783 -1.4481 -1.4481 -0.7523 -0.7523 2.8027 2.8027 3.3242 3.3242 5.2699 5.2699 7.0675 7.0675 7.6186 7.6186 8.2067 8.2067 8.2121 8.2121 9.0101 9.0101 10.5317 10.5317 10.5629 10.5629 10.8833 10.8833 10.9482 10.9482 10.9924 10.9924 k =-0.3590 0.6696-0.0000 ( 4522 PWs) bands (ev): -39.6158 -39.6158 -39.6099 -39.6099 -18.6271 -18.6271 -18.6084 -18.6084 -18.1439 -18.1439 -18.1247 -18.1247 -18.0998 -18.0998 -18.0781 -18.0781 -1.3840 -1.3840 -0.7179 -0.7179 2.6513 2.6513 3.3613 3.3613 5.2478 5.2478 7.0285 7.0285 7.5236 7.5236 8.1821 8.1821 8.2603 8.2603 9.0809 9.0809 10.4725 10.4725 10.5064 10.5064 10.9238 10.9238 10.9725 10.9725 11.0369 11.0369 k =-0.3529 0.6931-0.0000 ( 4520 PWs) bands (ev): -39.6157 -39.6157 -39.6098 -39.6098 -18.6276 -18.6276 -18.6090 -18.6090 -18.1446 -18.1446 -18.1258 -18.1258 -18.1000 -18.1000 -18.0780 -18.0780 -1.3172 -1.3172 -0.6835 -0.6835 2.5020 2.5020 3.3978 3.3978 5.2226 5.2226 6.9970 6.9970 7.4295 7.4295 8.1545 8.1545 8.3137 8.3137 9.1516 9.1516 10.3998 10.3998 10.4673 10.4673 10.9523 10.9523 10.9719 10.9719 11.1196 11.1196 k =-0.3468 0.7165-0.0000 ( 4528 PWs) bands (ev): -39.6156 -39.6156 -39.6097 -39.6097 -18.6281 -18.6281 -18.6096 -18.6096 -18.1453 -18.1453 -18.1269 -18.1269 -18.1003 -18.1003 -18.0778 -18.0778 -1.2476 -1.2476 -0.6494 -0.6494 2.3550 2.3550 3.4335 3.4335 5.1945 5.1945 6.9731 6.9731 7.3374 7.3374 8.1275 8.1275 8.3685 8.3685 9.2224 9.2224 10.3249 10.3249 10.4345 10.4345 10.9337 10.9337 11.0182 11.0182 11.2022 11.2022 k =-0.3407 0.7399-0.0000 ( 4522 PWs) bands (ev): -39.6155 -39.6155 -39.6096 -39.6096 -18.6285 -18.6285 -18.6102 -18.6102 -18.1460 -18.1460 -18.1279 -18.1279 -18.1004 -18.1004 -18.0776 -18.0776 -1.1753 -1.1753 -0.6158 -0.6158 2.2104 2.2104 3.4679 3.4679 5.1642 5.1642 6.9565 6.9565 7.2484 7.2484 8.1015 8.1015 8.4243 8.4243 9.2932 9.2932 10.2499 10.2499 10.4063 10.4063 10.9095 10.9095 11.0695 11.0695 11.2834 11.2834 k =-0.3345 0.7633-0.0000 ( 4526 PWs) bands (ev): -39.6155 -39.6155 -39.6096 -39.6096 -18.6289 -18.6289 -18.6108 -18.6108 -18.1467 -18.1467 -18.1289 -18.1289 -18.1006 -18.1006 -18.0774 -18.0774 -1.1003 -1.1003 -0.5831 -0.5831 2.0683 2.0683 3.5005 3.5005 5.1320 5.1320 6.9467 6.9467 7.1633 7.1633 8.0764 8.0764 8.4810 8.4810 9.3643 9.3643 10.1750 10.1750 10.3827 10.3827 10.8807 10.8807 11.1235 11.1235 11.3630 11.3630 k =-0.3284 0.7868-0.0000 ( 4518 PWs) bands (ev): -39.6154 -39.6154 -39.6095 -39.6095 -18.6294 -18.6294 -18.6113 -18.6113 -18.1474 -18.1474 -18.1298 -18.1298 -18.1008 -18.1008 -18.0772 -18.0772 -1.0226 -1.0226 -0.5517 -0.5517 1.9291 1.9291 3.5308 3.5308 5.0987 5.0987 6.9428 6.9428 7.0836 7.0836 8.0524 8.0524 8.5383 8.5383 9.4355 9.4355 10.1006 10.1006 10.3636 10.3636 10.8469 10.8469 11.1796 11.1796 11.4406 11.4406 k =-0.3223 0.8102-0.0000 ( 4532 PWs) bands (ev): -39.6153 -39.6153 -39.6094 -39.6094 -18.6298 -18.6298 -18.6119 -18.6119 -18.1480 -18.1480 -18.1308 -18.1308 -18.1009 -18.1009 -18.0770 -18.0770 -0.9422 -0.9422 -0.5218 -0.5218 1.7929 1.7929 3.5582 3.5582 5.0650 5.0650 6.9416 6.9416 7.0129 7.0129 8.0295 8.0295 8.5958 8.5958 9.5068 9.5068 10.0267 10.0267 10.3492 10.3492 10.8077 10.8077 11.2369 11.2369 11.5159 11.5159 k =-0.3161 0.8336-0.0000 ( 4532 PWs) bands (ev): -39.6152 -39.6152 -39.6093 -39.6093 -18.6302 -18.6302 -18.6124 -18.6124 -18.1487 -18.1487 -18.1316 -18.1316 -18.1010 -18.1010 -18.0768 -18.0768 -0.8591 -0.8591 -0.4939 -0.4939 1.6599 1.6599 3.5822 3.5822 5.0317 5.0317 6.9197 6.9197 6.9749 6.9749 8.0078 8.0078 8.6535 8.6535 9.5780 9.5780 9.9534 9.9534 10.3399 10.3399 10.7627 10.7627 11.2948 11.2948 11.5887 11.5887 k =-0.3100 0.8571-0.0000 ( 4534 PWs) bands (ev): -39.6152 -39.6152 -39.6093 -39.6093 -18.6306 -18.6306 -18.6128 -18.6128 -18.1493 -18.1493 -18.1324 -18.1324 -18.1011 -18.1011 -18.0767 -18.0767 -0.7734 -0.7734 -0.4685 -0.4685 1.5304 1.5304 3.6021 3.6021 4.9994 4.9994 6.8661 6.8661 6.9809 6.9809 7.9875 7.9875 8.7110 8.7110 9.6488 9.6488 9.8811 9.8811 10.3357 10.3357 10.7117 10.7117 11.3523 11.3523 11.6200 11.6201 k =-0.3039 0.8805-0.0000 ( 4530 PWs) bands (ev): -39.6151 -39.6151 -39.6092 -39.6092 -18.6309 -18.6309 -18.6132 -18.6132 -18.1498 -18.1498 -18.1331 -18.1331 -18.1012 -18.1012 -18.0765 -18.0765 -0.6850 -0.6850 -0.4460 -0.4460 1.4047 1.4047 3.6173 3.6173 4.9688 4.9688 6.8136 6.8136 6.9985 6.9985 7.9686 7.9686 8.7679 8.7679 9.7170 9.7170 9.8118 9.8118 10.3369 10.3369 10.6548 10.6548 11.4086 11.4086 11.5452 11.5452 k =-0.2978 0.9039-0.0000 ( 4532 PWs) bands (ev): -39.6150 -39.6150 -39.6091 -39.6091 -18.6312 -18.6312 -18.6136 -18.6136 -18.1504 -18.1504 -18.1337 -18.1337 -18.1013 -18.1013 -18.0763 -18.0763 -0.5940 -0.5940 -0.4271 -0.4271 1.2833 1.2833 3.6274 3.6274 4.9408 4.9408 6.7684 6.7684 7.0216 7.0216 7.9510 7.9510 8.8241 8.8241 9.7278 9.7278 9.7997 9.7997 10.3437 10.3437 10.5921 10.5921 11.4578 11.4578 11.4750 11.4750 k =-0.2916 0.9273-0.0000 ( 4540 PWs) bands (ev): -39.6150 -39.6150 -39.6091 -39.6091 -18.6315 -18.6315 -18.6139 -18.6139 -18.1508 -18.1508 -18.1343 -18.1343 -18.1014 -18.1014 -18.0762 -18.0762 -0.5005 -0.5005 -0.4123 -0.4123 1.1665 1.1665 3.6318 3.6318 4.9158 4.9158 6.7320 6.7320 7.0489 7.0489 7.9349 7.9349 8.8792 8.8792 9.6613 9.6613 9.8644 9.8644 10.3563 10.3563 10.5241 10.5241 11.3938 11.3938 11.5156 11.5156 k =-0.2855 0.9508-0.0000 ( 4556 PWs) bands (ev): -39.6149 -39.6149 -39.6090 -39.6090 -18.6318 -18.6318 -18.6143 -18.6143 -18.1513 -18.1513 -18.1348 -18.1348 -18.1015 -18.1015 -18.0761 -18.0761 -0.4045 -0.4045 -0.4022 -0.4022 1.0548 1.0548 3.6301 3.6301 4.8946 4.8946 6.7050 6.7050 7.0798 7.0798 7.9203 7.9203 8.9329 8.9329 9.5917 9.5917 9.9311 9.9311 10.3746 10.3746 10.4514 10.4514 11.3215 11.3215 11.5625 11.5625 k =-0.2794 0.9742-0.0000 ( 4556 PWs) bands (ev): -39.6149 -39.6149 -39.6090 -39.6090 -18.6321 -18.6321 -18.6145 -18.6145 -18.1517 -18.1517 -18.1353 -18.1353 -18.1015 -18.1015 -18.0760 -18.0760 -0.3979 -0.3979 -0.3058 -0.3058 0.9488 0.9488 3.6222 3.6222 4.8775 4.8775 6.6880 6.6880 7.1139 7.1139 7.9073 7.9073 8.9851 8.9851 9.5224 9.5224 9.9955 9.9955 10.3744 10.3744 10.3990 10.3990 11.2528 11.2528 11.6044 11.6044 k =-0.2732 0.9976-0.0000 ( 4556 PWs) bands (ev): -39.6149 -39.6149 -39.6090 -39.6090 -18.6322 -18.6322 -18.6147 -18.6147 -18.1520 -18.1520 -18.1356 -18.1356 -18.1016 -18.1016 -18.0759 -18.0759 -0.3999 -0.3999 -0.2047 -0.2047 0.8491 0.8491 3.6078 3.6078 4.8653 4.8653 6.6811 6.6811 7.1508 7.1508 7.8959 7.8959 9.0355 9.0355 9.4538 9.4538 10.0560 10.0560 10.2942 10.2942 10.4291 10.4291 11.1895 11.1895 11.6398 11.6398 k =-0.2671 1.0210-0.0000 ( 4554 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6324 -18.6324 -18.6148 -18.6148 -18.1522 -18.1522 -18.1359 -18.1359 -18.1016 -18.1016 -18.0758 -18.0758 -0.4090 -0.4090 -0.1011 -0.1011 0.7564 0.7564 3.5871 3.5871 4.8582 4.8582 6.6843 6.6843 7.1900 7.1900 7.8860 7.8860 9.0840 9.0840 9.3863 9.3863 10.1102 10.1102 10.2113 10.2113 10.4649 10.4649 11.1338 11.1338 11.6674 11.6674 k =-0.2671 1.0210-0.0000 ( 4554 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6324 -18.6324 -18.6148 -18.6148 -18.1522 -18.1522 -18.1359 -18.1359 -18.1016 -18.1016 -18.0758 -18.0758 -0.4090 -0.4090 -0.1011 -0.1011 0.7564 0.7564 3.5871 3.5871 4.8582 4.8582 6.6843 6.6843 7.1900 7.1900 7.8860 7.8860 9.0840 9.0840 9.3863 9.3863 10.1102 10.1102 10.2113 10.2113 10.4649 10.4649 11.1338 11.1338 11.6674 11.6674 k =-0.2671 1.0210 0.0241 ( 4552 PWs) bands (ev): -39.6149 -39.6149 -39.6089 -39.6089 -18.6324 -18.6324 -18.6149 -18.6149 -18.1522 -18.1522 -18.1359 -18.1359 -18.1016 -18.1016 -18.0758 -18.0758 -0.4079 -0.4079 -0.0998 -0.0998 0.7577 0.7577 3.5862 3.5862 4.8598 4.8598 6.6851 6.6851 7.1898 7.1898 7.8812 7.8812 9.0652 9.0652 9.3861 9.3861 10.1048 10.1048 10.1967 10.1967 10.4780 10.4780 11.1400 11.1400 11.6671 11.6671 k =-0.2671 1.0210 0.0482 ( 4552 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6324 -18.6324 -18.6149 -18.6149 -18.1521 -18.1521 -18.1359 -18.1359 -18.1018 -18.1018 -18.0760 -18.0760 -0.4046 -0.4046 -0.0960 -0.0960 0.7614 0.7614 3.5836 3.5836 4.8646 4.8646 6.6872 6.6872 7.1892 7.1892 7.8668 7.8668 9.0115 9.0115 9.3854 9.3854 10.0876 10.0876 10.1544 10.1544 10.5158 10.5158 11.1579 11.1579 11.6662 11.6662 k =-0.2671 1.0210 0.0723 ( 4553 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6324 -18.6324 -18.6150 -18.6150 -18.1521 -18.1521 -18.1359 -18.1359 -18.1020 -18.1020 -18.0763 -18.0763 -0.3991 -0.3991 -0.0896 -0.0896 0.7677 0.7677 3.5792 3.5792 4.8726 4.8726 6.6907 6.6907 7.1879 7.1879 7.8434 7.8434 8.9295 8.9295 9.3833 9.3833 10.0574 10.0574 10.0874 10.0874 10.5740 10.5740 11.1864 11.1864 11.6644 11.6644 k =-0.2671 1.0210 0.0964 ( 4547 PWs) bands (ev): -39.6148 -39.6148 -39.6089 -39.6089 -18.6325 -18.6325 -18.6151 -18.6151 -18.1520 -18.1520 -18.1359 -18.1359 -18.1023 -18.1023 -18.0766 -18.0766 -0.3913 -0.3913 -0.0807 -0.0807 0.7764 0.7764 3.5729 3.5729 4.8837 4.8837 6.6955 6.6955 7.1858 7.1858 7.8120 7.8120 8.8266 8.8266 9.3786 9.3786 9.9990 9.9990 10.0166 10.0166 10.6460 10.6460 11.2240 11.2240 11.6615 11.6615 k =-0.2671 1.0210 0.1205 ( 4539 PWs) bands (ev): -39.6147 -39.6147 -39.6089 -39.6089 -18.6325 -18.6325 -18.6153 -18.6153 -18.1518 -18.1518 -18.1360 -18.1360 -18.1027 -18.1027 -18.0771 -18.0771 -0.3813 -0.3813 -0.0692 -0.0692 0.7876 0.7876 3.5647 3.5647 4.8981 4.8981 6.7013 6.7013 7.1824 7.1824 7.7737 7.7737 8.7096 8.7096 9.3686 9.3686 9.8983 9.8983 9.9635 9.9635 10.7254 10.7254 11.2692 11.2692 11.6575 11.6575 k =-0.2671 1.0210 0.1446 ( 4537 PWs) bands (ev): -39.6146 -39.6146 -39.6088 -39.6088 -18.6326 -18.6326 -18.6155 -18.6155 -18.1516 -18.1516 -18.1360 -18.1360 -18.1031 -18.1031 -18.0777 -18.0777 -0.3692 -0.3692 -0.0552 -0.0552 0.8013 0.8013 3.5545 3.5545 4.9155 4.9155 6.7079 6.7079 7.1773 7.1773 7.7299 7.7299 8.5836 8.5836 9.3483 9.3483 9.7910 9.7910 9.9026 9.9026 10.8068 10.8068 11.3208 11.3208 11.6528 11.6528 k =-0.2671 1.0210 0.1687 ( 4530 PWs) bands (ev): -39.6145 -39.6145 -39.6088 -39.6088 -18.6327 -18.6327 -18.6157 -18.6157 -18.1514 -18.1514 -18.1361 -18.1361 -18.1037 -18.1037 -18.0784 -18.0784 -0.3548 -0.3548 -0.0387 -0.0387 0.8174 0.8174 3.5421 3.5421 4.9361 4.9361 6.7150 6.7150 7.1694 7.1694 7.6819 7.6819 8.4532 8.4532 9.3094 9.3094 9.6889 9.6889 9.8353 9.8353 10.8864 10.8864 11.3778 11.3778 11.6481 11.6481 k =-0.2671 1.0210 0.1928 ( 4532 PWs) bands (ev): -39.6144 -39.6144 -39.6088 -39.6088 -18.6328 -18.6328 -18.6160 -18.6160 -18.1512 -18.1512 -18.1362 -18.1362 -18.1043 -18.1043 -18.0791 -18.0791 -0.3382 -0.3382 -0.0196 -0.0196 0.8359 0.8359 3.5276 3.5276 4.9598 4.9598 6.7222 6.7222 7.1576 7.1576 7.6312 7.6312 8.3219 8.3219 9.2406 9.2406 9.6056 9.6056 9.7628 9.7628 10.9617 10.9617 11.4393 11.4393 11.6442 11.6442 k =-0.2671 1.0210 0.2169 ( 4530 PWs) bands (ev): -39.6143 -39.6143 -39.6087 -39.6087 -18.6329 -18.6329 -18.6163 -18.6163 -18.1510 -18.1510 -18.1363 -18.1363 -18.1050 -18.1050 -18.0800 -18.0800 -0.3194 -0.3194 0.0019 0.0019 0.8567 0.8567 3.5106 3.5106 4.9866 4.9866 6.7290 6.7290 7.1402 7.1402 7.5793 7.5793 8.1934 8.1934 9.1373 9.1373 9.5478 9.5478 9.6865 9.6865 11.0313 11.0313 11.5042 11.5042 11.6419 11.6419 k =-0.2671 1.0210 0.2410 ( 4536 PWs) bands (ev): -39.6142 -39.6142 -39.6087 -39.6087 -18.6330 -18.6330 -18.6167 -18.6167 -18.1507 -18.1507 -18.1364 -18.1364 -18.1058 -18.1058 -18.0809 -18.0809 -0.2985 -0.2985 0.0259 0.0259 0.8799 0.8799 3.4912 3.4912 5.0164 5.0164 6.7347 6.7347 7.1147 7.1147 7.5274 7.5274 8.0714 8.0714 9.0077 9.0077 9.5088 9.5088 9.6073 9.6073 11.0946 11.0946 11.5703 11.5703 11.6426 11.6426 k =-0.2671 1.0210 0.2650 ( 4530 PWs) bands (ev): -39.6141 -39.6141 -39.6087 -39.6087 -18.6332 -18.6332 -18.6171 -18.6171 -18.1505 -18.1505 -18.1366 -18.1366 -18.1065 -18.1065 -18.0820 -18.0820 -0.2753 -0.2753 0.0524 0.0524 0.9054 0.9054 3.4690 3.4690 5.0491 5.0491 6.7388 6.7388 7.0780 7.0780 7.4770 7.4770 7.9603 7.9603 8.8627 8.8627 9.4783 9.4783 9.5271 9.5271 11.1521 11.1521 11.6254 11.6254 11.6580 11.6580 k =-0.2671 1.0210 0.2891 ( 4523 PWs) bands (ev): -39.6139 -39.6139 -39.6086 -39.6086 -18.6333 -18.6333 -18.6175 -18.6175 -18.1502 -18.1502 -18.1367 -18.1367 -18.1074 -18.1074 -18.0830 -18.0830 -0.2500 -0.2500 0.0813 0.0813 0.9331 0.9331 3.4440 3.4440 5.0848 5.0848 6.7404 6.7404 7.0268 7.0268 7.4291 7.4291 7.8642 7.8642 8.7097 8.7097 9.4334 9.4334 9.4630 9.4630 11.2043 11.2043 11.6397 11.6397 11.7168 11.7168 k =-0.2671 1.0210 0.3132 ( 4528 PWs) bands (ev): -39.6138 -39.6138 -39.6086 -39.6086 -18.6335 -18.6335 -18.6179 -18.6179 -18.1499 -18.1499 -18.1369 -18.1369 -18.1083 -18.1083 -18.0842 -18.0842 -0.2225 -0.2225 0.1126 0.1126 0.9630 0.9630 3.4161 3.4161 5.1234 5.1234 6.7387 6.7387 6.9585 6.9585 7.3847 7.3847 7.7863 7.7863 8.5533 8.5533 9.3527 9.3527 9.4339 9.4339 11.2520 11.2520 11.6472 11.6472 11.7840 11.7840 k =-0.2671 1.0210 0.3373 ( 4533 PWs) bands (ev): -39.6136 -39.6136 -39.6085 -39.6085 -18.6336 -18.6336 -18.6184 -18.6184 -18.1496 -18.1496 -18.1371 -18.1371 -18.1092 -18.1092 -18.0854 -18.0854 -0.1928 -0.1928 0.1463 0.1463 0.9949 0.9949 3.3850 3.3850 5.1648 5.1648 6.7331 6.7331 6.8724 6.8724 7.3444 7.3444 7.7278 7.7278 8.3965 8.3965 9.2673 9.2673 9.4077 9.4077 11.2961 11.2961 11.6564 11.6564 11.8506 11.8506 k =-0.2671 1.0210 0.3614 ( 4535 PWs) bands (ev): -39.6135 -39.6135 -39.6085 -39.6085 -18.6338 -18.6338 -18.6189 -18.6189 -18.1493 -18.1493 -18.1374 -18.1374 -18.1101 -18.1101 -18.0866 -18.0866 -0.1610 -0.1610 0.1823 0.1823 1.0289 1.0289 3.3506 3.3506 5.2089 5.2089 6.7227 6.7227 6.7712 6.7712 7.3080 7.3080 7.6870 7.6870 8.2420 8.2420 9.1807 9.1807 9.3802 9.3802 11.3372 11.3372 11.6678 11.6678 11.9149 11.9149 k =-0.2671 1.0210 0.3855 ( 4531 PWs) bands (ev): -39.6133 -39.6133 -39.6084 -39.6084 -18.6340 -18.6340 -18.6194 -18.6194 -18.1490 -18.1490 -18.1376 -18.1376 -18.1110 -18.1110 -18.0879 -18.0879 -0.1271 -0.1271 0.2206 0.2206 1.0648 1.0648 3.3129 3.3129 5.2557 5.2557 6.6538 6.6538 6.7120 6.7120 7.2739 7.2739 7.6608 7.6608 8.0927 8.0927 9.0937 9.0937 9.3510 9.3510 11.3759 11.3759 11.6817 11.6817 11.9760 11.9760 k =-0.2671 1.0210 0.4096 ( 4529 PWs) bands (ev): -39.6131 -39.6131 -39.6083 -39.6083 -18.6341 -18.6341 -18.6200 -18.6200 -18.1487 -18.1487 -18.1378 -18.1378 -18.1119 -18.1119 -18.0892 -18.0892 -0.0910 -0.0910 0.2613 0.2613 1.1025 1.1025 3.2718 3.2718 5.3051 5.3051 6.5310 6.5310 6.6943 6.6943 7.2386 7.2386 7.6458 7.6458 7.9525 7.9525 9.0067 9.0067 9.3198 9.3198 11.4130 11.4130 11.6981 11.6981 12.0083 12.0088 k =-0.2671 1.0210 0.4337 ( 4533 PWs) bands (ev): -39.6129 -39.6129 -39.6083 -39.6083 -18.6343 -18.6343 -18.6206 -18.6206 -18.1484 -18.1484 -18.1381 -18.1381 -18.1129 -18.1129 -18.0905 -18.0905 -0.0528 -0.0528 0.3041 0.3041 1.1419 1.1419 3.2272 3.2272 5.3570 5.3570 6.4020 6.4020 6.6748 6.6748 7.1964 7.1964 7.6391 7.6391 7.8268 7.8268 8.9199 8.9199 9.2867 9.2867 11.4487 11.4487 11.7168 11.7168 12.0086 12.0086 k =-0.2671 1.0210 0.4578 ( 4537 PWs) bands (ev): -39.6127 -39.6127 -39.6082 -39.6082 -18.6345 -18.6345 -18.6212 -18.6212 -18.1481 -18.1481 -18.1384 -18.1384 -18.1138 -18.1138 -18.0918 -18.0918 -0.0125 -0.0125 0.3491 0.3491 1.1828 1.1828 3.1790 3.1790 5.4111 5.4111 6.2698 6.2698 6.6540 6.6540 7.1399 7.1399 7.6384 7.6384 7.7225 7.7225 8.8336 8.8336 9.2518 9.2518 11.4836 11.4836 11.7375 11.7375 12.0067 12.0067 k =-0.2671 1.0210 0.4819 ( 4548 PWs) bands (ev): -39.6125 -39.6125 -39.6082 -39.6082 -18.6348 -18.6348 -18.6218 -18.6218 -18.1479 -18.1479 -18.1388 -18.1388 -18.1147 -18.1147 -18.0932 -18.0932 0.0299 0.0299 0.3963 0.3963 1.2251 1.2251 3.1274 3.1274 5.4674 5.4674 6.1366 6.1366 6.6327 6.6327 7.0627 7.0627 7.6377 7.6377 7.6497 7.6497 8.7482 8.7482 9.2152 9.2152 11.5179 11.5179 11.7600 11.7600 12.0030 12.0030 k =-0.2671 1.0210 0.5060 ( 4556 PWs) bands (ev): -39.6123 -39.6123 -39.6081 -39.6081 -18.6350 -18.6350 -18.6225 -18.6225 -18.1477 -18.1477 -18.1391 -18.1391 -18.1155 -18.1155 -18.0945 -18.0945 0.0743 0.0743 0.4454 0.4454 1.2687 1.2687 3.0723 3.0723 5.5253 5.5253 6.0041 6.0041 6.6116 6.6116 6.9642 6.9642 7.5932 7.5932 7.6509 7.6509 8.6638 8.6638 9.1773 9.1773 11.5519 11.5519 11.7836 11.7836 11.9981 11.9981 k =-0.2671 1.0210 0.5301 ( 4554 PWs) bands (ev): -39.6121 -39.6121 -39.6081 -39.6081 -18.6351 -18.6351 -18.6231 -18.6231 -18.1475 -18.1475 -18.1395 -18.1395 -18.1163 -18.1163 -18.0958 -18.0958 0.1208 0.1208 0.4966 0.4966 1.3132 1.3132 3.0140 3.0140 5.5836 5.5836 5.8747 5.8747 6.5902 6.5902 6.8504 6.8504 7.5643 7.5643 7.6603 7.6603 8.5810 8.5810 9.1382 9.1382 11.5858 11.5858 11.8075 11.8075 11.9932 11.9932 k =-0.2671 1.0210 0.5542 ( 4556 PWs) bands (ev): -39.6119 -39.6119 -39.6081 -39.6081 -18.6353 -18.6353 -18.6238 -18.6238 -18.1474 -18.1474 -18.1399 -18.1399 -18.1170 -18.1170 -18.0971 -18.0971 0.1693 0.1693 0.5496 0.5496 1.3584 1.3584 2.9525 2.9525 5.6331 5.6331 5.7583 5.7583 6.5644 6.5644 6.7326 6.7326 7.5492 7.5492 7.6713 7.6713 8.5002 8.5002 9.0982 9.0982 11.6198 11.6198 11.8300 11.8300 11.9900 11.9900 k =-0.2671 1.0210 0.5783 ( 4556 PWs) bands (ev): -39.6117 -39.6117 -39.6080 -39.6080 -18.6355 -18.6355 -18.6245 -18.6245 -18.1473 -18.1473 -18.1403 -18.1403 -18.1176 -18.1176 -18.0984 -18.0984 0.2198 0.2198 0.6044 0.6044 1.4041 1.4041 2.8880 2.8880 5.5909 5.5909 5.7383 5.7383 6.5129 6.5129 6.6376 6.6376 7.5425 7.5425 7.6828 7.6828 8.4220 8.4220 9.0576 9.0576 11.6540 11.6540 11.8485 11.8485 11.9915 11.9915 k =-0.2671 1.0210 0.6024 ( 4554 PWs) bands (ev): -39.6115 -39.6115 -39.6080 -39.6080 -18.6356 -18.6356 -18.6252 -18.6252 -18.1472 -18.1472 -18.1407 -18.1407 -18.1181 -18.1181 -18.0996 -18.0996 0.2722 0.2722 0.6608 0.6608 1.4499 1.4499 2.8207 2.8207 5.4771 5.4771 5.7953 5.7953 6.4080 6.4080 6.5968 6.5968 7.5401 7.5401 7.6940 7.6940 8.3472 8.3472 9.0165 9.0165 11.6884 11.6884 11.8597 11.8597 12.0013 12.0013 k =-0.2671 1.0210 0.6265 ( 4554 PWs) bands (ev): -39.6113 -39.6113 -39.6080 -39.6080 -18.6358 -18.6358 -18.6259 -18.6259 -18.1472 -18.1472 -18.1411 -18.1411 -18.1186 -18.1186 -18.1008 -18.1008 0.3266 0.3266 0.7188 0.7188 1.4954 1.4954 2.7508 2.7508 5.3601 5.3601 5.8615 5.8615 6.2792 6.2792 6.5832 6.5832 7.5392 7.5392 7.7033 7.7033 8.2771 8.2771 8.9751 8.9751 11.7232 11.7232 11.8627 11.8627 12.0210 12.0210 k =-0.2671 1.0210 0.6506 ( 4550 PWs) bands (ev): -39.6111 -39.6111 -39.6079 -39.6079 -18.6359 -18.6359 -18.6265 -18.6265 -18.1472 -18.1472 -18.1416 -18.1416 -18.1190 -18.1190 -18.1020 -18.1020 0.3829 0.3829 0.7782 0.7782 1.5402 1.5402 2.6787 2.6787 5.2465 5.2465 5.9305 5.9305 6.1455 6.1455 6.5794 6.5794 7.5379 7.5379 7.7089 7.7089 8.2135 8.2135 8.9337 8.9337 11.7581 11.7581 11.8596 11.8596 12.0488 12.0488 k =-0.2671 1.0210 0.6747 ( 4556 PWs) bands (ev): -39.6109 -39.6109 -39.6079 -39.6079 -18.6360 -18.6360 -18.6272 -18.6272 -18.1473 -18.1473 -18.1421 -18.1421 -18.1193 -18.1193 -18.1032 -18.1032 0.4411 0.4411 0.8387 0.8387 1.5838 1.5838 2.6045 2.6045 5.1381 5.1381 5.9971 5.9971 6.0159 6.0159 6.5816 6.5816 7.5347 7.5347 7.7084 7.7084 8.1589 8.1589 8.8924 8.8924 11.7929 11.7929 11.8539 11.8539 12.0821 12.0821 k =-0.2671 1.0210 0.6988 ( 4555 PWs) bands (ev): -39.6107 -39.6107 -39.6079 -39.6079 -18.6361 -18.6361 -18.6279 -18.6279 -18.1473 -18.1473 -18.1425 -18.1425 -18.1194 -18.1194 -18.1043 -18.1043 0.5010 0.5010 0.9002 0.9002 1.6257 1.6257 2.5285 2.5285 5.0357 5.0357 5.8784 5.8784 6.0747 6.0747 6.5886 6.5886 7.5286 7.5286 7.6986 7.6986 8.1163 8.1163 8.8514 8.8514 11.8255 11.8255 11.8499 11.8499 12.1191 12.1191 k =-0.2671 1.0210 0.7229 ( 4553 PWs) bands (ev): -39.6105 -39.6105 -39.6079 -39.6079 -18.6362 -18.6362 -18.6286 -18.6286 -18.1474 -18.1474 -18.1430 -18.1430 -18.1195 -18.1195 -18.1053 -18.1053 0.5627 0.5627 0.9625 0.9625 1.6651 1.6651 2.4512 2.4512 4.9404 4.9404 5.7489 5.7489 6.1481 6.1481 6.6000 6.6000 7.5188 7.5188 7.6771 7.6771 8.0884 8.0884 8.8107 8.8107 11.8367 11.8367 11.8683 11.8683 12.1585 12.1585 k =-0.2671 1.0210 0.7470 ( 4555 PWs) bands (ev): -39.6103 -39.6103 -39.6079 -39.6079 -18.6362 -18.6362 -18.6292 -18.6292 -18.1476 -18.1476 -18.1435 -18.1435 -18.1195 -18.1195 -18.1064 -18.1064 0.6261 0.6261 1.0251 1.0251 1.7014 1.7014 2.3727 2.3727 4.8529 4.8529 5.6226 5.6226 6.2224 6.2224 6.6156 6.6156 7.5044 7.5044 7.6437 7.6437 8.0754 8.0754 8.7704 8.7704 11.8350 11.8350 11.9015 11.9015 12.1994 12.1994 k =-0.2671 1.0210 0.7711 ( 4557 PWs) bands (ev): -39.6101 -39.6101 -39.6079 -39.6079 -18.6363 -18.6363 -18.6298 -18.6298 -18.1477 -18.1477 -18.1440 -18.1440 -18.1195 -18.1195 -18.1073 -18.1073 0.6911 0.6911 1.0879 1.0879 1.7340 1.7340 2.2935 2.2935 4.7741 4.7741 5.5003 5.5003 6.2972 6.2972 6.6350 6.6350 7.4850 7.4850 7.6004 7.6004 8.0755 8.0755 8.7304 8.7304 11.8353 11.8353 11.9351 11.9351 12.2412 12.2412 k =-0.2671 1.0210 0.7951 ( 4565 PWs) bands (ev): -39.6099 -39.6099 -39.6080 -39.6080 -18.6363 -18.6363 -18.6305 -18.6305 -18.1478 -18.1478 -18.1445 -18.1445 -18.1193 -18.1193 -18.1083 -18.1083 0.7577 0.7577 1.1501 1.1501 1.7619 1.7619 2.2139 2.2139 4.7049 4.7049 5.3823 5.3823 6.3723 6.3723 6.6582 6.6582 7.4599 7.4599 7.5506 7.5506 8.0857 8.0857 8.6908 8.6908 11.8392 11.8392 11.9674 11.9674 12.2833 12.2833 k =-0.2671 1.0210 0.8192 ( 4565 PWs) bands (ev): -39.6097 -39.6097 -39.6080 -39.6080 -18.6362 -18.6362 -18.6311 -18.6311 -18.1480 -18.1480 -18.1449 -18.1449 -18.1191 -18.1191 -18.1092 -18.1092 0.8257 0.8257 1.2114 1.2114 1.7846 1.7846 2.1344 2.1344 4.6462 4.6462 5.2694 5.2694 6.4473 6.4473 6.6850 6.6850 7.4286 7.4286 7.4980 7.4980 8.1029 8.1029 8.6516 8.6516 11.8471 11.8471 11.9976 11.9976 12.3250 12.3250 k =-0.2671 1.0210 0.8433 ( 4567 PWs) bands (ev): -39.6096 -39.6096 -39.6080 -39.6080 -18.6362 -18.6362 -18.6316 -18.6316 -18.1481 -18.1481 -18.1454 -18.1454 -18.1188 -18.1188 -18.1101 -18.1101 0.8949 0.8949 1.2709 1.2709 1.8012 1.8012 2.0557 2.0557 4.5988 4.5988 5.1619 5.1619 6.5218 6.5218 6.7151 6.7151 7.3901 7.3901 7.4453 7.4453 8.1254 8.1254 8.6128 8.6128 11.8593 11.8593 12.0245 12.0245 12.3656 12.3675 k =-0.2671 1.0210 0.8674 ( 4564 PWs) bands (ev): -39.6094 -39.6094 -39.6081 -39.6081 -18.6361 -18.6361 -18.6322 -18.6322 -18.1481 -18.1481 -18.1458 -18.1458 -18.1184 -18.1184 -18.1109 -18.1109 0.9654 0.9654 1.3274 1.3274 1.8114 1.8114 1.9786 1.9786 4.5633 4.5633 5.0604 5.0604 6.5954 6.5954 6.7485 6.7485 7.3443 7.3443 7.3946 7.3946 8.1515 8.1515 8.5742 8.5742 11.8758 11.8758 12.0468 12.0468 12.4047 12.4095 k =-0.2671 1.0210 0.8915 ( 4564 PWs) bands (ev): -39.6092 -39.6092 -39.6081 -39.6081 -18.6360 -18.6360 -18.6327 -18.6327 -18.1482 -18.1482 -18.1462 -18.1462 -18.1180 -18.1180 -18.1117 -18.1117 1.0367 1.0367 1.3791 1.3791 1.8147 1.8147 1.9046 1.9046 4.5403 4.5403 4.9656 4.9656 6.6675 6.6675 6.7849 6.7849 7.2933 7.2933 7.3453 7.3453 8.1804 8.1804 8.5359 8.5359 11.8961 11.8961 12.0631 12.0631 12.4320 12.4324 k =-0.2671 1.0210 0.9156 ( 4562 PWs) bands (ev): -39.6091 -39.6091 -39.6082 -39.6082 -18.6358 -18.6358 -18.6332 -18.6332 -18.1482 -18.1482 -18.1466 -18.1466 -18.1176 -18.1176 -18.1125 -18.1125 1.1086 1.1086 1.4226 1.4226 1.8111 1.8111 1.8366 1.8366 4.5301 4.5301 4.8781 4.8781 6.7371 6.7371 6.8241 6.8241 7.2403 7.2403 7.2957 7.2957 8.2114 8.2114 8.4978 8.4978 11.9197 11.9197 12.0722 12.0722 12.4430 12.4430 k =-0.2671 1.0210 0.9397 ( 4562 PWs) bands (ev): -39.6089 -39.6089 -39.6083 -39.6083 -18.6356 -18.6356 -18.6336 -18.6336 -18.1481 -18.1481 -18.1469 -18.1469 -18.1171 -18.1171 -18.1133 -18.1133 1.1804 1.1804 1.4519 1.4519 1.7803 1.7803 1.8009 1.8009 4.5329 4.5329 4.7987 4.7987 6.8027 6.8027 6.8658 6.8658 7.1880 7.1880 7.2453 7.2453 8.2441 8.2441 8.4600 8.4600 11.9455 11.9455 12.0730 12.0730 12.4530 12.4530 k =-0.2671 1.0210 0.9638 ( 4560 PWs) bands (ev): -39.6088 -39.6088 -39.6084 -39.6084 -18.6353 -18.6353 -18.6340 -18.6340 -18.1480 -18.1480 -18.1472 -18.1472 -18.1165 -18.1165 -18.1140 -18.1140 1.2514 1.2514 1.4571 1.4571 1.7449 1.7449 1.7853 1.7853 4.5483 4.5483 4.7279 4.7279 6.8614 6.8614 6.9086 6.9086 7.1395 7.1395 7.1954 7.1954 8.2781 8.2781 8.4226 8.4226 11.9723 11.9723 12.0658 12.0658 12.4628 12.4628 k =-0.2671 1.0210 0.9879 ( 4558 PWs) bands (ev): -39.6087 -39.6087 -39.6085 -39.6085 -18.6351 -18.6351 -18.6344 -18.6344 -18.1479 -18.1479 -18.1474 -18.1474 -18.1160 -18.1160 -18.1146 -18.1146 1.3199 1.3199 1.4317 1.4317 1.7362 1.7362 1.7661 1.7661 4.5762 4.5762 4.6668 4.6668 6.9075 6.9075 6.9469 6.9469 7.1007 7.1007 7.1516 7.1516 8.3131 8.3131 8.3855 8.3855 11.9977 11.9977 12.0523 12.0523 12.4720 12.4721 k =-0.2671 1.0210 1.0120 ( 4562 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6348 -18.6348 -18.6347 -18.6347 -18.1479 -18.1479 -18.1476 -18.1476 -18.1155 -18.1155 -18.1151 -18.1151 1.3822 1.3822 1.3824 1.3824 1.7471 1.7471 1.7474 1.7474 4.6144 4.6144 4.6175 4.6175 6.9277 6.9277 6.9640 6.9640 7.0849 7.0849 7.1308 7.1308 8.3489 8.3489 8.3491 8.3491 12.0126 12.0126 12.0413 12.0413 12.4784 12.4806 k =-0.2671 1.0210 1.0120 ( 4562 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6348 -18.6348 -18.6347 -18.6347 -18.1479 -18.1479 -18.1476 -18.1476 -18.1155 -18.1155 -18.1151 -18.1151 1.3822 1.3822 1.3824 1.3824 1.7471 1.7471 1.7474 1.7474 4.6144 4.6144 4.6175 4.6175 6.9277 6.9277 6.9640 6.9640 7.0849 7.0849 7.1308 7.1308 8.3489 8.3489 8.3491 8.3491 12.0126 12.0126 12.0413 12.0413 12.4782 12.4788 k =-0.2732 0.9976 1.0120 ( 4562 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6347 -18.6347 -18.6346 -18.6346 -18.1477 -18.1477 -18.1474 -18.1474 -18.1155 -18.1155 -18.1151 -18.1151 1.3696 1.3696 1.3697 1.3697 1.7361 1.7361 1.7364 1.7364 4.6399 4.6399 4.6432 4.6432 6.9463 6.9463 6.9807 6.9807 7.1067 7.1067 7.1518 7.1518 8.3265 8.3265 8.3272 8.3272 11.9988 11.9988 12.0259 12.0259 12.4808 12.4842 k =-0.2794 0.9742 1.0120 ( 4566 PWs) bands (ev): -39.6086 -39.6086 -39.6086 -39.6086 -18.6346 -18.6346 -18.6344 -18.6344 -18.1474 -18.1474 -18.1472 -18.1472 -18.1154 -18.1154 -18.1150 -18.1150 1.3508 1.3508 1.3509 1.3509 1.7249 1.7249 1.7252 1.7252 4.6750 4.6750 4.6786 4.6786 6.9660 6.9660 6.9994 6.9994 7.1267 7.1267 7.1719 7.1719 8.3052 8.3052 8.3067 8.3067 11.9803 11.9803 12.0059 12.0059 12.4867 12.4910 k =-0.2855 0.9508 1.0120 ( 4570 PWs) bands (ev): -39.6087 -39.6087 -39.6087 -39.6087 -18.6345 -18.6345 -18.6342 -18.6342 -18.1471 -18.1471 -18.1470 -18.1470 -18.1153 -18.1153 -18.1150 -18.1150 1.3266 1.3266 1.3268 1.3268 1.7133 1.7133 1.7137 1.7137 4.7196 4.7196 4.7233 4.7233 6.9871 6.9871 7.0204 7.0204 7.1446 7.1446 7.1906 7.1906 8.2850 8.2850 8.2874 8.2874 11.9611 11.9611 11.9852 11.9852 12.4942 12.4953 k =-0.2916 0.9273 1.0120 ( 4570 PWs) bands (ev): -39.6087 -39.6087 -39.6087 -39.6087 -18.6343 -18.6343 -18.6340 -18.6340 -18.1467 -18.1467 -18.1467 -18.1467 -18.1153 -18.1153 -18.1150 -18.1150 1.2977 1.2977 1.2980 1.2980 1.7010 1.7010 1.7014 1.7014 4.7731 4.7731 4.7771 4.7771 7.0094 7.0094 7.0433 7.0433 7.1603 7.1603 7.2080 7.2080 8.2659 8.2659 8.2691 8.2691 11.9439 11.9439 11.9668 11.9668 12.5002 12.5012 k =-0.2978 0.9039 1.0120 ( 4558 PWs) bands (ev): -39.6088 -39.6088 -39.6088 -39.6088 -18.6340 -18.6340 -18.6337 -18.6337 -18.1463 -18.1463 -18.1463 -18.1463 -18.1151 -18.1151 -18.1149 -18.1149 1.2649 1.2649 1.2653 1.2653 1.6880 1.6880 1.6884 1.6884 4.8351 4.8351 4.8394 4.8394 7.0325 7.0325 7.0676 7.0676 7.1744 7.1744 7.2243 7.2243 8.2478 8.2478 8.2517 8.2517 11.9307 11.9307 11.9524 11.9524 12.5045 12.5056 k =-0.3039 0.8805 1.0120 ( 4550 PWs) bands (ev): -39.6088 -39.6088 -39.6088 -39.6088 -18.6338 -18.6338 -18.6334 -18.6334 -18.1460 -18.1460 -18.1459 -18.1459 -18.1150 -18.1150 -18.1148 -18.1148 1.2288 1.2288 1.2293 1.2293 1.6740 1.6740 1.6743 1.6743 4.9049 4.9049 4.9097 4.9097 7.0555 7.0555 7.0917 7.0917 7.1882 7.1882 7.2402 7.2402 8.2306 8.2306 8.2352 8.2352 11.9223 11.9223 11.9432 11.9432 12.5067 12.5091 k =-0.3100 0.8571 1.0120 ( 4546 PWs) bands (ev): -39.6089 -39.6089 -39.6089 -39.6089 -18.6335 -18.6335 -18.6331 -18.6331 -18.1455 -18.1455 -18.1454 -18.1454 -18.1149 -18.1149 -18.1146 -18.1146 1.1900 1.1900 1.1907 1.1907 1.6589 1.6589 1.6593 1.6593 4.9822 4.9822 4.9874 4.9874 7.0775 7.0775 7.1134 7.1134 7.2038 7.2038 7.2566 7.2566 8.2144 8.2144 8.2196 8.2196 11.9194 11.9194 11.9395 11.9395 12.5078 12.5093 k =-0.3161 0.8336 1.0120 ( 4558 PWs) bands (ev): -39.6090 -39.6090 -39.6090 -39.6090 -18.6332 -18.6332 -18.6328 -18.6328 -18.1451 -18.1451 -18.1449 -18.1449 -18.1147 -18.1147 -18.1145 -18.1145 1.1492 1.1492 1.1500 1.1500 1.6429 1.6429 1.6432 1.6432 5.0663 5.0663 5.0719 5.0719 7.0969 7.0969 7.1299 7.1299 7.2238 7.2238 7.2747 7.2747 8.1995 8.1995 8.2051 8.2051 11.9221 11.9221 11.9415 11.9415 12.5071 12.5072 k =-0.3223 0.8102 1.0120 ( 4554 PWs) bands (ev): -39.6090 -39.6090 -39.6090 -39.6090 -18.6329 -18.6329 -18.6325 -18.6325 -18.1446 -18.1446 -18.1444 -18.1444 -18.1146 -18.1146 -18.1144 -18.1144 1.1069 1.1069 1.1077 1.1077 1.6260 1.6260 1.6263 1.6263 5.1565 5.1565 5.1628 5.1628 7.1126 7.1126 7.1398 7.1398 7.2495 7.2495 7.2956 7.2956 8.1861 8.1861 8.1922 8.1922 11.9302 11.9302 11.9491 11.9491 12.5057 12.5071 k =-0.3284 0.7868 1.0120 ( 4554 PWs) bands (ev): -39.6091 -39.6091 -39.6091 -39.6091 -18.6326 -18.6326 -18.6321 -18.6321 -18.1441 -18.1441 -18.1438 -18.1438 -18.1143 -18.1143 -18.1142 -18.1142 1.0634 1.0634 1.0644 1.0644 1.6083 1.6083 1.6085 1.6085 5.2524 5.2524 5.2593 5.2593 7.1238 7.1238 7.1439 7.1439 7.2796 7.2796 7.3196 7.3196 8.1748 8.1748 8.1812 8.1812 11.9435 11.9435 11.9619 11.9619 12.5015 12.5027 k =-0.3345 0.7633 1.0120 ( 4558 PWs) bands (ev): -39.6092 -39.6092 -39.6092 -39.6092 -18.6323 -18.6323 -18.6318 -18.6318 -18.1436 -18.1436 -18.1433 -18.1433 -18.1141 -18.1141 -18.1139 -18.1139 1.0193 1.0193 1.0203 1.0203 1.5899 1.5899 1.5900 1.5900 5.3533 5.3533 5.3611 5.3611 7.1307 7.1307 7.1440 7.1440 7.3120 7.3120 7.3462 7.3462 8.1661 8.1661 8.1728 8.1728 11.9614 11.9614 11.9794 11.9794 12.4937 12.4946 k =-0.3407 0.7399 1.0120 ( 4554 PWs) bands (ev): -39.6093 -39.6093 -39.6093 -39.6093 -18.6319 -18.6319 -18.6314 -18.6314 -18.1431 -18.1431 -18.1428 -18.1428 -18.1138 -18.1138 -18.1137 -18.1137 0.9748 0.9748 0.9759 0.9759 1.5709 1.5709 1.5710 1.5710 5.4586 5.4586 5.4673 5.4673 7.1340 7.1340 7.1414 7.1414 7.3447 7.3447 7.3742 7.3742 8.1610 8.1610 8.1679 8.1679 11.9833 11.9833 12.0009 12.0009 12.4752 12.4777 k =-0.3468 0.7165 1.0120 ( 4554 PWs) bands (ev): -39.6094 -39.6094 -39.6094 -39.6094 -18.6315 -18.6315 -18.6310 -18.6310 -18.1426 -18.1426 -18.1422 -18.1422 -18.1135 -18.1135 -18.1134 -18.1134 0.9303 0.9303 0.9315 0.9315 1.5515 1.5515 1.5516 1.5516 5.5677 5.5677 5.5774 5.5774 7.1344 7.1344 7.1372 7.1372 7.3763 7.3763 7.4023 7.4023 8.1605 8.1605 8.1673 8.1673 12.0082 12.0082 12.0255 12.0255 12.4450 12.4454 k =-0.3529 0.6931 1.0120 ( 4558 PWs) bands (ev): -39.6095 -39.6095 -39.6095 -39.6095 -18.6311 -18.6311 -18.6306 -18.6306 -18.1422 -18.1422 -18.1417 -18.1417 -18.1132 -18.1132 -18.1130 -18.1130 0.8860 0.8860 0.8873 0.8873 1.5318 1.5318 1.5319 1.5319 5.6797 5.6797 5.6907 5.6907 7.1321 7.1321 7.1330 7.1330 7.4053 7.4053 7.4288 7.4288 8.1655 8.1655 8.1723 8.1723 12.0348 12.0348 12.0518 12.0518 12.4025 12.4027 k =-0.3590 0.6696 1.0120 ( 4566 PWs) bands (ev): -39.6095 -39.6095 -39.6095 -39.6095 -18.6308 -18.6308 -18.6302 -18.6302 -18.1417 -18.1417 -18.1413 -18.1413 -18.1128 -18.1128 -18.1126 -18.1126 0.8422 0.8422 0.8436 0.8436 1.5119 1.5119 1.5120 1.5120 5.7940 5.7940 5.8064 5.8064 7.1270 7.1270 7.1307 7.1307 7.4304 7.4304 7.4525 7.4525 8.1771 8.1771 8.1837 8.1837 12.0612 12.0612 12.0777 12.0777 12.3560 12.3561 k =-0.3652 0.6462 1.0120 ( 4576 PWs) bands (ev): -39.6096 -39.6096 -39.6096 -39.6096 -18.6304 -18.6304 -18.6298 -18.6298 -18.1413 -18.1413 -18.1409 -18.1409 -18.1123 -18.1123 -18.1122 -18.1122 0.7992 0.7992 0.8006 0.8006 1.4920 1.4920 1.4922 1.4922 5.9095 5.9095 5.9236 5.9236 7.1227 7.1227 7.1286 7.1286 7.4510 7.4510 7.4722 7.4722 8.1962 8.1962 8.2024 8.2024 12.0832 12.0832 12.0988 12.0988 12.3103 12.3105 k =-0.3713 0.6228 1.0120 ( 4580 PWs) bands (ev): -39.6097 -39.6097 -39.6097 -39.6097 -18.6300 -18.6300 -18.6294 -18.6294 -18.1409 -18.1409 -18.1404 -18.1404 -18.1119 -18.1119 -18.1117 -18.1117 0.7571 0.7571 0.7585 0.7585 1.4722 1.4722 1.4724 1.4724 6.0249 6.0249 6.0409 6.0409 7.1204 7.1204 7.1278 7.1278 7.4663 7.4663 7.4875 7.4875 8.2232 8.2232 8.2289 8.2289 12.0918 12.0918 12.1051 12.1051 12.2744 12.2749 k =-0.3774 0.5994 1.0120 ( 4580 PWs) bands (ev): -39.6098 -39.6098 -39.6098 -39.6098 -18.6296 -18.6296 -18.6290 -18.6290 -18.1405 -18.1405 -18.1401 -18.1401 -18.1114 -18.1114 -18.1112 -18.1112 0.7161 0.7161 0.7175 0.7175 1.4526 1.4526 1.4529 1.4529 6.1388 6.1388 6.1567 6.1567 7.1214 7.1214 7.1297 7.1297 7.4764 7.4764 7.4983 7.4983 8.2583 8.2583 8.2633 8.2633 12.0731 12.0731 12.0829 12.0829 12.2625 12.2627 k =-0.3836 0.5759 1.0120 ( 4576 PWs) bands (ev): -39.6099 -39.6099 -39.6099 -39.6099 -18.6292 -18.6292 -18.6286 -18.6286 -18.1401 -18.1401 -18.1397 -18.1397 -18.1108 -18.1108 -18.1106 -18.1106 0.6763 0.6763 0.6777 0.6777 1.4333 1.4333 1.4337 1.4337 6.2489 6.2489 6.2688 6.2688 7.1279 7.1279 7.1360 7.1360 7.4817 7.4817 7.5052 7.5052 8.3010 8.3010 8.3052 8.3052 12.0265 12.0265 12.0341 12.0341 12.2754 12.2758 k =-0.3897 0.5525 1.0120 ( 4572 PWs) bands (ev): -39.6100 -39.6100 -39.6100 -39.6100 -18.6288 -18.6288 -18.6282 -18.6282 -18.1398 -18.1398 -18.1394 -18.1394 -18.1102 -18.1102 -18.1100 -18.1100 0.6380 0.6380 0.6393 0.6393 1.4145 1.4145 1.4149 1.4149 6.3523 6.3523 6.3741 6.3741 7.1426 7.1426 7.1491 7.1491 7.4829 7.4829 7.5092 7.5092 8.3507 8.3507 8.3538 8.3538 11.9634 11.9634 11.9707 11.9707 12.3010 12.3017 k =-0.3958 0.5291 1.0120 ( 4572 PWs) bands (ev): -39.6101 -39.6101 -39.6101 -39.6101 -18.6284 -18.6284 -18.6279 -18.6279 -18.1395 -18.1395 -18.1391 -18.1391 -18.1096 -18.1096 -18.1094 -18.1094 0.6011 0.6011 0.6025 0.6025 1.3962 1.3962 1.3966 1.3966 6.4455 6.4455 6.4684 6.4684 7.1691 7.1691 7.1715 7.1715 7.4810 7.4810 7.5118 7.5118 8.4065 8.4065 8.4084 8.4084 11.8914 11.8914 11.8993 11.8993 12.3319 12.3329 k =-0.4019 0.5056 1.0120 ( 4576 PWs) bands (ev): -39.6102 -39.6102 -39.6102 -39.6102 -18.6280 -18.6280 -18.6275 -18.6275 -18.1393 -18.1393 -18.1389 -18.1389 -18.1089 -18.1089 -18.1088 -18.1088 0.5659 0.5659 0.5672 0.5672 1.3785 1.3785 1.3789 1.3789 6.5246 6.5246 6.5473 6.5473 7.2053 7.2053 7.2110 7.2110 7.4774 7.4774 7.5153 7.5153 8.4676 8.4676 8.4681 8.4681 11.8133 11.8133 11.8224 11.8224 12.3644 12.3687 k =-0.4081 0.4822 1.0120 ( 4572 PWs) bands (ev): -39.6103 -39.6103 -39.6103 -39.6103 -18.6277 -18.6277 -18.6271 -18.6271 -18.1391 -18.1391 -18.1387 -18.1387 -18.1083 -18.1083 -18.1081 -18.1081 0.5324 0.5324 0.5337 0.5337 1.3615 1.3615 1.3619 1.3619 6.5869 6.5869 6.6080 6.6080 7.2497 7.2497 7.2697 7.2697 7.4739 7.4739 7.5234 7.5234 8.5323 8.5323 8.5333 8.5333 11.7304 11.7304 11.7409 11.7409 12.3972 12.4006 k =-0.4142 0.4588 1.0120 ( 4568 PWs) bands (ev): -39.6104 -39.6104 -39.6104 -39.6104 -18.6273 -18.6273 -18.6268 -18.6268 -18.1389 -18.1389 -18.1385 -18.1385 -18.1076 -18.1076 -18.1074 -18.1074 0.5008 0.5008 0.5020 0.5020 1.3453 1.3453 1.3457 1.3457 6.6319 6.6319 6.6501 6.6501 7.2986 7.2986 7.3400 7.3400 7.4761 7.4761 7.5431 7.5431 8.6001 8.6001 8.6030 8.6030 11.6430 11.6430 11.6553 11.6553 12.4289 12.4333 k =-0.4203 0.4354 1.0120 ( 4572 PWs) bands (ev): -39.6105 -39.6105 -39.6105 -39.6105 -18.6270 -18.6270 -18.6265 -18.6265 -18.1387 -18.1387 -18.1384 -18.1384 -18.1069 -18.1069 -18.1068 -18.1068 0.4710 0.4710 0.4721 0.4721 1.3299 1.3299 1.3303 1.3303 6.6616 6.6616 6.6766 6.6766 7.3397 7.3397 7.3964 7.3964 7.5066 7.5066 7.5845 7.5845 8.6713 8.6713 8.6763 8.6763 11.5515 11.5515 11.5657 11.5657 12.4542 12.4571 k =-0.4265 0.4119 1.0120 ( 4568 PWs) bands (ev): -39.6106 -39.6106 -39.6106 -39.6106 -18.6267 -18.6267 -18.6262 -18.6262 -18.1386 -18.1386 -18.1383 -18.1383 -18.1063 -18.1063 -18.1061 -18.1061 0.4432 0.4432 0.4443 0.4443 1.3154 1.3154 1.3158 1.3158 6.6794 6.6794 6.6915 6.6915 7.3642 7.3642 7.4116 7.4116 7.5884 7.5884 7.6525 7.6525 8.7454 8.7454 8.7529 8.7529 11.4560 11.4560 11.4722 11.4722 12.4681 12.4718 k =-0.4326 0.3885 1.0120 ( 4568 PWs) bands (ev): -39.6106 -39.6106 -39.6106 -39.6106 -18.6264 -18.6264 -18.6259 -18.6259 -18.1385 -18.1385 -18.1382 -18.1382 -18.1056 -18.1056 -18.1055 -18.1055 0.4174 0.4174 0.4184 0.4184 1.3019 1.3019 1.3023 1.3023 6.6888 6.6888 6.6984 6.6984 7.3746 7.3746 7.4092 7.4092 7.6936 7.6936 7.7409 7.7409 8.8223 8.8223 8.8327 8.8327 11.3565 11.3565 11.3748 11.3748 12.4689 12.4700 k =-0.4387 0.3651 1.0120 ( 4568 PWs) bands (ev): -39.6107 -39.6107 -39.6107 -39.6107 -18.6261 -18.6261 -18.6257 -18.6257 -18.1384 -18.1384 -18.1381 -18.1381 -18.1050 -18.1050 -18.1049 -18.1049 0.3937 0.3937 0.3946 0.3946 1.2894 1.2894 1.2897 1.2897 6.6926 6.6926 6.7001 6.7001 7.3769 7.3769 7.4026 7.4026 7.8051 7.8051 7.8398 7.8398 8.9023 8.9023 8.9156 8.9156 11.2530 11.2530 11.2735 11.2735 12.4613 12.4614 k =-0.4448 0.3416 1.0120 ( 4552 PWs) bands (ev): -39.6108 -39.6108 -39.6108 -39.6108 -18.6258 -18.6258 -18.6254 -18.6254 -18.1383 -18.1383 -18.1380 -18.1380 -18.1044 -18.1044 -18.1043 -18.1043 0.3721 0.3721 0.3730 0.3730 1.2779 1.2779 1.2782 1.2782 6.6926 6.6926 6.6985 6.6985 7.3753 7.3753 7.3950 7.3950 7.9168 7.9168 7.9421 7.9421 8.9854 8.9854 9.0021 9.0021 11.1458 11.1458 11.1684 11.1684 12.4490 12.4496 k =-0.4510 0.3182 1.0120 ( 4564 PWs) bands (ev): -39.6108 -39.6108 -39.6108 -39.6108 -18.6256 -18.6256 -18.6253 -18.6253 -18.1383 -18.1383 -18.1380 -18.1380 -18.1038 -18.1038 -18.1037 -18.1037 0.3527 0.3527 0.3535 0.3535 1.2676 1.2676 1.2678 1.2678 6.6904 6.6904 6.6950 6.6950 7.3719 7.3719 7.3873 7.3873 8.0249 8.0249 8.0428 8.0428 9.0721 9.0721 9.0921 9.0921 11.0350 11.0350 11.0596 11.0596 12.4346 12.4356 k =-0.4571 0.2948 1.0120 ( 4568 PWs) bands (ev): -39.6109 -39.6109 -39.6109 -39.6109 -18.6254 -18.6254 -18.6251 -18.6251 -18.1382 -18.1382 -18.1380 -18.1380 -18.1033 -18.1033 -18.1033 -18.1033 0.3355 0.3355 0.3362 0.3362 1.2583 1.2583 1.2586 1.2586 6.6869 6.6869 6.6906 6.6906 7.3678 7.3678 7.3799 7.3799 8.1264 8.1264 8.1385 8.1385 9.1628 9.1628 9.1862 9.1862 10.9210 10.9210 10.9476 10.9476 12.4197 12.4206 k =-0.4632 0.2714 1.0120 ( 4576 PWs) bands (ev): -39.6109 -39.6109 -39.6109 -39.6109 -18.6252 -18.6252 -18.6250 -18.6250 -18.1382 -18.1382 -18.1380 -18.1380 -18.1029 -18.1029 -18.1028 -18.1028 0.3205 0.3205 0.3211 0.3211 1.2503 1.2503 1.2505 1.2505 6.6828 6.6828 6.6857 6.6857 7.3637 7.3637 7.3733 7.3733 8.2186 8.2186 8.2262 8.2262 9.2578 9.2578 9.2843 9.2843 10.8045 10.8045 10.8327 10.8327 12.4037 12.4051 k =-0.4694 0.2479 1.0120 ( 4568 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6250 -18.6250 -18.6248 -18.6248 -18.1382 -18.1382 -18.1380 -18.1380 -18.1025 -18.1025 -18.1025 -18.1025 0.3079 0.3079 0.3084 0.3084 1.2434 1.2434 1.2436 1.2436 6.6788 6.6788 6.6810 6.6810 7.3599 7.3599 7.3674 7.3674 8.2996 8.2996 8.3038 8.3038 9.3572 9.3572 9.3861 9.3861 10.6864 10.6864 10.7159 10.7159 12.3889 12.3894 k =-0.4755 0.2245 1.0120 ( 4564 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6249 -18.6249 -18.6247 -18.6247 -18.1381 -18.1381 -18.1380 -18.1380 -18.1022 -18.1022 -18.1021 -18.1021 0.2975 0.2975 0.2979 0.2979 1.2378 1.2378 1.2379 1.2379 6.6750 6.6750 6.6767 6.6767 7.3567 7.3567 7.3624 7.3624 8.3675 8.3675 8.3693 8.3693 9.4600 9.4600 9.4904 9.4904 10.5684 10.5684 10.5986 10.5986 12.3756 12.3766 k =-0.4816 0.2011 1.0120 ( 4562 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6248 -18.6248 -18.6246 -18.6246 -18.1381 -18.1381 -18.1380 -18.1380 -18.1019 -18.1019 -18.1019 -18.1019 0.2894 0.2894 0.2897 0.2897 1.2334 1.2334 1.2335 1.2335 6.6719 6.6719 6.6731 6.6731 7.3542 7.3542 7.3583 7.3583 8.4211 8.4211 8.4215 8.4215 9.5640 9.5640 9.5944 9.5944 10.4537 10.4537 10.4834 10.4834 12.3643 12.3648 k =-0.4877 0.1777 1.0120 ( 4564 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6247 -18.6247 -18.6246 -18.6246 -18.1381 -18.1381 -18.1380 -18.1380 -18.1017 -18.1017 -18.1017 -18.1017 0.2836 0.2836 0.2838 0.2838 1.2302 1.2302 1.2303 1.2303 6.6696 6.6696 6.6704 6.6704 7.3525 7.3525 7.3552 7.3552 8.4594 8.4594 8.4596 8.4596 9.6641 9.6641 9.6916 9.6916 10.3488 10.3488 10.3755 10.3755 12.3563 12.3571 k =-0.4939 0.1542 1.0120 ( 4572 PWs) bands (ev): -39.6110 -39.6110 -39.6110 -39.6110 -18.6246 -18.6246 -18.6246 -18.6246 -18.1381 -18.1381 -18.1381 -18.1381 -18.1016 -18.1016 -18.1016 -18.1016 0.2801 0.2801 0.2802 0.2802 1.2283 1.2283 1.2284 1.2284 6.6683 6.6683 6.6686 6.6686 7.3517 7.3517 7.3530 7.3530 8.4824 8.4824 8.4827 8.4827 9.7484 9.7484 9.7669 9.7669 10.2686 10.2686 10.2867 10.2867 12.3508 12.3512 k =-0.5000 0.1308 1.0120 ( 4572 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1381 -18.1381 -18.1381 -18.1381 -18.1016 -18.1016 -18.1016 -18.1016 0.2790 0.2790 0.2790 0.2790 1.2277 1.2277 1.2277 1.2277 6.6679 6.6679 6.6679 6.6679 7.3519 7.3519 7.3519 7.3519 8.4903 8.4903 8.4903 8.4903 9.7912 9.7912 9.7912 9.7912 10.2427 10.2427 10.2427 10.2427 12.3492 12.3492 k =-0.5000 0.1308 1.0120 ( 4572 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1381 -18.1381 -18.1381 -18.1381 -18.1016 -18.1016 -18.1016 -18.1016 0.2790 0.2790 0.2790 0.2790 1.2277 1.2277 1.2277 1.2277 6.6679 6.6679 6.6679 6.6679 7.3519 7.3519 7.3519 7.3519 8.4903 8.4903 8.4903 8.4903 9.7912 9.7912 9.7912 9.7912 10.2427 10.2427 10.2427 10.2427 12.3492 12.3492 k =-0.5000 0.1308 0.9879 ( 4568 PWs) bands (ev): -39.6112 -39.6112 -39.6109 -39.6109 -18.6249 -18.6249 -18.6242 -18.6242 -18.1385 -18.1385 -18.1375 -18.1375 -18.1018 -18.1018 -18.1013 -18.1013 0.1759 0.1759 0.3788 0.3788 1.1453 1.1453 1.3164 1.3164 6.5777 6.5777 6.7615 6.7615 7.2679 7.2679 7.4373 7.4373 8.4599 8.4599 8.5223 8.5223 9.6985 9.6985 9.8844 9.8844 10.1482 10.1482 10.3387 10.3387 12.3417 12.3429 k =-0.5000 0.1308 0.9638 ( 4564 PWs) bands (ev): -39.6113 -39.6113 -39.6108 -39.6108 -18.6253 -18.6253 -18.6237 -18.6237 -18.1390 -18.1390 -18.1369 -18.1369 -18.1021 -18.1021 -18.1011 -18.1011 0.0720 0.0720 0.4699 0.4699 1.0748 1.0748 1.4087 1.4087 6.4913 6.4913 6.8573 6.8573 7.1864 7.1864 7.5240 7.5240 8.4309 8.4309 8.5560 8.5560 9.6071 9.6071 9.9746 9.9746 10.0585 10.0585 10.4356 10.4356 12.3276 12.3276 k =-0.5000 0.1308 0.9397 ( 4566 PWs) bands (ev): -39.6114 -39.6114 -39.6108 -39.6108 -18.6255 -18.6255 -18.6232 -18.6232 -18.1393 -18.1393 -18.1361 -18.1361 -18.1023 -18.1023 -18.1008 -18.1008 -0.0314 -0.0314 0.5407 0.5407 1.0279 1.0279 1.5030 1.5030 6.4092 6.4092 6.9502 6.9502 7.1124 7.1124 7.6114 7.6114 8.4032 8.4032 8.5914 8.5914 9.5174 9.5174 9.9548 9.9548 10.0804 10.0804 10.5334 10.5334 12.3071 12.3073 k =-0.5000 0.1308 0.9156 ( 4566 PWs) bands (ev): -39.6116 -39.6116 -39.6107 -39.6107 -18.6258 -18.6258 -18.6227 -18.6227 -18.1395 -18.1395 -18.1353 -18.1353 -18.1026 -18.1026 -18.1006 -18.1006 -0.1335 -0.1335 0.5723 0.5723 1.0238 1.0238 1.5984 1.5984 6.3319 6.3319 6.9864 6.9864 7.0993 7.0993 7.6996 7.6996 8.3767 8.3767 8.6288 8.6288 9.4298 9.4298 9.8656 9.8656 10.1729 10.1729 10.6317 10.6317 12.2796 12.2796 k =-0.5000 0.1308 0.8915 ( 4572 PWs) bands (ev): -39.6117 -39.6117 -39.6106 -39.6106 -18.6259 -18.6259 -18.6221 -18.6221 -18.1397 -18.1397 -18.1345 -18.1345 -18.1028 -18.1028 -18.1003 -18.1003 -0.2340 -0.2340 0.5553 0.5553 1.0719 1.0719 1.6940 1.6940 6.2597 6.2597 6.9247 6.9247 7.1884 7.1884 7.7882 7.7882 8.3510 8.3510 8.6680 8.6680 9.3447 9.3447 9.7759 9.7759 10.2668 10.2668 10.7305 10.7305 12.2444 12.2444 k =-0.5000 0.1308 0.8674 ( 4572 PWs) bands (ev): -39.6119 -39.6119 -39.6106 -39.6106 -18.6261 -18.6261 -18.6215 -18.6215 -18.1398 -18.1398 -18.1335 -18.1335 -18.1030 -18.1030 -18.1001 -18.1001 -0.3326 -0.3326 0.5042 0.5042 1.1579 1.1579 1.7892 1.7892 6.1929 6.1929 6.8497 6.8497 7.2947 7.2947 7.8770 7.8770 8.3262 8.3262 8.7093 8.7093 9.2625 9.2625 9.6873 9.6873 10.3603 10.3603 10.8294 10.8294 12.2009 12.2009 k =-0.5000 0.1308 0.8433 ( 4576 PWs) bands (ev): -39.6120 -39.6120 -39.6105 -39.6105 -18.6262 -18.6262 -18.6208 -18.6208 -18.1399 -18.1399 -18.1325 -18.1325 -18.1032 -18.1032 -18.0998 -18.0998 -0.4290 -0.4290 0.4361 0.4361 1.2646 1.2646 1.8835 1.8835 6.1321 6.1321 6.7739 6.7739 7.4057 7.4057 7.9654 7.9654 8.3023 8.3023 8.7526 8.7526 9.1835 9.1835 9.6002 9.6002 10.4525 10.4525 10.9281 10.9281 12.1495 12.1495 k =-0.5000 0.1308 0.8192 ( 4570 PWs) bands (ev): -39.6122 -39.6122 -39.6105 -39.6105 -18.6262 -18.6262 -18.6201 -18.6201 -18.1398 -18.1398 -18.1314 -18.1314 -18.1034 -18.1034 -18.0996 -18.0996 -0.5232 -0.5232 0.3606 0.3606 1.3826 1.3826 1.9763 1.9763 6.0778 6.0778 6.6990 6.6990 7.5194 7.5194 8.0524 8.0524 8.2799 8.2799 8.7981 8.7981 9.1084 9.1084 9.5148 9.5148 10.5430 10.5430 11.0265 11.0265 12.0912 12.0912 k =-0.5000 0.1308 0.7951 ( 4566 PWs) bands (ev): -39.6124 -39.6124 -39.6104 -39.6104 -18.6262 -18.6262 -18.6193 -18.6193 -18.1397 -18.1397 -18.1303 -18.1303 -18.1036 -18.1036 -18.0993 -18.0993 -0.6150 -0.6150 0.2821 0.2821 1.5076 1.5076 2.0671 2.0671 6.0303 6.0303 6.6253 6.6253 7.6351 7.6351 8.1335 8.1335 8.2628 8.2628 8.8457 8.8457 9.0374 9.0374 9.4311 9.4311 10.6313 10.6313 11.1238 11.1238 12.0272 12.0272 k =-0.5000 0.1308 0.7711 ( 4564 PWs) bands (ev): -39.6126 -39.6126 -39.6104 -39.6104 -18.6262 -18.6262 -18.6186 -18.6186 -18.1396 -18.1396 -18.1291 -18.1291 -18.1037 -18.1037 -18.0991 -18.0991 -0.7044 -0.7044 0.2027 0.2027 1.6374 1.6374 2.1551 2.1551 5.9903 5.9903 6.5532 6.5532 7.7522 7.7522 8.1832 8.1832 8.2762 8.2762 8.8955 8.8955 8.9712 8.9712 9.3494 9.3494 10.7169 10.7169 11.2196 11.2196 11.9588 11.9588 k =-0.5000 0.1308 0.7470 ( 4552 PWs) bands (ev): -39.6128 -39.6128 -39.6104 -39.6104 -18.6261 -18.6261 -18.6178 -18.6178 -18.1394 -18.1394 -18.1278 -18.1278 -18.1038 -18.1038 -18.0988 -18.0988 -0.7913 -0.7913 0.1236 0.1236 1.7711 1.7711 2.2400 2.2400 5.9582 5.9582 6.4827 6.4827 7.8698 7.8698 8.1772 8.1772 8.3441 8.3441 8.9101 8.9101 8.9475 8.9475 9.2699 9.2699 10.7995 10.7995 11.3127 11.3127 11.8870 11.8870 k =-0.5000 0.1308 0.7229 ( 4544 PWs) bands (ev): -39.6130 -39.6130 -39.6104 -39.6104 -18.6260 -18.6260 -18.6169 -18.6169 -18.1391 -18.1391 -18.1265 -18.1265 -18.1038 -18.1038 -18.0985 -18.0985 -0.8757 -0.8757 0.0453 0.0453 1.9078 1.9078 2.3210 2.3210 5.9346 5.9346 6.4140 6.4140 7.9853 7.9853 8.1562 8.1562 8.4272 8.4272 8.8547 8.8547 9.0016 9.0016 9.1928 9.1928 10.8786 10.8786 11.4013 11.4013 11.8126 11.8126 k =-0.5000 0.1308 0.6988 ( 4536 PWs) bands (ev): -39.6132 -39.6132 -39.6104 -39.6104 -18.6259 -18.6259 -18.6161 -18.6161 -18.1389 -18.1389 -18.1252 -18.1252 -18.1038 -18.1038 -18.0983 -18.0983 -0.9576 -0.9576 -0.0315 -0.0315 2.0472 2.0472 2.3976 2.3976 5.9200 5.9200 6.3471 6.3471 8.0760 8.0760 8.1546 8.1546 8.5125 8.5125 8.8053 8.8053 9.0568 9.0568 9.1197 9.1197 10.9539 10.9539 11.4817 11.4817 11.7362 11.7362 k =-0.5000 0.1308 0.6747 ( 4534 PWs) bands (ev): -39.6134 -39.6134 -39.6104 -39.6104 -18.6257 -18.6257 -18.6152 -18.6152 -18.1386 -18.1386 -18.1239 -18.1239 -18.1037 -18.1037 -18.0980 -18.0980 -1.0368 -1.0368 -0.1068 -0.1068 2.1890 2.1890 2.4692 2.4692 5.9149 5.9149 6.2822 6.2822 8.0717 8.0717 8.2436 8.2436 8.5975 8.5975 8.7621 8.7621 9.0449 9.0449 9.1194 9.1194 11.0250 11.0250 11.5472 11.5472 11.6584 11.6584 k =-0.5000 0.1308 0.6506 ( 4546 PWs) bands (ev): -39.6136 -39.6136 -39.6104 -39.6104 -18.6255 -18.6255 -18.6144 -18.6144 -18.1383 -18.1383 -18.1226 -18.1226 -18.1036 -18.1036 -18.0977 -18.0977 -1.1135 -1.1135 -0.1802 -0.1802 2.3329 2.3329 2.5353 2.5353 5.9196 5.9196 6.2193 6.2193 8.0389 8.0389 8.3555 8.3555 8.6797 8.6797 8.7265 8.7265 8.9801 8.9801 9.1794 9.1794 11.0916 11.0916 11.5719 11.5719 11.5952 11.5952 k =-0.5000 0.1308 0.6265 ( 4538 PWs) bands (ev): -39.6138 -39.6138 -39.6104 -39.6104 -18.6253 -18.6253 -18.6135 -18.6135 -18.1380 -18.1380 -18.1212 -18.1212 -18.1035 -18.1035 -18.0974 -18.0974 -1.1875 -1.1875 -0.2516 -0.2516 2.4788 2.4788 2.5957 2.5957 5.9342 5.9342 6.1588 6.1588 8.0006 8.0006 8.4635 8.4635 8.6910 8.6910 8.7658 8.7658 8.9234 8.9234 9.2427 9.2427 11.1536 11.1536 11.4958 11.4958 11.6001 11.6001 k =-0.5000 0.1308 0.6024 ( 4538 PWs) bands (ev): -39.6140 -39.6140 -39.6104 -39.6104 -18.6251 -18.6251 -18.6127 -18.6127 -18.1377 -18.1377 -18.1199 -18.1199 -18.1032 -18.1032 -18.0970 -18.0970 -1.2588 -1.2588 -0.3208 -0.3208 2.6264 2.6264 2.6499 2.6499 5.9583 5.9583 6.1015 6.1015 7.9595 7.9595 8.5548 8.5548 8.6657 8.6657 8.8442 8.8442 8.8868 8.8868 9.3084 9.3084 11.2107 11.2107 11.4143 11.4143 11.5846 11.5846 k =-0.5000 0.1308 0.5783 ( 4538 PWs) bands (ev): -39.6142 -39.6142 -39.6105 -39.6105 -18.6249 -18.6249 -18.6118 -18.6118 -18.1374 -18.1374 -18.1187 -18.1187 -18.1029 -18.1029 -18.0966 -18.0966 -1.3275 -1.3275 -0.3879 -0.3879 2.6976 2.6976 2.7757 2.7757 5.9866 5.9866 6.0526 6.0526 7.9164 7.9164 8.6043 8.6043 8.6438 8.6438 8.8908 8.8908 8.9238 8.9238 9.3764 9.3764 11.2613 11.2613 11.3334 11.3334 11.5562 11.5562 k =-0.5000 0.1308 0.5542 ( 4534 PWs) bands (ev): -39.6144 -39.6144 -39.6105 -39.6105 -18.6246 -18.6246 -18.6109 -18.6109 -18.1371 -18.1371 -18.1175 -18.1175 -18.1026 -18.1026 -18.0962 -18.0962 -1.3934 -1.3934 -0.4526 -0.4526 2.7390 2.7390 2.9263 2.9263 5.9742 5.9742 6.0572 6.0572 7.8721 7.8721 8.5967 8.5967 8.6270 8.6270 8.9550 8.9550 8.9973 8.9973 9.4468 9.4468 11.2417 11.2417 11.3169 11.3169 11.5227 11.5227 k =-0.5000 0.1308 0.5301 ( 4542 PWs) bands (ev): -39.6146 -39.6146 -39.6106 -39.6106 -18.6244 -18.6244 -18.6101 -18.6101 -18.1368 -18.1368 -18.1163 -18.1163 -18.1022 -18.1022 -18.0957 -18.0957 -1.4567 -1.4567 -0.5149 -0.5149 2.7742 2.7742 3.0781 3.0781 5.9269 5.9269 6.1092 6.1092 7.8272 7.8272 8.5561 8.5561 8.6156 8.6156 9.0486 9.0486 9.0694 9.0694 9.5194 9.5194 11.1584 11.1584 11.3587 11.3587 11.4884 11.4884 k =-0.5000 0.1308 0.5060 ( 4546 PWs) bands (ev): -39.6148 -39.6148 -39.6106 -39.6106 -18.6241 -18.6241 -18.6093 -18.6093 -18.1366 -18.1366 -18.1153 -18.1153 -18.1017 -18.1017 -18.0951 -18.0951 -1.5172 -1.5172 -0.5748 -0.5748 2.8034 2.8034 3.2310 3.2310 5.8776 5.8776 6.1754 6.1754 7.7822 7.7822 8.5050 8.5050 8.6071 8.6071 9.1287 9.1287 9.1610 9.1610 9.5943 9.5943 11.0723 11.0723 11.3978 11.3978 11.4558 11.4558 k =-0.5000 0.1308 0.4819 ( 4542 PWs) bands (ev): -39.6150 -39.6150 -39.6106 -39.6106 -18.6238 -18.6238 -18.6084 -18.6084 -18.1363 -18.1363 -18.1142 -18.1142 -18.1012 -18.1012 -18.0945 -18.0945 -1.5750 -1.5750 -0.6322 -0.6322 2.8269 2.8269 3.3847 3.3847 5.8298 5.8298 6.2521 6.2521 7.7376 7.7376 8.4506 8.4506 8.6012 8.6012 9.1901 9.1901 9.2687 9.2687 9.6716 9.6716 10.9852 10.9852 11.4258 11.4258 11.4339 11.4339 k =-0.5000 0.1308 0.4578 ( 4542 PWs) bands (ev): -39.6152 -39.6152 -39.6107 -39.6107 -18.6235 -18.6235 -18.6076 -18.6076 -18.1361 -18.1361 -18.1133 -18.1133 -18.1007 -18.1007 -18.0938 -18.0938 -1.6300 -1.6300 -0.6870 -0.6870 2.8452 2.8452 3.5389 3.5389 5.7838 5.7838 6.3381 6.3381 7.6937 7.6937 8.3954 8.3954 8.5975 8.5975 9.2446 9.2446 9.3764 9.3764 9.7511 9.7511 10.8972 10.8972 11.4009 11.4009 11.4653 11.4653 k =-0.5000 0.1308 0.4337 ( 4546 PWs) bands (ev): -39.6154 -39.6154 -39.6107 -39.6107 -18.6233 -18.6233 -18.6069 -18.6069 -18.1360 -18.1360 -18.1125 -18.1125 -18.1001 -18.1001 -18.0930 -18.0930 -1.6823 -1.6823 -0.7393 -0.7393 2.8588 2.8588 3.6935 3.6935 5.7401 5.7401 6.4326 6.4326 7.6509 7.6509 8.3406 8.3406 8.5958 8.5958 9.2922 9.2922 9.4811 9.4811 9.8328 9.8328 10.8088 10.8088 11.3807 11.3807 11.4936 11.4936 k =-0.5000 0.1308 0.4096 ( 4546 PWs) bands (ev): -39.6156 -39.6156 -39.6108 -39.6108 -18.6230 -18.6230 -18.6061 -18.6061 -18.1358 -18.1358 -18.1117 -18.1117 -18.0995 -18.0995 -18.0922 -18.0922 -1.7318 -1.7318 -0.7889 -0.7889 2.8683 2.8683 3.8480 3.8480 5.6987 5.6987 6.5348 6.5348 7.6094 7.6094 8.2867 8.2867 8.5958 8.5958 9.3326 9.3326 9.5810 9.5810 9.9167 9.9167 10.7205 10.7205 11.3660 11.3660 11.5186 11.5186 k =-0.5000 0.1308 0.3855 ( 4544 PWs) bands (ev): -39.6157 -39.6157 -39.6108 -39.6108 -18.6227 -18.6227 -18.6054 -18.6054 -18.1357 -18.1357 -18.1110 -18.1110 -18.0990 -18.0990 -18.0912 -18.0912 -1.7785 -1.7785 -0.8358 -0.8358 2.8742 2.8742 4.0022 4.0022 5.6596 5.6596 6.6439 6.6439 7.5695 7.5695 8.2338 8.2338 8.5972 8.5972 9.3650 9.3650 9.6745 9.6745 10.0027 10.0027 10.6333 10.6333 11.3571 11.3571 11.5408 11.5408 k =-0.5000 0.1308 0.3614 ( 4552 PWs) bands (ev): -39.6159 -39.6159 -39.6109 -39.6109 -18.6225 -18.6225 -18.6047 -18.6047 -18.1356 -18.1356 -18.1104 -18.1104 -18.0984 -18.0984 -18.0903 -18.0903 -1.8225 -1.8225 -0.8801 -0.8801 2.8771 2.8771 4.1555 4.1555 5.6231 5.6231 6.7591 6.7591 7.5315 7.5315 8.1820 8.1820 8.5996 8.5996 9.3891 9.3891 9.7593 9.7593 10.0907 10.0907 10.5486 10.5486 11.3542 11.3542 11.5601 11.5601 k =-0.5000 0.1308 0.3373 ( 4546 PWs) bands (ev): -39.6161 -39.6161 -39.6109 -39.6109 -18.6222 -18.6222 -18.6040 -18.6040 -18.1355 -18.1355 -18.1099 -18.1099 -18.0978 -18.0978 -18.0893 -18.0893 -1.8636 -1.8636 -0.9216 -0.9216 2.8775 2.8775 4.3075 4.3075 5.5892 5.5892 6.8796 6.8796 7.4953 7.4953 8.1313 8.1313 8.6029 8.6029 9.4044 9.4044 9.8325 9.8325 10.1808 10.1808 10.4692 10.4692 11.3573 11.3573 11.5770 11.5770 k =-0.5000 0.1308 0.3132 ( 4546 PWs) bands (ev): -39.6162 -39.6162 -39.6110 -39.6110 -18.6220 -18.6220 -18.6034 -18.6034 -18.1355 -18.1355 -18.1094 -18.1094 -18.0972 -18.0972 -18.0882 -18.0882 -1.9019 -1.9019 -0.9604 -0.9604 2.8759 2.8759 4.4575 4.4575 5.5580 5.5580 7.0046 7.0046 7.4612 7.4612 8.0817 8.0817 8.6068 8.6068 9.4107 9.4107 9.8888 9.8888 10.2728 10.2728 10.3999 10.3999 11.3658 11.3658 11.5916 11.5916 k =-0.5000 0.1308 0.2891 ( 4548 PWs) bands (ev): -39.6164 -39.6164 -39.6110 -39.6110 -18.6218 -18.6218 -18.6028 -18.6028 -18.1355 -18.1355 -18.1090 -18.1090 -18.0967 -18.0967 -18.0872 -18.0872 -1.9374 -1.9374 -0.9964 -0.9964 2.8728 2.8728 4.6046 4.6046 5.5299 5.5299 7.1332 7.1332 7.4293 7.4293 8.0331 8.0331 8.6112 8.6112 9.4080 9.4080 9.9202 9.9202 10.3484 10.3484 10.3674 10.3674 11.3794 11.3794 11.6042 11.6042 k =-0.5000 0.1308 0.2650 ( 4554 PWs) bands (ev): -39.6165 -39.6165 -39.6111 -39.6111 -18.6216 -18.6216 -18.6022 -18.6022 -18.1355 -18.1355 -18.1087 -18.1087 -18.0962 -18.0962 -18.0863 -18.0863 -1.9701 -1.9701 -1.0296 -1.0296 2.8686 2.8686 4.7479 4.7479 5.5053 5.5053 7.2645 7.2645 7.4000 7.4000 7.9854 7.9854 8.6158 8.6158 9.3960 9.3960 9.9187 9.9187 10.3246 10.3246 10.4627 10.4627 11.3973 11.3973 11.6148 11.6148 k =-0.5000 0.1308 0.2410 ( 4550 PWs) bands (ev): -39.6167 -39.6167 -39.6111 -39.6111 -18.6214 -18.6214 -18.6017 -18.6017 -18.1355 -18.1355 -18.1084 -18.1084 -18.0956 -18.0956 -18.0853 -18.0853 -2.0000 -2.0000 -1.0599 -1.0599 2.8636 2.8636 4.8855 4.8855 5.4850 5.4850 7.3682 7.3682 7.4028 7.4028 7.9386 7.9386 8.6206 8.6206 9.3750 9.3750 9.8851 9.8851 10.3272 10.3272 10.5601 10.5601 11.4185 11.4185 11.6237 11.6237 k =-0.5000 0.1308 0.2169 ( 4552 PWs) bands (ev): -39.6168 -39.6168 -39.6112 -39.6112 -18.6212 -18.6212 -18.6013 -18.6013 -18.1355 -18.1355 -18.1081 -18.1081 -18.0951 -18.0951 -18.0844 -18.0844 -2.0271 -2.0271 -1.0875 -1.0875 2.8582 2.8582 5.0149 5.0149 5.4706 5.4706 7.3459 7.3459 7.5352 7.5352 7.8927 7.8927 8.6253 8.6253 9.3450 9.3450 9.8306 9.8306 10.3463 10.3463 10.6591 10.6591 11.4422 11.4422 11.6308 11.6308 k =-0.5000 0.1308 0.1928 ( 4554 PWs) bands (ev): -39.6169 -39.6169 -39.6112 -39.6112 -18.6210 -18.6210 -18.6009 -18.6009 -18.1355 -18.1355 -18.1079 -18.1079 -18.0947 -18.0947 -18.0836 -18.0836 -2.0513 -2.0513 -1.1121 -1.1121 2.8527 2.8527 5.1310 5.1310 5.4661 5.4661 7.3234 7.3234 7.6707 7.6707 7.8479 7.8479 8.6299 8.6299 9.3060 9.3060 9.7666 9.7666 10.3718 10.3718 10.7594 10.7594 11.4672 11.4672 11.6363 11.6363 k =-0.5000 0.1308 0.1687 ( 4556 PWs) bands (ev): -39.6170 -39.6170 -39.6113 -39.6113 -18.6209 -18.6209 -18.6005 -18.6005 -18.1356 -18.1356 -18.1077 -18.1077 -18.0942 -18.0942 -18.0828 -18.0828 -2.0727 -2.0727 -1.1339 -1.1339 2.8473 2.8473 5.2235 5.2235 5.4803 5.4803 7.3031 7.3031 7.7953 7.7953 7.8154 7.8154 8.6342 8.6342 9.2582 9.2582 9.7008 9.7008 10.3977 10.3977 10.8607 10.8607 11.4925 11.4925 11.6399 11.6399 k =-0.5000 0.1308 0.1446 ( 4550 PWs) bands (ev): -39.6171 -39.6171 -39.6113 -39.6113 -18.6207 -18.6207 -18.6002 -18.6002 -18.1356 -18.1356 -18.1076 -18.1076 -18.0938 -18.0938 -18.0822 -18.0822 -2.0912 -2.0912 -1.1528 -1.1528 2.8422 2.8422 5.2795 5.2795 5.5243 5.5243 7.2852 7.2852 7.7611 7.7611 7.9423 7.9423 8.6382 8.6382 9.2016 9.2016 9.6375 9.6375 10.4215 10.4215 10.9627 10.9627 11.5171 11.5171 11.6416 11.6416 k =-0.5000 0.1308 0.1205 ( 4554 PWs) bands (ev): -39.6171 -39.6171 -39.6113 -39.6113 -18.6207 -18.6207 -18.5999 -18.5999 -18.1356 -18.1356 -18.1075 -18.1075 -18.0935 -18.0935 -18.0816 -18.0816 -2.1069 -2.1069 -1.1689 -1.1689 2.8375 2.8375 5.3023 5.3023 5.5928 5.5928 7.2698 7.2698 7.7220 7.7220 8.0750 8.0750 8.6417 8.6417 9.1363 9.1363 9.5798 9.5798 10.4418 10.4418 11.0645 11.0645 11.5399 11.5399 11.6408 11.6408 k =-0.5000 0.1308 0.0964 ( 4548 PWs) bands (ev): -39.6172 -39.6172 -39.6113 -39.6113 -18.6205 -18.6205 -18.5997 -18.5997 -18.1356 -18.1356 -18.1074 -18.1074 -18.0932 -18.0932 -18.0811 -18.0811 -2.1197 -2.1197 -1.1820 -1.1820 2.8336 2.8336 5.3086 5.3086 5.6668 5.6668 7.2569 7.2569 7.6865 7.6865 8.2052 8.2052 8.6447 8.6447 9.0627 9.0627 9.5299 9.5299 10.4584 10.4584 11.1652 11.1652 11.5600 11.5600 11.6365 11.6365 k =-0.5000 0.1308 0.0723 ( 4552 PWs) bands (ev): -39.6172 -39.6172 -39.6113 -39.6113 -18.6205 -18.6205 -18.5995 -18.5995 -18.1357 -18.1357 -18.1073 -18.1073 -18.0930 -18.0930 -18.0807 -18.0807 -2.1297 -2.1297 -1.1922 -1.1922 2.8304 2.8304 5.3088 5.3088 5.7330 5.7330 7.2465 7.2465 7.6563 7.6563 8.3317 8.3317 8.6470 8.6470 8.9808 8.9808 9.4893 9.4893 10.4710 10.4710 11.2631 11.2631 11.5763 11.5763 11.6271 11.6271 k =-0.5000 0.1308 0.0482 ( 4548 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6204 -18.6204 -18.5993 -18.5993 -18.1357 -18.1357 -18.1072 -18.1072 -18.0928 -18.0928 -18.0804 -18.0804 -2.1368 -2.1368 -1.1995 -1.1995 2.8280 2.8280 5.3074 5.3074 5.7845 5.7845 7.2390 7.2390 7.6330 7.6330 8.4536 8.4536 8.6488 8.6488 8.8913 8.8913 9.4595 9.4595 10.4800 10.4800 11.3551 11.3551 11.5867 11.5867 11.6109 11.6109 k =-0.5000 0.1308 0.0241 ( 4544 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6204 -18.6204 -18.5993 -18.5993 -18.1357 -18.1357 -18.1072 -18.1072 -18.0927 -18.0927 -18.0802 -18.0802 -2.1411 -2.1411 -1.2039 -1.2039 2.8266 2.8266 5.3061 5.3061 5.8170 5.8170 7.2343 7.2343 7.6182 7.6182 8.5687 8.5687 8.6499 8.6499 8.7957 8.7957 9.4413 9.4413 10.4853 10.4853 11.4354 11.4354 11.5738 11.5738 11.6018 11.6018 k =-0.5000 0.1308-0.0000 ( 4548 PWs) bands (ev): -39.6173 -39.6173 -39.6114 -39.6114 -18.6204 -18.6204 -18.5992 -18.5992 -18.1357 -18.1357 -18.1072 -18.1072 -18.0927 -18.0927 -18.0802 -18.0802 -2.1425 -2.1425 -1.2054 -1.2054 2.8261 2.8261 5.3056 5.3056 5.8281 5.8281 7.2327 7.2327 7.6131 7.6131 8.6469 8.6469 8.6558 8.6558 8.7185 8.7185 9.4351 9.4351 10.4870 10.4870 11.4803 11.4803 11.5487 11.5487 11.6029 11.6029 k = 0.0000 0.0000 1.0120 ( 4532 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1370 -18.1370 -18.1370 -18.1370 -18.1027 -18.1027 -18.1027 -18.1027 0.0852 0.0852 0.0852 0.0852 1.6753 1.6753 1.6753 1.6753 5.1866 5.1866 5.1867 5.1867 8.3234 8.3234 8.3234 8.3234 9.1585 9.1585 9.1585 9.1585 10.3342 10.3342 10.3342 10.3342 10.8690 10.8690 10.8690 10.8690 11.6413 11.6413 k =-0.0227 0.0059 1.0120 ( 4532 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1370 -18.1370 -18.1370 -18.1370 -18.1027 -18.1027 -18.1027 -18.1027 0.0859 0.0859 0.0859 0.0859 1.6731 1.6731 1.6731 1.6731 5.1914 5.1914 5.1914 5.1914 8.3241 8.3241 8.3241 8.3241 9.1528 9.1528 9.1528 9.1528 10.3309 10.3309 10.3309 10.3309 10.8555 10.8555 10.8555 10.8555 11.6568 11.6568 k =-0.0455 0.0119 1.0120 ( 4544 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1371 -18.1371 -18.1371 -18.1371 -18.1027 -18.1027 -18.1027 -18.1027 0.0882 0.0882 0.0882 0.0882 1.6663 1.6663 1.6663 1.6663 5.2057 5.2057 5.2057 5.2057 8.3260 8.3260 8.3260 8.3260 9.1358 9.1358 9.1358 9.1358 10.3209 10.3209 10.3209 10.3209 10.8186 10.8186 10.8186 10.8186 11.6998 11.6998 k =-0.0682 0.0178 1.0120 ( 4550 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1371 -18.1371 -18.1371 -18.1371 -18.1027 -18.1027 -18.1027 -18.1027 0.0920 0.0920 0.0920 0.0920 1.6552 1.6552 1.6552 1.6552 5.2292 5.2292 5.2293 5.2293 8.3294 8.3294 8.3294 8.3294 9.1073 9.1073 9.1073 9.1073 10.3047 10.3047 10.3047 10.3047 10.7663 10.7663 10.7663 10.7663 11.7619 11.7619 k =-0.0909 0.0238 1.0120 ( 4546 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1371 -18.1371 -18.1371 -18.1371 -18.1026 -18.1026 -18.1026 -18.1026 0.0973 0.0973 0.0973 0.0973 1.6400 1.6400 1.6400 1.6400 5.2619 5.2619 5.2619 5.2619 8.3340 8.3340 8.3340 8.3340 9.0674 9.0674 9.0674 9.0674 10.2830 10.2830 10.2830 10.2830 10.7064 10.7064 10.7064 10.7064 11.8350 11.8350 k =-0.1136 0.0297 1.0120 ( 4550 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1372 -18.1372 -18.1372 -18.1372 -18.1026 -18.1026 -18.1026 -18.1026 0.1040 0.1040 0.1040 0.1040 1.6211 1.6211 1.6211 1.6211 5.3033 5.3033 5.3033 5.3033 8.3399 8.3399 8.3399 8.3399 9.0158 9.0158 9.0158 9.0158 10.2564 10.2564 10.2564 10.2564 10.6447 10.6447 10.6447 10.6447 11.9122 11.9122 k =-0.1364 0.0357 1.0120 ( 4550 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1372 -18.1372 -18.1372 -18.1372 -18.1025 -18.1025 -18.1025 -18.1025 0.1121 0.1121 0.1121 0.1121 1.5989 1.5989 1.5989 1.5989 5.3531 5.3531 5.3531 5.3531 8.3468 8.3468 8.3468 8.3468 8.9527 8.9527 8.9527 8.9527 10.2258 10.2258 10.2258 10.2258 10.5851 10.5851 10.5851 10.5851 11.9887 11.9887 k =-0.1591 0.0416 1.0120 ( 4546 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1373 -18.1373 -18.1373 -18.1373 -18.1024 -18.1024 -18.1024 -18.1024 0.1214 0.1214 0.1214 0.1214 1.5739 1.5739 1.5739 1.5739 5.4108 5.4108 5.4108 5.4108 8.3548 8.3548 8.3548 8.3548 8.8786 8.8786 8.8786 8.8786 10.1923 10.1923 10.1923 10.1923 10.5298 10.5298 10.5298 10.5298 12.0606 12.0606 k =-0.1818 0.0476 1.0120 ( 4546 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6244 -18.6244 -18.6244 -18.6244 -18.1374 -18.1374 -18.1374 -18.1374 -18.1024 -18.1024 -18.1024 -18.1024 0.1319 0.1319 0.1319 0.1319 1.5464 1.5464 1.5464 1.5464 5.4759 5.4759 5.4759 5.4759 8.3636 8.3636 8.3636 8.3636 8.7943 8.7943 8.7944 8.7944 10.1565 10.1565 10.1565 10.1565 10.4802 10.4802 10.4802 10.4802 12.1250 12.1250 k =-0.2045 0.0535 1.0120 ( 4548 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6245 -18.6245 -18.6245 -18.6245 -18.1374 -18.1374 -18.1374 -18.1374 -18.1023 -18.1023 -18.1023 -18.1023 0.1434 0.1434 0.1434 0.1434 1.5172 1.5172 1.5172 1.5172 5.5480 5.5480 5.5480 5.5480 8.3728 8.3728 8.3728 8.3728 8.7011 8.7011 8.7011 8.7011 10.1194 10.1194 10.1194 10.1194 10.4365 10.4365 10.4365 10.4365 12.1801 12.1801 k =-0.2273 0.0595 1.0120 ( 4546 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6245 -18.6245 -18.6245 -18.6245 -18.1375 -18.1375 -18.1375 -18.1375 -18.1022 -18.1022 -18.1022 -18.1022 0.1558 0.1558 0.1558 0.1558 1.4867 1.4867 1.4867 1.4867 5.6263 5.6263 5.6263 5.6263 8.3818 8.3818 8.3818 8.3818 8.6006 8.6006 8.6006 8.6006 10.0816 10.0816 10.0816 10.0816 10.3988 10.3988 10.3988 10.3988 12.2252 12.2252 k =-0.2500 0.0654 1.0120 ( 4554 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6245 -18.6245 -18.6245 -18.6245 -18.1376 -18.1376 -18.1376 -18.1376 -18.1021 -18.1021 -18.1021 -18.1021 0.1690 0.1690 0.1690 0.1690 1.4555 1.4555 1.4555 1.4555 5.7105 5.7105 5.7105 5.7105 8.3869 8.3869 8.3869 8.3869 8.4977 8.4977 8.4977 8.4977 10.0439 10.0439 10.0439 10.0439 10.3667 10.3667 10.3667 10.3667 12.2606 12.2606 k =-0.2727 0.0713 1.0120 ( 4560 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6245 -18.6245 -18.6245 -18.6245 -18.1377 -18.1377 -18.1377 -18.1377 -18.1021 -18.1021 -18.1021 -18.1021 0.1826 0.1826 0.1826 0.1826 1.4241 1.4241 1.4241 1.4241 5.7999 5.7999 5.7999 5.7999 8.3515 8.3515 8.3515 8.3515 8.4299 8.4299 8.4299 8.4299 10.0068 10.0068 10.0068 10.0068 10.3398 10.3398 10.3398 10.3398 12.2875 12.2875 k =-0.2955 0.0773 1.0120 ( 4576 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1377 -18.1377 -18.1377 -18.1377 -18.1020 -18.1020 -18.1020 -18.1020 0.1965 0.1965 0.1965 0.1965 1.3932 1.3932 1.3932 1.3932 5.8938 5.8938 5.8938 5.8938 8.2458 8.2458 8.2458 8.2458 8.4285 8.4285 8.4285 8.4285 9.9710 9.9710 9.9710 9.9710 10.3174 10.3174 10.3174 10.3174 12.3074 12.3074 k =-0.3182 0.0832 1.0120 ( 4576 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1378 -18.1378 -18.1378 -18.1378 -18.1019 -18.1019 -18.1019 -18.1019 0.2103 0.2103 0.2103 0.2103 1.3633 1.3633 1.3633 1.3633 5.9917 5.9917 5.9917 5.9917 8.1269 8.1269 8.1269 8.1269 8.4373 8.4373 8.4373 8.4373 9.9371 9.9371 9.9371 9.9371 10.2989 10.2989 10.2989 10.2989 12.3217 12.3217 k =-0.3409 0.0892 1.0120 ( 4576 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1379 -18.1379 -18.1379 -18.1379 -18.1019 -18.1019 -18.1019 -18.1019 0.2239 0.2239 0.2239 0.2239 1.3350 1.3350 1.3350 1.3350 6.0927 6.0927 6.0927 6.0927 8.0049 8.0049 8.0049 8.0049 8.4474 8.4474 8.4474 8.4474 9.9056 9.9056 9.9056 9.9056 10.2839 10.2839 10.2839 10.2839 12.3318 12.3319 k =-0.3636 0.0951 1.0120 ( 4578 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1379 -18.1379 -18.1379 -18.1379 -18.1018 -18.1018 -18.1018 -18.1018 0.2367 0.2367 0.2367 0.2367 1.3089 1.3089 1.3089 1.3089 6.1957 6.1957 6.1957 6.1957 7.8824 7.8824 7.8824 7.8824 8.4574 8.4574 8.4574 8.4574 9.8770 9.8770 9.8770 9.8770 10.2718 10.2718 10.2718 10.2718 12.3388 12.3388 k =-0.3864 0.1011 1.0120 ( 4574 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1380 -18.1380 -18.1380 -18.1380 -18.1017 -18.1017 -18.1017 -18.1017 0.2485 0.2485 0.2485 0.2485 1.2856 1.2856 1.2856 1.2856 6.2993 6.2993 6.2993 6.2993 7.7617 7.7617 7.7617 7.7617 8.4666 8.4666 8.4666 8.4666 9.8519 9.8519 9.8519 9.8519 10.2622 10.2622 10.2622 10.2622 12.3433 12.3433 k =-0.4091 0.1070 1.0120 ( 4570 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1380 -18.1380 -18.1380 -18.1380 -18.1017 -18.1017 -18.1017 -18.1017 0.2588 0.2588 0.2588 0.2588 1.2656 1.2656 1.2656 1.2656 6.4013 6.4013 6.4013 6.4013 7.6452 7.6452 7.6452 7.6452 8.4747 8.4747 8.4747 8.4747 9.8306 9.8306 9.8306 9.8306 10.2549 10.2549 10.2549 10.2549 12.3461 12.3461 k =-0.4318 0.1130 1.0120 ( 4576 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1380 -18.1380 -18.1380 -18.1380 -18.1017 -18.1017 -18.1017 -18.1017 0.2674 0.2674 0.2674 0.2674 1.2494 1.2494 1.2494 1.2494 6.4980 6.4980 6.4980 6.4980 7.5369 7.5369 7.5369 7.5369 8.4813 8.4813 8.4813 8.4813 9.8136 9.8136 9.8136 9.8136 10.2494 10.2494 10.2494 10.2494 12.3478 12.3478 k =-0.4545 0.1189 1.0120 ( 4576 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1381 -18.1381 -18.1381 -18.1381 -18.1016 -18.1016 -18.1016 -18.1016 0.2737 0.2737 0.2737 0.2737 1.2375 1.2375 1.2375 1.2375 6.5829 6.5829 6.5829 6.5829 7.4437 7.4437 7.4437 7.4437 8.4862 8.4862 8.4862 8.4862 9.8012 9.8012 9.8012 9.8012 10.2456 10.2456 10.2456 10.2456 12.3487 12.3487 k =-0.4773 0.1249 1.0120 ( 4572 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1381 -18.1381 -18.1381 -18.1381 -18.1016 -18.1016 -18.1016 -18.1016 0.2777 0.2777 0.2777 0.2777 1.2302 1.2302 1.2302 1.2302 6.6446 6.6446 6.6446 6.6446 7.3769 7.3769 7.3769 7.3769 8.4893 8.4893 8.4893 8.4893 9.7937 9.7937 9.7937 9.7937 10.2434 10.2434 10.2434 10.2434 12.3491 12.3491 k =-0.5000 0.1308 1.0120 ( 4572 PWs) bands (ev): -39.6111 -39.6111 -39.6111 -39.6111 -18.6246 -18.6246 -18.6246 -18.6246 -18.1381 -18.1381 -18.1381 -18.1381 -18.1016 -18.1016 -18.1016 -18.1016 0.2790 0.2790 0.2790 0.2790 1.2277 1.2277 1.2277 1.2277 6.6679 6.6679 6.6679 6.6679 7.3519 7.3519 7.3519 7.3519 8.4903 8.4903 8.4903 8.4903 9.7912 9.7912 9.7912 9.7912 10.2427 10.2427 10.2427 10.2427 12.3492 12.3492 Writing output data file ScGe2.save init_run : 4.35s CPU 13.61s WALL ( 1 calls) electrons : 1507.50s CPU 1519.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 1507.47s CPU 1519.31s WALL ( 1 calls) v_of_rho : 0.25s CPU 0.93s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.24s CPU 0.54s WALL ( 1 calls) newd : 0.31s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 410 calls) cegterg : 1402.72s CPU 1411.06s WALL ( 1982 calls) Called by sum_band: Called by *egterg: h_psi : 653.03s CPU 673.32s WALL ( 40169 calls) s_psi : 44.91s CPU 46.44s WALL ( 40169 calls) g_psi : 1.33s CPU 1.40s WALL ( 37777 calls) cdiaghg : 522.15s CPU 512.80s WALL ( 38187 calls) cegterg:over : 98.38s CPU 90.57s WALL ( 37777 calls) cegterg:upda : 19.63s CPU 30.12s WALL ( 37777 calls) cegterg:last : 14.53s CPU 16.15s WALL ( 4167 calls) Called by h_psi: h_psi:vloc : 551.01s CPU 570.09s WALL ( 40169 calls) h_psi:vnl : 101.51s CPU 101.78s WALL ( 40169 calls) add_vuspsi : 30.91s CPU 39.50s WALL ( 40169 calls) General routines calbec : 70.46s CPU 62.03s WALL ( 40169 calls) fft : 0.39s CPU 1.31s WALL ( 19 calls) ffts : 0.02s CPU 0.05s WALL ( 4 calls) fftw : 511.53s CPU 524.09s WALL ( 2260904 calls) interpolate : 0.03s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 1.87s WALL ( 820 calls) Parallel routines fft_scatter : 266.26s CPU 274.94s WALL ( 2260927 calls) PWSCF : 26m20.01s CPU 28m31.48s WALL This run was terminated on: 14:12:49 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=