Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 8:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 91 46 13 2801 1008 161 Max 92 47 14 2806 1019 164 Sum 3311 1679 495 100947 36443 5839 bravais-lattice index = 14 lattice parameter (alat) = 14.5355 a.u. unit-cell volume = 741.3961 (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)= 14.535475 celldm(2)= 1.000000 celldm(3)= 0.493510 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.872184 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.872184 0.489178 0.000000 ) a(3) = ( 0.000000 0.000000 0.493510 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.782959 -0.000000 ) b(2) = ( 0.000000 2.044246 -0.000000 ) b(3) = ( 0.000000 0.000000 2.026302 ) PseudoPot. # 1 for Ge read from file: /users/gautes/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: /users/gautes/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 and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 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) = ( 0.0060697 0.0232301 -0.0000000), wk = 0.0024390 k( 3) = ( 0.0121394 0.0464601 -0.0000000), wk = 0.0024390 k( 4) = ( 0.0182092 0.0696902 -0.0000000), wk = 0.0024390 k( 5) = ( 0.0242789 0.0929203 -0.0000000), wk = 0.0024390 k( 6) = ( 0.0303486 0.1161504 -0.0000000), wk = 0.0024390 k( 7) = ( 0.0364183 0.1393804 -0.0000000), wk = 0.0024390 k( 8) = ( 0.0424880 0.1626105 -0.0000000), wk = 0.0024390 k( 9) = ( 0.0485578 0.1858405 -0.0000000), wk = 0.0024390 k( 10) = ( 0.0546275 0.2090706 -0.0000000), wk = 0.0024390 k( 11) = ( 0.0606972 0.2323007 -0.0000000), wk = 0.0024390 k( 12) = ( 0.0667669 0.2555308 -0.0000000), wk = 0.0024390 k( 13) = ( 0.0728367 0.2787608 -0.0000000), wk = 0.0024390 k( 14) = ( 0.0789064 0.3019909 -0.0000000), wk = 0.0024390 k( 15) = ( 0.0849761 0.3252210 -0.0000000), wk = 0.0024390 k( 16) = ( 0.0910458 0.3484511 -0.0000000), wk = 0.0024390 k( 17) = ( 0.0971155 0.3716811 -0.0000000), wk = 0.0024390 k( 18) = ( 0.1031853 0.3949112 -0.0000000), wk = 0.0024390 k( 19) = ( 0.1092550 0.4181412 -0.0000000), wk = 0.0024390 k( 20) = ( 0.1153247 0.4413713 -0.0000000), wk = 0.0024390 k( 21) = ( 0.1213944 0.4646014 -0.0000000), wk = 0.0024390 k( 22) = ( 0.1274642 0.4878315 -0.0000000), wk = 0.0024390 k( 23) = ( 0.1335339 0.5110615 -0.0000000), wk = 0.0024390 k( 24) = ( 0.1396036 0.5342916 -0.0000000), wk = 0.0024390 k( 25) = ( 0.1456733 0.5575216 -0.0000000), wk = 0.0024390 k( 26) = ( 0.1517430 0.5807518 -0.0000000), wk = 0.0024390 k( 27) = ( 0.1578128 0.6039818 -0.0000000), wk = 0.0024390 k( 28) = ( 0.1638825 0.6272119 -0.0000000), wk = 0.0024390 k( 29) = ( 0.1699522 0.6504419 -0.0000000), wk = 0.0024390 k( 30) = ( 0.1760219 0.6736720 -0.0000000), wk = 0.0024390 k( 31) = ( 0.1820917 0.6969021 -0.0000000), wk = 0.0024390 k( 32) = ( 0.1881614 0.7201322 -0.0000000), wk = 0.0024390 k( 33) = ( 0.1942311 0.7433622 -0.0000000), wk = 0.0024390 k( 34) = ( 0.2003008 0.7665923 -0.0000000), wk = 0.0024390 k( 35) = ( 0.2063705 0.7898223 -0.0000000), wk = 0.0024390 k( 36) = ( 0.2124403 0.8130525 -0.0000000), wk = 0.0024390 k( 37) = ( 0.2185100 0.8362825 -0.0000000), wk = 0.0024390 k( 38) = ( 0.2245797 0.8595126 -0.0000000), wk = 0.0024390 k( 39) = ( 0.2306494 0.8827426 -0.0000000), wk = 0.0024390 k( 40) = ( 0.2367191 0.9059727 -0.0000000), wk = 0.0024390 k( 41) = ( 0.2427889 0.9292028 -0.0000000), wk = 0.0024390 k( 42) = ( 0.2488586 0.9524329 -0.0000000), wk = 0.0024390 k( 43) = ( 0.2549283 0.9756629 -0.0000000), wk = 0.0024390 k( 44) = ( 0.2609980 0.9988930 -0.0000000), wk = 0.0024390 k( 45) = ( 0.2670678 1.0221230 -0.0000000), wk = 0.0024390 k( 46) = ( 0.2670678 1.0221230 -0.0000000), wk = 0.0024390 k( 47) = ( 0.2427889 1.0221230 -0.0000000), wk = 0.0024390 k( 48) = ( 0.2185100 1.0221231 -0.0000000), wk = 0.0024390 k( 49) = ( 0.1942311 1.0221231 -0.0000000), wk = 0.0024390 k( 50) = ( 0.1699522 1.0221230 -0.0000000), wk = 0.0024390 k( 51) = ( 0.1456733 1.0221230 -0.0000000), wk = 0.0024390 k( 52) = ( 0.1213944 1.0221231 -0.0000000), wk = 0.0024390 k( 53) = ( 0.0971155 1.0221231 -0.0000000), wk = 0.0024390 k( 54) = ( 0.0728367 1.0221231 -0.0000000), wk = 0.0024390 k( 55) = ( 0.0485578 1.0221230 -0.0000000), wk = 0.0024390 k( 56) = ( 0.0242789 1.0221231 -0.0000000), wk = 0.0024390 k( 57) = ( 0.0000000 1.0221231 -0.0000000), wk = 0.0024390 k( 58) = ( 0.0000000 1.0221231 -0.0000000), wk = 0.0024390 k( 59) = ( 0.0000000 1.0221231 0.0241226), wk = 0.0024390 k( 60) = ( 0.0000000 1.0221231 0.0482453), wk = 0.0024390 k( 61) = ( 0.0000000 1.0221231 0.0723679), wk = 0.0024390 k( 62) = ( 0.0000000 1.0221231 0.0964906), wk = 0.0024390 k( 63) = ( 0.0000000 1.0221231 0.1206132), wk = 0.0024390 k( 64) = ( 0.0000000 1.0221231 0.1447359), wk = 0.0024390 k( 65) = ( 0.0000000 1.0221231 0.1688585), wk = 0.0024390 k( 66) = ( 0.0000000 1.0221231 0.1929812), wk = 0.0024390 k( 67) = ( 0.0000000 1.0221231 0.2171038), wk = 0.0024390 k( 68) = ( 0.0000000 1.0221231 0.2412264), wk = 0.0024390 k( 69) = ( 0.0000000 1.0221231 0.2653491), wk = 0.0024390 k( 70) = ( 0.0000000 1.0221231 0.2894717), wk = 0.0024390 k( 71) = ( 0.0000000 1.0221231 0.3135944), wk = 0.0024390 k( 72) = ( 0.0000000 1.0221231 0.3377170), wk = 0.0024390 k( 73) = ( 0.0000000 1.0221231 0.3618397), wk = 0.0024390 k( 74) = ( 0.0000000 1.0221231 0.3859623), wk = 0.0024390 k( 75) = ( 0.0000000 1.0221231 0.4100849), wk = 0.0024390 k( 76) = ( 0.0000000 1.0221231 0.4342076), wk = 0.0024390 k( 77) = ( 0.0000000 1.0221231 0.4583302), wk = 0.0024390 k( 78) = ( 0.0000000 1.0221231 0.4824529), wk = 0.0024390 k( 79) = ( 0.0000000 1.0221231 0.5065755), wk = 0.0024390 k( 80) = ( 0.0000000 1.0221231 0.5306982), wk = 0.0024390 k( 81) = ( 0.0000000 1.0221231 0.5548208), wk = 0.0024390 k( 82) = ( 0.0000000 1.0221231 0.5789435), wk = 0.0024390 k( 83) = ( 0.0000000 1.0221231 0.6030661), wk = 0.0024390 k( 84) = ( 0.0000000 1.0221231 0.6271887), wk = 0.0024390 k( 85) = ( 0.0000000 1.0221231 0.6513114), wk = 0.0024390 k( 86) = ( 0.0000000 1.0221231 0.6754340), wk = 0.0024390 k( 87) = ( 0.0000000 1.0221231 0.6995567), wk = 0.0024390 k( 88) = ( 0.0000000 1.0221231 0.7236793), wk = 0.0024390 k( 89) = ( 0.0000000 1.0221231 0.7478020), wk = 0.0024390 k( 90) = ( 0.0000000 1.0221231 0.7719246), wk = 0.0024390 k( 91) = ( 0.0000000 1.0221231 0.7960472), wk = 0.0024390 k( 92) = ( 0.0000000 1.0221231 0.8201699), wk = 0.0024390 k( 93) = ( 0.0000000 1.0221231 0.8442925), wk = 0.0024390 k( 94) = ( 0.0000000 1.0221231 0.8684152), wk = 0.0024390 k( 95) = ( 0.0000000 1.0221231 0.8925378), wk = 0.0024390 k( 96) = ( 0.0000000 1.0221231 0.9166605), wk = 0.0024390 k( 97) = ( 0.0000000 1.0221231 0.9407831), wk = 0.0024390 k( 98) = ( 0.0000000 1.0221231 0.9649058), wk = 0.0024390 k( 99) = ( 0.0000000 1.0221231 0.9890284), wk = 0.0024390 k( 100) = ( 0.0000000 1.0221231 1.0131510), wk = 0.0024390 k( 101) = ( 0.0000000 1.0221231 1.0131510), wk = 0.0024390 k( 102) = ( 0.0242789 1.0221231 1.0131510), wk = 0.0024390 k( 103) = ( 0.0485578 1.0221230 1.0131510), wk = 0.0024390 k( 104) = ( 0.0728367 1.0221231 1.0131510), wk = 0.0024390 k( 105) = ( 0.0971155 1.0221231 1.0131510), wk = 0.0024390 k( 106) = ( 0.1213944 1.0221231 1.0131510), wk = 0.0024390 k( 107) = ( 0.1456733 1.0221230 1.0131510), wk = 0.0024390 k( 108) = ( 0.1699522 1.0221230 1.0131510), wk = 0.0024390 k( 109) = ( 0.1942311 1.0221231 1.0131510), wk = 0.0024390 k( 110) = ( 0.2185100 1.0221231 1.0131510), wk = 0.0024390 k( 111) = ( 0.2427889 1.0221230 1.0131510), wk = 0.0024390 k( 112) = ( 0.2670678 1.0221230 1.0131510), wk = 0.0024390 k( 113) = ( 0.2670678 1.0221230 1.0131510), wk = 0.0024390 k( 114) = ( 0.2609980 0.9988930 1.0131510), wk = 0.0024390 k( 115) = ( 0.2549283 0.9756629 1.0131510), wk = 0.0024390 k( 116) = ( 0.2488586 0.9524329 1.0131510), wk = 0.0024390 k( 117) = ( 0.2427889 0.9292028 1.0131510), wk = 0.0024390 k( 118) = ( 0.2367191 0.9059727 1.0131510), wk = 0.0024390 k( 119) = ( 0.2306494 0.8827426 1.0131510), wk = 0.0024390 k( 120) = ( 0.2245797 0.8595126 1.0131510), wk = 0.0024390 k( 121) = ( 0.2185100 0.8362825 1.0131510), wk = 0.0024390 k( 122) = ( 0.2124403 0.8130525 1.0131510), wk = 0.0024390 k( 123) = ( 0.2063705 0.7898223 1.0131510), wk = 0.0024390 k( 124) = ( 0.2003008 0.7665923 1.0131510), wk = 0.0024390 k( 125) = ( 0.1942311 0.7433622 1.0131510), wk = 0.0024390 k( 126) = ( 0.1881614 0.7201322 1.0131510), wk = 0.0024390 k( 127) = ( 0.1820917 0.6969021 1.0131510), wk = 0.0024390 k( 128) = ( 0.1760219 0.6736720 1.0131510), wk = 0.0024390 k( 129) = ( 0.1699522 0.6504419 1.0131510), wk = 0.0024390 k( 130) = ( 0.1638825 0.6272119 1.0131510), wk = 0.0024390 k( 131) = ( 0.1578128 0.6039818 1.0131510), wk = 0.0024390 k( 132) = ( 0.1517430 0.5807518 1.0131510), wk = 0.0024390 k( 133) = ( 0.1456733 0.5575216 1.0131510), wk = 0.0024390 k( 134) = ( 0.1396036 0.5342916 1.0131510), wk = 0.0024390 k( 135) = ( 0.1335339 0.5110615 1.0131510), wk = 0.0024390 k( 136) = ( 0.1274642 0.4878315 1.0131510), wk = 0.0024390 k( 137) = ( 0.1213944 0.4646014 1.0131510), wk = 0.0024390 k( 138) = ( 0.1153247 0.4413713 1.0131510), wk = 0.0024390 k( 139) = ( 0.1092550 0.4181412 1.0131510), wk = 0.0024390 k( 140) = ( 0.1031853 0.3949112 1.0131510), wk = 0.0024390 k( 141) = ( 0.0971155 0.3716811 1.0131510), wk = 0.0024390 k( 142) = ( 0.0910458 0.3484511 1.0131510), wk = 0.0024390 k( 143) = ( 0.0849761 0.3252210 1.0131510), wk = 0.0024390 k( 144) = ( 0.0789064 0.3019909 1.0131510), wk = 0.0024390 k( 145) = ( 0.0728367 0.2787608 1.0131510), wk = 0.0024390 k( 146) = ( 0.0667669 0.2555308 1.0131510), wk = 0.0024390 k( 147) = ( 0.0606972 0.2323007 1.0131510), wk = 0.0024390 k( 148) = ( 0.0546275 0.2090706 1.0131510), wk = 0.0024390 k( 149) = ( 0.0485578 0.1858405 1.0131510), wk = 0.0024390 k( 150) = ( 0.0424880 0.1626105 1.0131510), wk = 0.0024390 k( 151) = ( 0.0364183 0.1393804 1.0131510), wk = 0.0024390 k( 152) = ( 0.0303486 0.1161504 1.0131510), wk = 0.0024390 k( 153) = ( 0.0242789 0.0929203 1.0131510), wk = 0.0024390 k( 154) = ( 0.0182092 0.0696902 1.0131510), wk = 0.0024390 k( 155) = ( 0.0121394 0.0464601 1.0131510), wk = 0.0024390 k( 156) = ( 0.0060697 0.0232301 1.0131510), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 1.0131510), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 1.0131510), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.9890284), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.9649058), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.9407831), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.9166605), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.8925378), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.8684152), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.8442925), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.8201699), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.7960472), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.7719246), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.7478020), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.7236793), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.6995567), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.6754340), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.6513114), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.6271887), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.6030661), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.5789435), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.5548208), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.5306982), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.5065755), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.4824529), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.4583302), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.4342076), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.4100849), wk = 0.0024390 k( 184) = ( 0.0000000 0.0000000 0.3859623), wk = 0.0024390 k( 185) = ( 0.0000000 0.0000000 0.3618397), wk = 0.0024390 k( 186) = ( 0.0000000 0.0000000 0.3377170), wk = 0.0024390 k( 187) = ( 0.0000000 0.0000000 0.3135944), wk = 0.0024390 k( 188) = ( 0.0000000 0.0000000 0.2894717), wk = 0.0024390 k( 189) = ( 0.0000000 0.0000000 0.2653491), wk = 0.0024390 k( 190) = ( 0.0000000 0.0000000 0.2412264), wk = 0.0024390 k( 191) = ( 0.0000000 0.0000000 0.2171038), wk = 0.0024390 k( 192) = ( 0.0000000 0.0000000 0.1929812), wk = 0.0024390 k( 193) = ( 0.0000000 0.0000000 0.1688585), wk = 0.0024390 k( 194) = ( 0.0000000 0.0000000 0.1447359), wk = 0.0024390 k( 195) = ( 0.0000000 0.0000000 0.1206132), wk = 0.0024390 k( 196) = ( 0.0000000 0.0000000 0.0964906), wk = 0.0024390 k( 197) = ( 0.0000000 0.0000000 0.0723679), wk = 0.0024390 k( 198) = ( 0.0000000 0.0000000 0.0482453), wk = 0.0024390 k( 199) = ( 0.0000000 0.0000000 0.0241226), 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 0.0059383 0.0000000), wk = 0.0024390 k( 203) = ( -0.0454546 0.0118767 0.0000000), wk = 0.0024390 k( 204) = ( -0.0681818 0.0178150 0.0000000), wk = 0.0024390 k( 205) = ( -0.0909091 0.0237534 0.0000000), wk = 0.0024390 k( 206) = ( -0.1136364 0.0296917 0.0000000), wk = 0.0024390 k( 207) = ( -0.1363636 0.0356301 0.0000000), wk = 0.0024390 k( 208) = ( -0.1590909 0.0415684 0.0000000), wk = 0.0024390 k( 209) = ( -0.1818182 0.0475068 0.0000000), wk = 0.0024390 k( 210) = ( -0.2045454 0.0534451 0.0000000), wk = 0.0024390 k( 211) = ( -0.2272727 0.0593835 0.0000000), wk = 0.0024390 k( 212) = ( -0.2500000 0.0653218 0.0000000), wk = 0.0024390 k( 213) = ( -0.2727273 0.0712602 0.0000000), wk = 0.0024390 k( 214) = ( -0.2954545 0.0771985 0.0000000), wk = 0.0024390 k( 215) = ( -0.3181818 0.0831369 0.0000000), wk = 0.0024390 k( 216) = ( -0.3409091 0.0890752 0.0000000), wk = 0.0024390 k( 217) = ( -0.3636364 0.0950136 0.0000000), wk = 0.0024390 k( 218) = ( -0.3863636 0.1009519 0.0000000), wk = 0.0024390 k( 219) = ( -0.4090909 0.1068903 0.0000000), wk = 0.0024390 k( 220) = ( -0.4318182 0.1128286 0.0000000), wk = 0.0024390 k( 221) = ( -0.4545455 0.1187669 0.0000000), wk = 0.0024390 k( 222) = ( -0.4772727 0.1247053 0.0000000), wk = 0.0024390 k( 223) = ( -0.5000000 0.1306436 0.0000000), wk = 0.0024390 k( 224) = ( -0.5000000 0.1306436 0.0000000), wk = 0.0024390 k( 225) = ( -0.4938702 0.1541036 -0.0000000), wk = 0.0024390 k( 226) = ( -0.4877404 0.1775636 -0.0000000), wk = 0.0024390 k( 227) = ( -0.4816106 0.2010236 -0.0000000), wk = 0.0024390 k( 228) = ( -0.4754808 0.2244836 -0.0000000), wk = 0.0024390 k( 229) = ( -0.4693510 0.2479436 -0.0000000), wk = 0.0024390 k( 230) = ( -0.4632212 0.2714035 -0.0000000), wk = 0.0024390 k( 231) = ( -0.4570914 0.2948635 -0.0000000), wk = 0.0024390 k( 232) = ( -0.4509616 0.3183235 -0.0000000), wk = 0.0024390 k( 233) = ( -0.4448318 0.3417835 -0.0000000), wk = 0.0024390 k( 234) = ( -0.4387020 0.3652435 -0.0000000), wk = 0.0024390 k( 235) = ( -0.4325722 0.3887035 -0.0000000), wk = 0.0024390 k( 236) = ( -0.4264424 0.4121635 -0.0000000), wk = 0.0024390 k( 237) = ( -0.4203127 0.4356234 -0.0000000), wk = 0.0024390 k( 238) = ( -0.4141829 0.4590834 -0.0000000), wk = 0.0024390 k( 239) = ( -0.4080531 0.4825434 -0.0000000), wk = 0.0024390 k( 240) = ( -0.4019233 0.5060034 -0.0000000), wk = 0.0024390 k( 241) = ( -0.3957935 0.5294634 -0.0000000), wk = 0.0024390 k( 242) = ( -0.3896637 0.5529234 -0.0000000), wk = 0.0024390 k( 243) = ( -0.3835339 0.5763834 -0.0000000), wk = 0.0024390 k( 244) = ( -0.3774041 0.5998433 -0.0000000), wk = 0.0024390 k( 245) = ( -0.3712743 0.6233033 -0.0000000), wk = 0.0024390 k( 246) = ( -0.3651445 0.6467633 -0.0000000), wk = 0.0024390 k( 247) = ( -0.3590147 0.6702233 -0.0000000), wk = 0.0024390 k( 248) = ( -0.3528849 0.6936833 -0.0000000), wk = 0.0024390 k( 249) = ( -0.3467551 0.7171432 -0.0000000), wk = 0.0024390 k( 250) = ( -0.3406253 0.7406032 -0.0000000), wk = 0.0024390 k( 251) = ( -0.3344955 0.7640632 -0.0000000), wk = 0.0024390 k( 252) = ( -0.3283657 0.7875232 -0.0000000), wk = 0.0024390 k( 253) = ( -0.3222359 0.8109832 -0.0000000), wk = 0.0024390 k( 254) = ( -0.3161061 0.8344432 -0.0000000), wk = 0.0024390 k( 255) = ( -0.3099763 0.8579032 -0.0000000), wk = 0.0024390 k( 256) = ( -0.3038465 0.8813631 -0.0000000), wk = 0.0024390 k( 257) = ( -0.2977167 0.9048231 -0.0000000), wk = 0.0024390 k( 258) = ( -0.2915869 0.9282831 -0.0000000), wk = 0.0024390 k( 259) = ( -0.2854571 0.9517431 -0.0000000), wk = 0.0024390 k( 260) = ( -0.2793273 0.9752031 -0.0000000), wk = 0.0024390 k( 261) = ( -0.2731976 0.9986631 -0.0000000), wk = 0.0024390 k( 262) = ( -0.2670678 1.0221231 -0.0000000), wk = 0.0024390 k( 263) = ( -0.2670678 1.0221231 -0.0000000), wk = 0.0024390 k( 264) = ( -0.2670678 1.0221231 0.0241226), wk = 0.0024390 k( 265) = ( -0.2670678 1.0221231 0.0482453), wk = 0.0024390 k( 266) = ( -0.2670678 1.0221231 0.0723679), wk = 0.0024390 k( 267) = ( -0.2670678 1.0221231 0.0964906), wk = 0.0024390 k( 268) = ( -0.2670678 1.0221231 0.1206132), wk = 0.0024390 k( 269) = ( -0.2670678 1.0221231 0.1447359), wk = 0.0024390 k( 270) = ( -0.2670678 1.0221231 0.1688585), wk = 0.0024390 k( 271) = ( -0.2670678 1.0221231 0.1929812), wk = 0.0024390 k( 272) = ( -0.2670678 1.0221231 0.2171038), wk = 0.0024390 k( 273) = ( -0.2670678 1.0221231 0.2412264), wk = 0.0024390 k( 274) = ( -0.2670678 1.0221231 0.2653491), wk = 0.0024390 k( 275) = ( -0.2670678 1.0221231 0.2894717), wk = 0.0024390 k( 276) = ( -0.2670678 1.0221231 0.3135944), wk = 0.0024390 k( 277) = ( -0.2670678 1.0221231 0.3377170), wk = 0.0024390 k( 278) = ( -0.2670678 1.0221231 0.3618397), wk = 0.0024390 k( 279) = ( -0.2670678 1.0221231 0.3859623), wk = 0.0024390 k( 280) = ( -0.2670678 1.0221231 0.4100849), wk = 0.0024390 k( 281) = ( -0.2670678 1.0221231 0.4342076), wk = 0.0024390 k( 282) = ( -0.2670678 1.0221231 0.4583302), wk = 0.0024390 k( 283) = ( -0.2670678 1.0221231 0.4824529), wk = 0.0024390 k( 284) = ( -0.2670678 1.0221231 0.5065755), wk = 0.0024390 k( 285) = ( -0.2670678 1.0221231 0.5306982), wk = 0.0024390 k( 286) = ( -0.2670678 1.0221231 0.5548208), wk = 0.0024390 k( 287) = ( -0.2670678 1.0221231 0.5789435), wk = 0.0024390 k( 288) = ( -0.2670678 1.0221231 0.6030661), wk = 0.0024390 k( 289) = ( -0.2670678 1.0221231 0.6271887), wk = 0.0024390 k( 290) = ( -0.2670678 1.0221231 0.6513114), wk = 0.0024390 k( 291) = ( -0.2670678 1.0221231 0.6754340), wk = 0.0024390 k( 292) = ( -0.2670678 1.0221231 0.6995567), wk = 0.0024390 k( 293) = ( -0.2670678 1.0221231 0.7236793), wk = 0.0024390 k( 294) = ( -0.2670678 1.0221231 0.7478020), wk = 0.0024390 k( 295) = ( -0.2670678 1.0221231 0.7719246), wk = 0.0024390 k( 296) = ( -0.2670678 1.0221231 0.7960472), wk = 0.0024390 k( 297) = ( -0.2670678 1.0221231 0.8201699), wk = 0.0024390 k( 298) = ( -0.2670678 1.0221231 0.8442925), wk = 0.0024390 k( 299) = ( -0.2670678 1.0221231 0.8684152), wk = 0.0024390 k( 300) = ( -0.2670678 1.0221231 0.8925378), wk = 0.0024390 k( 301) = ( -0.2670678 1.0221231 0.9166605), wk = 0.0024390 k( 302) = ( -0.2670678 1.0221231 0.9407831), wk = 0.0024390 k( 303) = ( -0.2670678 1.0221231 0.9649058), wk = 0.0024390 k( 304) = ( -0.2670678 1.0221231 0.9890284), wk = 0.0024390 k( 305) = ( -0.2670678 1.0221231 1.0131510), wk = 0.0024390 k( 306) = ( -0.2670678 1.0221231 1.0131510), wk = 0.0024390 k( 307) = ( -0.2731976 0.9986631 1.0131510), wk = 0.0024390 k( 308) = ( -0.2793273 0.9752031 1.0131510), wk = 0.0024390 k( 309) = ( -0.2854571 0.9517431 1.0131510), wk = 0.0024390 k( 310) = ( -0.2915869 0.9282831 1.0131510), wk = 0.0024390 k( 311) = ( -0.2977167 0.9048231 1.0131510), wk = 0.0024390 k( 312) = ( -0.3038465 0.8813631 1.0131510), wk = 0.0024390 k( 313) = ( -0.3099763 0.8579032 1.0131510), wk = 0.0024390 k( 314) = ( -0.3161061 0.8344432 1.0131510), wk = 0.0024390 k( 315) = ( -0.3222359 0.8109832 1.0131510), wk = 0.0024390 k( 316) = ( -0.3283657 0.7875232 1.0131510), wk = 0.0024390 k( 317) = ( -0.3344955 0.7640632 1.0131510), wk = 0.0024390 k( 318) = ( -0.3406253 0.7406032 1.0131510), wk = 0.0024390 k( 319) = ( -0.3467551 0.7171432 1.0131510), wk = 0.0024390 k( 320) = ( -0.3528849 0.6936833 1.0131510), wk = 0.0024390 k( 321) = ( -0.3590147 0.6702233 1.0131510), wk = 0.0024390 k( 322) = ( -0.3651445 0.6467633 1.0131510), wk = 0.0024390 k( 323) = ( -0.3712743 0.6233033 1.0131510), wk = 0.0024390 k( 324) = ( -0.3774041 0.5998433 1.0131510), wk = 0.0024390 k( 325) = ( -0.3835339 0.5763834 1.0131510), wk = 0.0024390 k( 326) = ( -0.3896637 0.5529234 1.0131510), wk = 0.0024390 k( 327) = ( -0.3957935 0.5294634 1.0131510), wk = 0.0024390 k( 328) = ( -0.4019233 0.5060034 1.0131510), wk = 0.0024390 k( 329) = ( -0.4080531 0.4825434 1.0131510), wk = 0.0024390 k( 330) = ( -0.4141829 0.4590834 1.0131510), wk = 0.0024390 k( 331) = ( -0.4203127 0.4356234 1.0131510), wk = 0.0024390 k( 332) = ( -0.4264424 0.4121635 1.0131510), wk = 0.0024390 k( 333) = ( -0.4325722 0.3887035 1.0131510), wk = 0.0024390 k( 334) = ( -0.4387020 0.3652435 1.0131510), wk = 0.0024390 k( 335) = ( -0.4448318 0.3417835 1.0131510), wk = 0.0024390 k( 336) = ( -0.4509616 0.3183235 1.0131510), wk = 0.0024390 k( 337) = ( -0.4570914 0.2948635 1.0131510), wk = 0.0024390 k( 338) = ( -0.4632212 0.2714035 1.0131510), wk = 0.0024390 k( 339) = ( -0.4693510 0.2479436 1.0131510), wk = 0.0024390 k( 340) = ( -0.4754808 0.2244836 1.0131510), wk = 0.0024390 k( 341) = ( -0.4816106 0.2010236 1.0131510), wk = 0.0024390 k( 342) = ( -0.4877404 0.1775636 1.0131510), wk = 0.0024390 k( 343) = ( -0.4938702 0.1541036 1.0131510), wk = 0.0024390 k( 344) = ( -0.5000000 0.1306436 1.0131510), wk = 0.0024390 k( 345) = ( -0.5000000 0.1306436 1.0131510), wk = 0.0024390 k( 346) = ( -0.5000000 0.1306436 0.9890284), wk = 0.0024390 k( 347) = ( -0.5000000 0.1306436 0.9649058), wk = 0.0024390 k( 348) = ( -0.5000000 0.1306436 0.9407831), wk = 0.0024390 k( 349) = ( -0.5000000 0.1306436 0.9166605), wk = 0.0024390 k( 350) = ( -0.5000000 0.1306436 0.8925378), wk = 0.0024390 k( 351) = ( -0.5000000 0.1306436 0.8684152), wk = 0.0024390 k( 352) = ( -0.5000000 0.1306436 0.8442925), wk = 0.0024390 k( 353) = ( -0.5000000 0.1306436 0.8201699), wk = 0.0024390 k( 354) = ( -0.5000000 0.1306436 0.7960472), wk = 0.0024390 k( 355) = ( -0.5000000 0.1306436 0.7719246), wk = 0.0024390 k( 356) = ( -0.5000000 0.1306436 0.7478020), wk = 0.0024390 k( 357) = ( -0.5000000 0.1306436 0.7236793), wk = 0.0024390 k( 358) = ( -0.5000000 0.1306436 0.6995567), wk = 0.0024390 k( 359) = ( -0.5000000 0.1306436 0.6754340), wk = 0.0024390 k( 360) = ( -0.5000000 0.1306436 0.6513114), wk = 0.0024390 k( 361) = ( -0.5000000 0.1306436 0.6271887), wk = 0.0024390 k( 362) = ( -0.5000000 0.1306436 0.6030661), wk = 0.0024390 k( 363) = ( -0.5000000 0.1306436 0.5789435), wk = 0.0024390 k( 364) = ( -0.5000000 0.1306436 0.5548208), wk = 0.0024390 k( 365) = ( -0.5000000 0.1306436 0.5306982), wk = 0.0024390 k( 366) = ( -0.5000000 0.1306436 0.5065755), wk = 0.0024390 k( 367) = ( -0.5000000 0.1306436 0.4824529), wk = 0.0024390 k( 368) = ( -0.5000000 0.1306436 0.4583302), wk = 0.0024390 k( 369) = ( -0.5000000 0.1306436 0.4342076), wk = 0.0024390 k( 370) = ( -0.5000000 0.1306436 0.4100849), wk = 0.0024390 k( 371) = ( -0.5000000 0.1306436 0.3859623), wk = 0.0024390 k( 372) = ( -0.5000000 0.1306436 0.3618397), wk = 0.0024390 k( 373) = ( -0.5000000 0.1306436 0.3377170), wk = 0.0024390 k( 374) = ( -0.5000000 0.1306436 0.3135944), wk = 0.0024390 k( 375) = ( -0.5000000 0.1306436 0.2894717), wk = 0.0024390 k( 376) = ( -0.5000000 0.1306436 0.2653491), wk = 0.0024390 k( 377) = ( -0.5000000 0.1306436 0.2412264), wk = 0.0024390 k( 378) = ( -0.5000000 0.1306436 0.2171038), wk = 0.0024390 k( 379) = ( -0.5000000 0.1306436 0.1929812), wk = 0.0024390 k( 380) = ( -0.5000000 0.1306436 0.1688585), wk = 0.0024390 k( 381) = ( -0.5000000 0.1306436 0.1447359), wk = 0.0024390 k( 382) = ( -0.5000000 0.1306436 0.1206132), wk = 0.0024390 k( 383) = ( -0.5000000 0.1306436 0.0964906), wk = 0.0024390 k( 384) = ( -0.5000000 0.1306436 0.0723679), wk = 0.0024390 k( 385) = ( -0.5000000 0.1306436 0.0482453), wk = 0.0024390 k( 386) = ( -0.5000000 0.1306436 0.0241226), wk = 0.0024390 k( 387) = ( -0.5000000 0.1306436 0.0000000), wk = 0.0024390 k( 388) = ( 0.0000000 0.0000000 1.0131510), wk = 0.0024390 k( 389) = ( -0.0227273 0.0059383 1.0131510), wk = 0.0024390 k( 390) = ( -0.0454546 0.0118767 1.0131510), wk = 0.0024390 k( 391) = ( -0.0681818 0.0178150 1.0131510), wk = 0.0024390 k( 392) = ( -0.0909091 0.0237534 1.0131510), wk = 0.0024390 k( 393) = ( -0.1136364 0.0296917 1.0131510), wk = 0.0024390 k( 394) = ( -0.1363636 0.0356301 1.0131510), wk = 0.0024390 k( 395) = ( -0.1590909 0.0415684 1.0131510), wk = 0.0024390 k( 396) = ( -0.1818182 0.0475068 1.0131510), wk = 0.0024390 k( 397) = ( -0.2045454 0.0534451 1.0131510), wk = 0.0024390 k( 398) = ( -0.2272727 0.0593835 1.0131510), wk = 0.0024390 k( 399) = ( -0.2500000 0.0653218 1.0131510), wk = 0.0024390 k( 400) = ( -0.2727273 0.0712602 1.0131510), wk = 0.0024390 k( 401) = ( -0.2954545 0.0771985 1.0131510), wk = 0.0024390 k( 402) = ( -0.3181818 0.0831369 1.0131510), wk = 0.0024390 k( 403) = ( -0.3409091 0.0890752 1.0131510), wk = 0.0024390 k( 404) = ( -0.3636364 0.0950136 1.0131510), wk = 0.0024390 k( 405) = ( -0.3863636 0.1009519 1.0131510), wk = 0.0024390 k( 406) = ( -0.4090909 0.1068903 1.0131510), wk = 0.0024390 k( 407) = ( -0.4318182 0.1128286 1.0131510), wk = 0.0024390 k( 408) = ( -0.4545455 0.1187669 1.0131510), wk = 0.0024390 k( 409) = ( -0.4772727 0.1247053 1.0131510), wk = 0.0024390 k( 410) = ( -0.5000000 0.1306436 1.0131510), wk = 0.0024390 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0060697 0.0060697 0.0000000), wk = 0.0024390 k( 3) = ( 0.0121394 0.0121394 0.0000000), wk = 0.0024390 k( 4) = ( 0.0182092 0.0182092 0.0000000), wk = 0.0024390 k( 5) = ( 0.0242789 0.0242789 0.0000000), wk = 0.0024390 k( 6) = ( 0.0303486 0.0303486 0.0000000), wk = 0.0024390 k( 7) = ( 0.0364183 0.0364183 0.0000000), wk = 0.0024390 k( 8) = ( 0.0424880 0.0424881 0.0000000), wk = 0.0024390 k( 9) = ( 0.0485578 0.0485578 0.0000000), wk = 0.0024390 k( 10) = ( 0.0546275 0.0546275 0.0000000), wk = 0.0024390 k( 11) = ( 0.0606972 0.0606972 0.0000000), wk = 0.0024390 k( 12) = ( 0.0667669 0.0667669 0.0000000), wk = 0.0024390 k( 13) = ( 0.0728367 0.0728367 0.0000000), wk = 0.0024390 k( 14) = ( 0.0789064 0.0789064 0.0000000), wk = 0.0024390 k( 15) = ( 0.0849761 0.0849761 0.0000000), wk = 0.0024390 k( 16) = ( 0.0910458 0.0910458 0.0000000), wk = 0.0024390 k( 17) = ( 0.0971155 0.0971155 0.0000000), wk = 0.0024390 k( 18) = ( 0.1031853 0.1031853 -0.0000000), wk = 0.0024390 k( 19) = ( 0.1092550 0.1092550 0.0000000), wk = 0.0024390 k( 20) = ( 0.1153247 0.1153247 0.0000000), wk = 0.0024390 k( 21) = ( 0.1213944 0.1213944 0.0000000), wk = 0.0024390 k( 22) = ( 0.1274642 0.1274642 0.0000000), wk = 0.0024390 k( 23) = ( 0.1335339 0.1335339 0.0000000), wk = 0.0024390 k( 24) = ( 0.1396036 0.1396036 0.0000000), wk = 0.0024390 k( 25) = ( 0.1456733 0.1456733 0.0000000), wk = 0.0024390 k( 26) = ( 0.1517430 0.1517430 0.0000000), wk = 0.0024390 k( 27) = ( 0.1578128 0.1578128 -0.0000000), wk = 0.0024390 k( 28) = ( 0.1638825 0.1638825 0.0000000), wk = 0.0024390 k( 29) = ( 0.1699522 0.1699522 0.0000000), wk = 0.0024390 k( 30) = ( 0.1760219 0.1760219 -0.0000000), wk = 0.0024390 k( 31) = ( 0.1820917 0.1820917 0.0000000), wk = 0.0024390 k( 32) = ( 0.1881614 0.1881614 0.0000000), wk = 0.0024390 k( 33) = ( 0.1942311 0.1942311 0.0000000), wk = 0.0024390 k( 34) = ( 0.2003008 0.2003008 0.0000000), wk = 0.0024390 k( 35) = ( 0.2063705 0.2063705 -0.0000000), wk = 0.0024390 k( 36) = ( 0.2124403 0.2124403 0.0000000), wk = 0.0024390 k( 37) = ( 0.2185100 0.2185100 -0.0000000), wk = 0.0024390 k( 38) = ( 0.2245797 0.2245797 0.0000000), wk = 0.0024390 k( 39) = ( 0.2306494 0.2306494 0.0000000), wk = 0.0024390 k( 40) = ( 0.2367191 0.2367192 0.0000000), wk = 0.0024390 k( 41) = ( 0.2427889 0.2427889 0.0000000), wk = 0.0024390 k( 42) = ( 0.2488586 0.2488586 0.0000000), wk = 0.0024390 k( 43) = ( 0.2549283 0.2549283 0.0000000), wk = 0.0024390 k( 44) = ( 0.2609980 0.2609980 0.0000000), wk = 0.0024390 k( 45) = ( 0.2670678 0.2670678 0.0000000), wk = 0.0024390 k( 46) = ( 0.2670678 0.2670678 0.0000000), wk = 0.0024390 k( 47) = ( 0.2427889 0.2882434 -0.0000000), wk = 0.0024390 k( 48) = ( 0.2185100 0.3094191 -0.0000000), wk = 0.0024390 k( 49) = ( 0.1942311 0.3305947 0.0000000), wk = 0.0024390 k( 50) = ( 0.1699522 0.3517704 -0.0000000), wk = 0.0024390 k( 51) = ( 0.1456733 0.3729460 0.0000000), wk = 0.0024390 k( 52) = ( 0.1213944 0.3941217 -0.0000000), wk = 0.0024390 k( 53) = ( 0.0971155 0.4152974 0.0000000), wk = 0.0024390 k( 54) = ( 0.0728367 0.4364730 0.0000000), wk = 0.0024390 k( 55) = ( 0.0485578 0.4576487 -0.0000000), wk = 0.0024390 k( 56) = ( 0.0242789 0.4788243 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 0.4523810), 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) = ( 0.0242789 0.4788243 0.5000000), wk = 0.0024390 k( 103) = ( 0.0485578 0.4576487 0.5000000), wk = 0.0024390 k( 104) = ( 0.0728367 0.4364730 0.5000000), wk = 0.0024390 k( 105) = ( 0.0971155 0.4152974 0.5000000), wk = 0.0024390 k( 106) = ( 0.1213944 0.3941217 0.5000000), wk = 0.0024390 k( 107) = ( 0.1456733 0.3729460 0.5000000), wk = 0.0024390 k( 108) = ( 0.1699522 0.3517704 0.5000000), wk = 0.0024390 k( 109) = ( 0.1942311 0.3305947 0.5000000), wk = 0.0024390 k( 110) = ( 0.2185100 0.3094191 0.5000000), wk = 0.0024390 k( 111) = ( 0.2427889 0.2882434 0.5000000), wk = 0.0024390 k( 112) = ( 0.2670678 0.2670678 0.5000000), wk = 0.0024390 k( 113) = ( 0.2670678 0.2670678 0.5000000), wk = 0.0024390 k( 114) = ( 0.2609980 0.2609980 0.5000000), wk = 0.0024390 k( 115) = ( 0.2549283 0.2549283 0.5000000), wk = 0.0024390 k( 116) = ( 0.2488586 0.2488586 0.5000000), wk = 0.0024390 k( 117) = ( 0.2427889 0.2427889 0.5000000), wk = 0.0024390 k( 118) = ( 0.2367191 0.2367192 0.5000000), wk = 0.0024390 k( 119) = ( 0.2306494 0.2306494 0.5000000), wk = 0.0024390 k( 120) = ( 0.2245797 0.2245797 0.5000000), wk = 0.0024390 k( 121) = ( 0.2185100 0.2185100 0.5000000), wk = 0.0024390 k( 122) = ( 0.2124403 0.2124403 0.5000000), wk = 0.0024390 k( 123) = ( 0.2063705 0.2063705 0.5000000), wk = 0.0024390 k( 124) = ( 0.2003008 0.2003008 0.5000000), wk = 0.0024390 k( 125) = ( 0.1942311 0.1942311 0.5000000), wk = 0.0024390 k( 126) = ( 0.1881614 0.1881614 0.5000000), wk = 0.0024390 k( 127) = ( 0.1820917 0.1820917 0.5000000), wk = 0.0024390 k( 128) = ( 0.1760219 0.1760219 0.5000000), wk = 0.0024390 k( 129) = ( 0.1699522 0.1699522 0.5000000), wk = 0.0024390 k( 130) = ( 0.1638825 0.1638825 0.5000000), wk = 0.0024390 k( 131) = ( 0.1578128 0.1578128 0.5000000), wk = 0.0024390 k( 132) = ( 0.1517430 0.1517430 0.5000000), wk = 0.0024390 k( 133) = ( 0.1456733 0.1456733 0.5000000), wk = 0.0024390 k( 134) = ( 0.1396036 0.1396036 0.5000000), wk = 0.0024390 k( 135) = ( 0.1335339 0.1335339 0.5000000), wk = 0.0024390 k( 136) = ( 0.1274642 0.1274642 0.5000000), wk = 0.0024390 k( 137) = ( 0.1213944 0.1213944 0.5000000), wk = 0.0024390 k( 138) = ( 0.1153247 0.1153247 0.5000000), wk = 0.0024390 k( 139) = ( 0.1092550 0.1092550 0.5000000), wk = 0.0024390 k( 140) = ( 0.1031853 0.1031853 0.5000000), wk = 0.0024390 k( 141) = ( 0.0971155 0.0971155 0.5000000), wk = 0.0024390 k( 142) = ( 0.0910458 0.0910458 0.5000000), wk = 0.0024390 k( 143) = ( 0.0849761 0.0849761 0.5000000), wk = 0.0024390 k( 144) = ( 0.0789064 0.0789064 0.5000000), wk = 0.0024390 k( 145) = ( 0.0728367 0.0728367 0.5000000), wk = 0.0024390 k( 146) = ( 0.0667669 0.0667669 0.5000000), wk = 0.0024390 k( 147) = ( 0.0606972 0.0606972 0.5000000), wk = 0.0024390 k( 148) = ( 0.0546275 0.0546275 0.5000000), wk = 0.0024390 k( 149) = ( 0.0485578 0.0485578 0.5000000), wk = 0.0024390 k( 150) = ( 0.0424880 0.0424881 0.5000000), wk = 0.0024390 k( 151) = ( 0.0364183 0.0364183 0.5000000), wk = 0.0024390 k( 152) = ( 0.0303486 0.0303486 0.5000000), wk = 0.0024390 k( 153) = ( 0.0242789 0.0242789 0.5000000), wk = 0.0024390 k( 154) = ( 0.0182092 0.0182092 0.5000000), wk = 0.0024390 k( 155) = ( 0.0121394 0.0121394 0.5000000), wk = 0.0024390 k( 156) = ( 0.0060697 0.0060697 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) = ( -0.4938702 0.5061298 -0.0000000), wk = 0.0024390 k( 226) = ( -0.4877404 0.5122596 0.0000000), wk = 0.0024390 k( 227) = ( -0.4816106 0.5183894 -0.0000000), wk = 0.0024390 k( 228) = ( -0.4754808 0.5245192 0.0000000), wk = 0.0024390 k( 229) = ( -0.4693510 0.5306490 -0.0000000), wk = 0.0024390 k( 230) = ( -0.4632212 0.5367788 -0.0000000), wk = 0.0024390 k( 231) = ( -0.4570914 0.5429086 0.0000000), wk = 0.0024390 k( 232) = ( -0.4509616 0.5490384 -0.0000000), wk = 0.0024390 k( 233) = ( -0.4448318 0.5551682 -0.0000000), wk = 0.0024390 k( 234) = ( -0.4387020 0.5612980 0.0000000), wk = 0.0024390 k( 235) = ( -0.4325722 0.5674278 0.0000000), wk = 0.0024390 k( 236) = ( -0.4264424 0.5735575 -0.0000000), wk = 0.0024390 k( 237) = ( -0.4203127 0.5796873 0.0000000), wk = 0.0024390 k( 238) = ( -0.4141829 0.5858171 -0.0000000), wk = 0.0024390 k( 239) = ( -0.4080531 0.5919469 -0.0000000), wk = 0.0024390 k( 240) = ( -0.4019233 0.5980767 0.0000000), wk = 0.0024390 k( 241) = ( -0.3957935 0.6042065 -0.0000000), wk = 0.0024390 k( 242) = ( -0.3896637 0.6103363 0.0000000), wk = 0.0024390 k( 243) = ( -0.3835339 0.6164661 -0.0000000), wk = 0.0024390 k( 244) = ( -0.3774041 0.6225959 -0.0000000), wk = 0.0024390 k( 245) = ( -0.3712743 0.6287257 0.0000000), wk = 0.0024390 k( 246) = ( -0.3651445 0.6348555 0.0000000), wk = 0.0024390 k( 247) = ( -0.3590147 0.6409853 -0.0000000), wk = 0.0024390 k( 248) = ( -0.3528849 0.6471151 -0.0000000), wk = 0.0024390 k( 249) = ( -0.3467551 0.6532449 0.0000000), wk = 0.0024390 k( 250) = ( -0.3406253 0.6593747 0.0000000), wk = 0.0024390 k( 251) = ( -0.3344955 0.6655045 -0.0000000), wk = 0.0024390 k( 252) = ( -0.3283657 0.6716343 0.0000000), wk = 0.0024390 k( 253) = ( -0.3222359 0.6777641 0.0000000), wk = 0.0024390 k( 254) = ( -0.3161061 0.6838939 0.0000000), wk = 0.0024390 k( 255) = ( -0.3099763 0.6900237 0.0000000), wk = 0.0024390 k( 256) = ( -0.3038465 0.6961535 0.0000000), wk = 0.0024390 k( 257) = ( -0.2977167 0.7022833 -0.0000000), wk = 0.0024390 k( 258) = ( -0.2915869 0.7084131 -0.0000000), wk = 0.0024390 k( 259) = ( -0.2854571 0.7145428 -0.0000000), wk = 0.0024390 k( 260) = ( -0.2793273 0.7206727 -0.0000000), wk = 0.0024390 k( 261) = ( -0.2731976 0.7268024 0.0000000), wk = 0.0024390 k( 262) = ( -0.2670678 0.7329322 0.0000000), wk = 0.0024390 k( 263) = ( -0.2670678 0.7329322 0.0000000), wk = 0.0024390 k( 264) = ( -0.2670678 0.7329322 0.0119048), wk = 0.0024390 k( 265) = ( -0.2670678 0.7329322 0.0238095), wk = 0.0024390 k( 266) = ( -0.2670678 0.7329322 0.0357143), wk = 0.0024390 k( 267) = ( -0.2670678 0.7329322 0.0476191), wk = 0.0024390 k( 268) = ( -0.2670678 0.7329322 0.0595238), wk = 0.0024390 k( 269) = ( -0.2670678 0.7329322 0.0714286), wk = 0.0024390 k( 270) = ( -0.2670678 0.7329322 0.0833333), wk = 0.0024390 k( 271) = ( -0.2670678 0.7329322 0.0952381), wk = 0.0024390 k( 272) = ( -0.2670678 0.7329322 0.1071429), wk = 0.0024390 k( 273) = ( -0.2670678 0.7329322 0.1190476), wk = 0.0024390 k( 274) = ( -0.2670678 0.7329322 0.1309524), wk = 0.0024390 k( 275) = ( -0.2670678 0.7329322 0.1428571), wk = 0.0024390 k( 276) = ( -0.2670678 0.7329322 0.1547619), wk = 0.0024390 k( 277) = ( -0.2670678 0.7329322 0.1666667), wk = 0.0024390 k( 278) = ( -0.2670678 0.7329322 0.1785714), wk = 0.0024390 k( 279) = ( -0.2670678 0.7329322 0.1904762), wk = 0.0024390 k( 280) = ( -0.2670678 0.7329322 0.2023810), wk = 0.0024390 k( 281) = ( -0.2670678 0.7329322 0.2142857), wk = 0.0024390 k( 282) = ( -0.2670678 0.7329322 0.2261905), wk = 0.0024390 k( 283) = ( -0.2670678 0.7329322 0.2380952), wk = 0.0024390 k( 284) = ( -0.2670678 0.7329322 0.2500000), wk = 0.0024390 k( 285) = ( -0.2670678 0.7329322 0.2619048), wk = 0.0024390 k( 286) = ( -0.2670678 0.7329322 0.2738095), wk = 0.0024390 k( 287) = ( -0.2670678 0.7329322 0.2857143), wk = 0.0024390 k( 288) = ( -0.2670678 0.7329322 0.2976190), wk = 0.0024390 k( 289) = ( -0.2670678 0.7329322 0.3095238), wk = 0.0024390 k( 290) = ( -0.2670678 0.7329322 0.3214286), wk = 0.0024390 k( 291) = ( -0.2670678 0.7329322 0.3333333), wk = 0.0024390 k( 292) = ( -0.2670678 0.7329322 0.3452381), wk = 0.0024390 k( 293) = ( -0.2670678 0.7329322 0.3571429), wk = 0.0024390 k( 294) = ( -0.2670678 0.7329322 0.3690476), wk = 0.0024390 k( 295) = ( -0.2670678 0.7329322 0.3809524), wk = 0.0024390 k( 296) = ( -0.2670678 0.7329322 0.3928571), wk = 0.0024390 k( 297) = ( -0.2670678 0.7329322 0.4047619), wk = 0.0024390 k( 298) = ( -0.2670678 0.7329322 0.4166667), wk = 0.0024390 k( 299) = ( -0.2670678 0.7329322 0.4285714), wk = 0.0024390 k( 300) = ( -0.2670678 0.7329322 0.4404762), wk = 0.0024390 k( 301) = ( -0.2670678 0.7329322 0.4523810), wk = 0.0024390 k( 302) = ( -0.2670678 0.7329322 0.4642857), wk = 0.0024390 k( 303) = ( -0.2670678 0.7329322 0.4761905), wk = 0.0024390 k( 304) = ( -0.2670678 0.7329322 0.4880952), wk = 0.0024390 k( 305) = ( -0.2670678 0.7329322 0.5000000), wk = 0.0024390 k( 306) = ( -0.2670678 0.7329322 0.5000000), wk = 0.0024390 k( 307) = ( -0.2731976 0.7268024 0.5000000), wk = 0.0024390 k( 308) = ( -0.2793273 0.7206727 0.5000000), wk = 0.0024390 k( 309) = ( -0.2854571 0.7145428 0.5000000), wk = 0.0024390 k( 310) = ( -0.2915869 0.7084131 0.5000000), wk = 0.0024390 k( 311) = ( -0.2977167 0.7022833 0.5000000), wk = 0.0024390 k( 312) = ( -0.3038465 0.6961535 0.5000000), wk = 0.0024390 k( 313) = ( -0.3099763 0.6900237 0.5000000), wk = 0.0024390 k( 314) = ( -0.3161061 0.6838939 0.5000000), wk = 0.0024390 k( 315) = ( -0.3222359 0.6777641 0.5000000), wk = 0.0024390 k( 316) = ( -0.3283657 0.6716343 0.5000000), wk = 0.0024390 k( 317) = ( -0.3344955 0.6655045 0.5000000), wk = 0.0024390 k( 318) = ( -0.3406253 0.6593747 0.5000000), wk = 0.0024390 k( 319) = ( -0.3467551 0.6532449 0.5000000), wk = 0.0024390 k( 320) = ( -0.3528849 0.6471151 0.5000000), wk = 0.0024390 k( 321) = ( -0.3590147 0.6409853 0.5000000), wk = 0.0024390 k( 322) = ( -0.3651445 0.6348555 0.5000000), wk = 0.0024390 k( 323) = ( -0.3712743 0.6287257 0.5000000), wk = 0.0024390 k( 324) = ( -0.3774041 0.6225959 0.5000000), wk = 0.0024390 k( 325) = ( -0.3835339 0.6164661 0.5000000), wk = 0.0024390 k( 326) = ( -0.3896637 0.6103363 0.5000000), wk = 0.0024390 k( 327) = ( -0.3957935 0.6042065 0.5000000), wk = 0.0024390 k( 328) = ( -0.4019233 0.5980767 0.5000000), wk = 0.0024390 k( 329) = ( -0.4080531 0.5919469 0.5000000), wk = 0.0024390 k( 330) = ( -0.4141829 0.5858171 0.5000000), wk = 0.0024390 k( 331) = ( -0.4203127 0.5796873 0.5000000), wk = 0.0024390 k( 332) = ( -0.4264424 0.5735575 0.5000000), wk = 0.0024390 k( 333) = ( -0.4325722 0.5674278 0.5000000), wk = 0.0024390 k( 334) = ( -0.4387020 0.5612980 0.5000000), wk = 0.0024390 k( 335) = ( -0.4448318 0.5551682 0.5000000), wk = 0.0024390 k( 336) = ( -0.4509616 0.5490384 0.5000000), wk = 0.0024390 k( 337) = ( -0.4570914 0.5429086 0.5000000), wk = 0.0024390 k( 338) = ( -0.4632212 0.5367788 0.5000000), wk = 0.0024390 k( 339) = ( -0.4693510 0.5306490 0.5000000), wk = 0.0024390 k( 340) = ( -0.4754808 0.5245192 0.5000000), wk = 0.0024390 k( 341) = ( -0.4816106 0.5183894 0.5000000), wk = 0.0024390 k( 342) = ( -0.4877404 0.5122596 0.5000000), wk = 0.0024390 k( 343) = ( -0.4938702 0.5061298 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: 100947 G-vectors FFT dimensions: ( 96, 96, 45) Smooth grid: 36443 G-vectors FFT dimensions: ( 72, 72, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 262, 46) NL pseudopotentials 0.25 Mb ( 131, 124) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.02 Mb ( 2806) G-vector shells 0.01 Mb ( 1431) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 262, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) 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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.8 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.4 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.0 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.9 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 14.7 secs Computing kpt #: 10 total cpu time spent up to now is 16.1 secs Computing kpt #: 11 total cpu time spent up to now is 17.2 secs Computing kpt #: 12 total cpu time spent up to now is 18.2 secs Computing kpt #: 13 total cpu time spent up to now is 19.3 secs Computing kpt #: 14 total cpu time spent up to now is 20.9 secs Computing kpt #: 15 total cpu time spent up to now is 22.3 secs Computing kpt #: 16 total cpu time spent up to now is 23.7 secs Computing kpt #: 17 total cpu time spent up to now is 25.0 secs Computing kpt #: 18 total cpu time spent up to now is 26.2 secs Computing kpt #: 19 total cpu time spent up to now is 27.7 secs Computing kpt #: 20 total cpu time spent up to now is 28.9 secs Computing kpt #: 21 total cpu time spent up to now is 30.0 secs Computing kpt #: 22 total cpu time spent up to now is 31.2 secs Computing kpt #: 23 total cpu time spent up to now is 32.1 secs Computing kpt #: 24 total cpu time spent up to now is 32.9 secs Computing kpt #: 25 total cpu time spent up to now is 33.7 secs Computing kpt #: 26 total cpu time spent up to now is 34.6 secs Computing kpt #: 27 total cpu time spent up to now is 35.4 secs Computing kpt #: 28 total cpu time spent up to now is 36.3 secs Computing kpt #: 29 total cpu time spent up to now is 37.2 secs Computing kpt #: 30 total cpu time spent up to now is 38.2 secs Computing kpt #: 31 total cpu time spent up to now is 39.5 secs Computing kpt #: 32 total cpu time spent up to now is 40.9 secs Computing kpt #: 33 total cpu time spent up to now is 41.8 secs Computing kpt #: 34 total cpu time spent up to now is 42.6 secs Computing kpt #: 35 total cpu time spent up to now is 43.3 secs Computing kpt #: 36 total cpu time spent up to now is 44.1 secs Computing kpt #: 37 total cpu time spent up to now is 44.8 secs Computing kpt #: 38 total cpu time spent up to now is 45.6 secs Computing kpt #: 39 total cpu time spent up to now is 46.4 secs Computing kpt #: 40 total cpu time spent up to now is 47.3 secs Computing kpt #: 41 total cpu time spent up to now is 48.4 secs Computing kpt #: 42 total cpu time spent up to now is 49.5 secs Computing kpt #: 43 total cpu time spent up to now is 50.6 secs Computing kpt #: 44 total cpu time spent up to now is 51.5 secs Computing kpt #: 45 total cpu time spent up to now is 52.3 secs Computing kpt #: 46 total cpu time spent up to now is 53.1 secs Computing kpt #: 47 total cpu time spent up to now is 53.9 secs Computing kpt #: 48 total cpu time spent up to now is 54.7 secs Computing kpt #: 49 total cpu time spent up to now is 55.5 secs Computing kpt #: 50 total cpu time spent up to now is 56.4 secs Computing kpt #: 51 total cpu time spent up to now is 57.3 secs Computing kpt #: 52 total cpu time spent up to now is 58.2 secs Computing kpt #: 53 total cpu time spent up to now is 59.2 secs Computing kpt #: 54 total cpu time spent up to now is 60.1 secs Computing kpt #: 55 total cpu time spent up to now is 61.0 secs Computing kpt #: 56 total cpu time spent up to now is 61.9 secs Computing kpt #: 57 total cpu time spent up to now is 62.8 secs Computing kpt #: 58 total cpu time spent up to now is 63.6 secs Computing kpt #: 59 total cpu time spent up to now is 64.5 secs Computing kpt #: 60 total cpu time spent up to now is 65.4 secs Computing kpt #: 61 total cpu time spent up to now is 66.2 secs Computing kpt #: 62 total cpu time spent up to now is 67.1 secs Computing kpt #: 63 total cpu time spent up to now is 67.9 secs Computing kpt #: 64 total cpu time spent up to now is 68.8 secs Computing kpt #: 65 total cpu time spent up to now is 69.7 secs Computing kpt #: 66 total cpu time spent up to now is 70.8 secs Computing kpt #: 67 total cpu time spent up to now is 71.8 secs Computing kpt #: 68 total cpu time spent up to now is 72.7 secs Computing kpt #: 69 total cpu time spent up to now is 73.7 secs Computing kpt #: 70 total cpu time spent up to now is 74.6 secs Computing kpt #: 71 total cpu time spent up to now is 75.7 secs Computing kpt #: 72 total cpu time spent up to now is 76.9 secs Computing kpt #: 73 total cpu time spent up to now is 78.1 secs Computing kpt #: 74 total cpu time spent up to now is 79.2 secs Computing kpt #: 75 total cpu time spent up to now is 80.4 secs Computing kpt #: 76 total cpu time spent up to now is 81.6 secs Computing kpt #: 77 total cpu time spent up to now is 82.8 secs Computing kpt #: 78 total cpu time spent up to now is 84.1 secs Computing kpt #: 79 total cpu time spent up to now is 85.4 secs Computing kpt #: 80 total cpu time spent up to now is 86.4 secs Computing kpt #: 81 total cpu time spent up to now is 87.5 secs Computing kpt #: 82 total cpu time spent up to now is 88.8 secs Computing kpt #: 83 total cpu time spent up to now is 89.8 secs Computing kpt #: 84 total cpu time spent up to now is 91.0 secs Computing kpt #: 85 total cpu time spent up to now is 92.3 secs Computing kpt #: 86 total cpu time spent up to now is 93.3 secs Computing kpt #: 87 total cpu time spent up to now is 94.5 secs Computing kpt #: 88 total cpu time spent up to now is 95.7 secs Computing kpt #: 89 total cpu time spent up to now is 96.8 secs Computing kpt #: 90 total cpu time spent up to now is 98.0 secs Computing kpt #: 91 total cpu time spent up to now is 99.1 secs Computing kpt #: 92 total cpu time spent up to now is 100.3 secs Computing kpt #: 93 total cpu time spent up to now is 101.5 secs Computing kpt #: 94 total cpu time spent up to now is 102.9 secs Computing kpt #: 95 total cpu time spent up to now is 104.2 secs Computing kpt #: 96 total cpu time spent up to now is 105.4 secs Computing kpt #: 97 total cpu time spent up to now is 106.8 secs Computing kpt #: 98 total cpu time spent up to now is 109.4 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.0 secs Computing kpt #: 100 total cpu time spent up to now is 112.0 secs Computing kpt #: 101 total cpu time spent up to now is 113.0 secs Computing kpt #: 102 total cpu time spent up to now is 114.1 secs Computing kpt #: 103 total cpu time spent up to now is 115.5 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.5 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.1 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.7 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.0 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.1 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.6 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.2 secs Computing kpt #: 115 total cpu time spent up to now is 134.2 secs Computing kpt #: 116 total cpu time spent up to now is 135.4 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.9 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.5 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.5 secs Computing kpt #: 121 total cpu time spent up to now is 142.5 secs Computing kpt #: 122 total cpu time spent up to now is 143.4 secs Computing kpt #: 123 total cpu time spent up to now is 144.3 secs Computing kpt #: 124 total cpu time spent up to now is 145.1 secs Computing kpt #: 125 total cpu time spent up to now is 145.9 secs Computing kpt #: 126 total cpu time spent up to now is 146.7 secs Computing kpt #: 127 total cpu time spent up to now is 147.4 secs Computing kpt #: 128 total cpu time spent up to now is 148.1 secs Computing kpt #: 129 total cpu time spent up to now is 148.8 secs Computing kpt #: 130 total cpu time spent up to now is 149.4 secs Computing kpt #: 131 total cpu time spent up to now is 150.2 secs Computing kpt #: 132 total cpu time spent up to now is 150.9 secs Computing kpt #: 133 total cpu time spent up to now is 151.6 secs Computing kpt #: 134 total cpu time spent up to now is 152.3 secs Computing kpt #: 135 total cpu time spent up to now is 152.9 secs Computing kpt #: 136 total cpu time spent up to now is 153.5 secs Computing kpt #: 137 total cpu time spent up to now is 154.1 secs Computing kpt #: 138 total cpu time spent up to now is 154.7 secs Computing kpt #: 139 total cpu time spent up to now is 155.5 secs Computing kpt #: 140 total cpu time spent up to now is 156.3 secs Computing kpt #: 141 total cpu time spent up to now is 157.0 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.4 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.8 secs Computing kpt #: 146 total cpu time spent up to now is 163.8 secs Computing kpt #: 147 total cpu time spent up to now is 165.5 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 167.0 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.5 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.0 secs Computing kpt #: 151 total cpu time spent up to now is 171.1 secs Computing kpt #: 152 total cpu time spent up to now is 171.9 secs Computing kpt #: 153 total cpu time spent up to now is 172.6 secs Computing kpt #: 154 total cpu time spent up to now is 173.3 secs Computing kpt #: 155 total cpu time spent up to now is 174.0 secs Computing kpt #: 156 total cpu time spent up to now is 174.7 secs Computing kpt #: 157 total cpu time spent up to now is 175.4 secs Computing kpt #: 158 total cpu time spent up to now is 176.1 secs Computing kpt #: 159 total cpu time spent up to now is 176.8 secs Computing kpt #: 160 total cpu time spent up to now is 177.5 secs Computing kpt #: 161 total cpu time spent up to now is 178.1 secs Computing kpt #: 162 total cpu time spent up to now is 178.7 secs Computing kpt #: 163 total cpu time spent up to now is 179.3 secs Computing kpt #: 164 total cpu time spent up to now is 179.8 secs Computing kpt #: 165 total cpu time spent up to now is 180.4 secs Computing kpt #: 166 total cpu time spent up to now is 181.0 secs Computing kpt #: 167 total cpu time spent up to now is 181.6 secs Computing kpt #: 168 total cpu time spent up to now is 182.3 secs Computing kpt #: 169 total cpu time spent up to now is 183.0 secs Computing kpt #: 170 total cpu time spent up to now is 183.9 secs Computing kpt #: 171 total cpu time spent up to now is 185.2 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.2 secs Computing kpt #: 174 total cpu time spent up to now is 189.7 secs Computing kpt #: 175 total cpu time spent up to now is 190.9 secs Computing kpt #: 176 total cpu time spent up to now is 192.2 secs Computing kpt #: 177 total cpu time spent up to now is 193.3 secs Computing kpt #: 178 total cpu time spent up to now is 194.3 secs Computing kpt #: 179 total cpu time spent up to now is 195.4 secs Computing kpt #: 180 total cpu time spent up to now is 196.4 secs Computing kpt #: 181 total cpu time spent up to now is 197.4 secs Computing kpt #: 182 total cpu time spent up to now is 198.2 secs Computing kpt #: 183 total cpu time spent up to now is 199.0 secs Computing kpt #: 184 total cpu time spent up to now is 199.8 secs Computing kpt #: 185 total cpu time spent up to now is 200.6 secs Computing kpt #: 186 total cpu time spent up to now is 201.4 secs Computing kpt #: 187 total cpu time spent up to now is 202.2 secs Computing kpt #: 188 total cpu time spent up to now is 203.0 secs Computing kpt #: 189 total cpu time spent up to now is 203.8 secs Computing kpt #: 190 total cpu time spent up to now is 204.6 secs Computing kpt #: 191 total cpu time spent up to now is 205.3 secs Computing kpt #: 192 total cpu time spent up to now is 206.0 secs Computing kpt #: 193 total cpu time spent up to now is 206.8 secs Computing kpt #: 194 total cpu time spent up to now is 207.5 secs Computing kpt #: 195 total cpu time spent up to now is 208.3 secs Computing kpt #: 196 total cpu time spent up to now is 209.1 secs Computing kpt #: 197 total cpu time spent up to now is 210.0 secs Computing kpt #: 198 total cpu time spent up to now is 210.9 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.5 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.1 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.6 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.2 secs Computing kpt #: 203 total cpu time spent up to now is 218.5 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.2 secs Computing kpt #: 205 total cpu time spent up to now is 221.6 secs Computing kpt #: 206 total cpu time spent up to now is 223.1 secs Computing kpt #: 207 total cpu time spent up to now is 224.5 secs Computing kpt #: 208 total cpu time spent up to now is 225.6 secs Computing kpt #: 209 total cpu time spent up to now is 226.6 secs Computing kpt #: 210 total cpu time spent up to now is 228.0 secs Computing kpt #: 211 total cpu time spent up to now is 229.0 secs Computing kpt #: 212 total cpu time spent up to now is 230.2 secs Computing kpt #: 213 total cpu time spent up to now is 231.6 secs Computing kpt #: 214 total cpu time spent up to now is 232.9 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 234.5 secs Computing kpt #: 216 total cpu time spent up to now is 235.8 secs Computing kpt #: 217 total cpu time spent up to now is 237.2 secs Computing kpt #: 218 total cpu time spent up to now is 238.2 secs Computing kpt #: 219 total cpu time spent up to now is 239.2 secs Computing kpt #: 220 total cpu time spent up to now is 240.3 secs Computing kpt #: 221 total cpu time spent up to now is 241.2 secs Computing kpt #: 222 total cpu time spent up to now is 242.1 secs Computing kpt #: 223 total cpu time spent up to now is 243.0 secs Computing kpt #: 224 total cpu time spent up to now is 243.9 secs Computing kpt #: 225 total cpu time spent up to now is 244.8 secs Computing kpt #: 226 total cpu time spent up to now is 245.8 secs Computing kpt #: 227 total cpu time spent up to now is 246.8 secs Computing kpt #: 228 total cpu time spent up to now is 247.6 secs Computing kpt #: 229 total cpu time spent up to now is 248.3 secs Computing kpt #: 230 total cpu time spent up to now is 249.1 secs Computing kpt #: 231 total cpu time spent up to now is 249.9 secs Computing kpt #: 232 total cpu time spent up to now is 250.7 secs Computing kpt #: 233 total cpu time spent up to now is 251.5 secs Computing kpt #: 234 total cpu time spent up to now is 252.4 secs Computing kpt #: 235 total cpu time spent up to now is 253.4 secs Computing kpt #: 236 total cpu time spent up to now is 254.3 secs Computing kpt #: 237 total cpu time spent up to now is 255.5 secs Computing kpt #: 238 total cpu time spent up to now is 256.3 secs Computing kpt #: 239 total cpu time spent up to now is 257.0 secs Computing kpt #: 240 total cpu time spent up to now is 257.6 secs Computing kpt #: 241 total cpu time spent up to now is 258.3 secs Computing kpt #: 242 total cpu time spent up to now is 258.8 secs Computing kpt #: 243 total cpu time spent up to now is 259.4 secs Computing kpt #: 244 total cpu time spent up to now is 260.0 secs Computing kpt #: 245 total cpu time spent up to now is 260.5 secs Computing kpt #: 246 total cpu time spent up to now is 261.1 secs Computing kpt #: 247 total cpu time spent up to now is 261.6 secs Computing kpt #: 248 total cpu time spent up to now is 262.0 secs Computing kpt #: 249 total cpu time spent up to now is 262.5 secs Computing kpt #: 250 total cpu time spent up to now is 263.1 secs Computing kpt #: 251 total cpu time spent up to now is 263.6 secs Computing kpt #: 252 total cpu time spent up to now is 264.3 secs Computing kpt #: 253 total cpu time spent up to now is 265.0 secs Computing kpt #: 254 total cpu time spent up to now is 265.8 secs Computing kpt #: 255 total cpu time spent up to now is 267.0 secs Computing kpt #: 256 total cpu time spent up to now is 267.8 secs Computing kpt #: 257 total cpu time spent up to now is 268.7 secs Computing kpt #: 258 total cpu time spent up to now is 269.5 secs Computing kpt #: 259 total cpu time spent up to now is 270.3 secs Computing kpt #: 260 total cpu time spent up to now is 271.0 secs Computing kpt #: 261 total cpu time spent up to now is 271.7 secs Computing kpt #: 262 total cpu time spent up to now is 272.5 secs Computing kpt #: 263 total cpu time spent up to now is 273.3 secs Computing kpt #: 264 total cpu time spent up to now is 274.1 secs Computing kpt #: 265 total cpu time spent up to now is 274.9 secs Computing kpt #: 266 total cpu time spent up to now is 275.7 secs Computing kpt #: 267 total cpu time spent up to now is 276.6 secs Computing kpt #: 268 total cpu time spent up to now is 277.4 secs Computing kpt #: 269 total cpu time spent up to now is 278.2 secs Computing kpt #: 270 total cpu time spent up to now is 279.0 secs Computing kpt #: 271 total cpu time spent up to now is 279.8 secs Computing kpt #: 272 total cpu time spent up to now is 280.6 secs Computing kpt #: 273 total cpu time spent up to now is 281.4 secs Computing kpt #: 274 total cpu time spent up to now is 282.1 secs Computing kpt #: 275 total cpu time spent up to now is 282.9 secs Computing kpt #: 276 total cpu time spent up to now is 283.6 secs Computing kpt #: 277 total cpu time spent up to now is 284.5 secs Computing kpt #: 278 total cpu time spent up to now is 285.3 secs Computing kpt #: 279 total cpu time spent up to now is 286.1 secs Computing kpt #: 280 total cpu time spent up to now is 287.4 secs Computing kpt #: 281 total cpu time spent up to now is 288.6 secs Computing kpt #: 282 total cpu time spent up to now is 290.1 secs Computing kpt #: 283 total cpu time spent up to now is 291.1 secs Computing kpt #: 284 total cpu time spent up to now is 292.2 secs Computing kpt #: 285 total cpu time spent up to now is 293.1 secs Computing kpt #: 286 total cpu time spent up to now is 293.9 secs Computing kpt #: 287 total cpu time spent up to now is 294.7 secs Computing kpt #: 288 total cpu time spent up to now is 295.5 secs Computing kpt #: 289 total cpu time spent up to now is 296.4 secs Computing kpt #: 290 total cpu time spent up to now is 297.3 secs Computing kpt #: 291 total cpu time spent up to now is 298.4 secs Computing kpt #: 292 total cpu time spent up to now is 299.5 secs Computing kpt #: 293 total cpu time spent up to now is 300.8 secs Computing kpt #: 294 total cpu time spent up to now is 302.1 secs Computing kpt #: 295 total cpu time spent up to now is 303.4 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.0 secs Computing kpt #: 297 total cpu time spent up to now is 306.4 secs Computing kpt #: 298 total cpu time spent up to now is 307.8 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.4 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.0 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.6 secs Computing kpt #: 302 total cpu time spent up to now is 314.1 secs Computing kpt #: 303 total cpu time spent up to now is 315.3 secs Computing kpt #: 304 total cpu time spent up to now is 316.8 secs Computing kpt #: 305 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.3 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.0 secs Computing kpt #: 307 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.6 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.1 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.6 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.1 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.7 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 329.3 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.9 secs Computing kpt #: 314 total cpu time spent up to now is 332.3 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.9 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 335.5 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 337.1 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.6 secs Computing kpt #: 319 total cpu time spent up to now is 339.6 secs Computing kpt #: 320 total cpu time spent up to now is 340.4 secs Computing kpt #: 321 total cpu time spent up to now is 341.4 secs Computing kpt #: 322 total cpu time spent up to now is 342.4 secs Computing kpt #: 323 total cpu time spent up to now is 343.7 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.3 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 346.8 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.4 secs Computing kpt #: 327 total cpu time spent up to now is 349.8 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.3 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.9 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.4 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.9 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.4 secs Computing kpt #: 333 total cpu time spent up to now is 358.6 secs Computing kpt #: 334 total cpu time spent up to now is 359.5 secs Computing kpt #: 335 total cpu time spent up to now is 360.2 secs Computing kpt #: 336 total cpu time spent up to now is 361.1 secs Computing kpt #: 337 total cpu time spent up to now is 361.9 secs Computing kpt #: 338 total cpu time spent up to now is 362.9 secs Computing kpt #: 339 total cpu time spent up to now is 363.7 secs Computing kpt #: 340 total cpu time spent up to now is 364.7 secs Computing kpt #: 341 total cpu time spent up to now is 365.6 secs Computing kpt #: 342 total cpu time spent up to now is 366.6 secs Computing kpt #: 343 total cpu time spent up to now is 367.4 secs Computing kpt #: 344 total cpu time spent up to now is 368.3 secs Computing kpt #: 345 total cpu time spent up to now is 369.2 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.6 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 372.1 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 373.6 secs Computing kpt #: 349 total cpu time spent up to now is 374.9 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 376.4 secs Computing kpt #: 351 total cpu time spent up to now is 377.5 secs Computing kpt #: 352 total cpu time spent up to now is 378.6 secs Computing kpt #: 353 total cpu time spent up to now is 379.6 secs Computing kpt #: 354 total cpu time spent up to now is 380.4 secs Computing kpt #: 355 total cpu time spent up to now is 381.2 secs Computing kpt #: 356 total cpu time spent up to now is 382.0 secs Computing kpt #: 357 total cpu time spent up to now is 382.7 secs Computing kpt #: 358 total cpu time spent up to now is 383.4 secs Computing kpt #: 359 total cpu time spent up to now is 384.1 secs Computing kpt #: 360 total cpu time spent up to now is 384.9 secs Computing kpt #: 361 total cpu time spent up to now is 385.6 secs Computing kpt #: 362 total cpu time spent up to now is 386.2 secs Computing kpt #: 363 total cpu time spent up to now is 386.8 secs Computing kpt #: 364 total cpu time spent up to now is 387.5 secs Computing kpt #: 365 total cpu time spent up to now is 388.1 secs Computing kpt #: 366 total cpu time spent up to now is 388.7 secs Computing kpt #: 367 total cpu time spent up to now is 389.3 secs Computing kpt #: 368 total cpu time spent up to now is 389.9 secs Computing kpt #: 369 total cpu time spent up to now is 390.5 secs Computing kpt #: 370 total cpu time spent up to now is 391.2 secs Computing kpt #: 371 total cpu time spent up to now is 391.8 secs Computing kpt #: 372 total cpu time spent up to now is 392.4 secs Computing kpt #: 373 total cpu time spent up to now is 393.0 secs Computing kpt #: 374 total cpu time spent up to now is 393.6 secs Computing kpt #: 375 total cpu time spent up to now is 394.3 secs Computing kpt #: 376 total cpu time spent up to now is 394.9 secs Computing kpt #: 377 total cpu time spent up to now is 395.6 secs Computing kpt #: 378 total cpu time spent up to now is 396.3 secs Computing kpt #: 379 total cpu time spent up to now is 397.1 secs Computing kpt #: 380 total cpu time spent up to now is 397.9 secs Computing kpt #: 381 total cpu time spent up to now is 398.6 secs Computing kpt #: 382 total cpu time spent up to now is 399.4 secs Computing kpt #: 383 total cpu time spent up to now is 400.3 secs Computing kpt #: 384 total cpu time spent up to now is 401.1 secs Computing kpt #: 385 total cpu time spent up to now is 402.1 secs Computing kpt #: 386 total cpu time spent up to now is 402.9 secs Computing kpt #: 387 total cpu time spent up to now is 403.8 secs Computing kpt #: 388 total cpu time spent up to now is 404.5 secs Computing kpt #: 389 total cpu time spent up to now is 405.2 secs Computing kpt #: 390 total cpu time spent up to now is 405.9 secs Computing kpt #: 391 total cpu time spent up to now is 406.6 secs Computing kpt #: 392 total cpu time spent up to now is 407.4 secs Computing kpt #: 393 total cpu time spent up to now is 408.2 secs Computing kpt #: 394 total cpu time spent up to now is 409.0 secs Computing kpt #: 395 total cpu time spent up to now is 409.8 secs Computing kpt #: 396 total cpu time spent up to now is 410.6 secs Computing kpt #: 397 total cpu time spent up to now is 411.5 secs Computing kpt #: 398 total cpu time spent up to now is 412.9 secs Computing kpt #: 399 total cpu time spent up to now is 413.7 secs Computing kpt #: 400 total cpu time spent up to now is 414.6 secs Computing kpt #: 401 total cpu time spent up to now is 415.4 secs Computing kpt #: 402 total cpu time spent up to now is 416.2 secs Computing kpt #: 403 total cpu time spent up to now is 417.1 secs Computing kpt #: 404 total cpu time spent up to now is 417.9 secs Computing kpt #: 405 total cpu time spent up to now is 418.7 secs Computing kpt #: 406 total cpu time spent up to now is 419.6 secs Computing kpt #: 407 total cpu time spent up to now is 420.5 secs Computing kpt #: 408 total cpu time spent up to now is 421.3 secs Computing kpt #: 409 total cpu time spent up to now is 422.2 secs Computing kpt #: 410 total cpu time spent up to now is 423.1 secs ethr = 2.63E-08, avg # of iterations = 65.6 total cpu time spent up to now is 423.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4575 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6410 -18.6410 -18.6152 -18.6152 -18.1577 -18.1577 -18.1224 -18.1224 -18.1115 -18.1115 -18.0964 -18.0964 -2.4278 -2.4278 -0.4802 -0.4802 1.6014 1.6014 5.8013 5.8013 7.2029 7.2029 7.4961 7.4961 7.5750 7.5750 8.0005 8.0005 8.6249 8.6249 8.6775 8.6775 8.8110 8.8110 10.3696 10.3696 11.5750 11.5750 11.7946 11.7946 11.8066 11.8134 k = 0.0061 0.0232-0.0000 ( 4579 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6410 -18.6410 -18.6152 -18.6152 -18.1577 -18.1577 -18.1224 -18.1224 -18.1116 -18.1116 -18.0964 -18.0964 -2.4263 -2.4263 -0.4794 -0.4794 1.6027 1.6027 5.7839 5.7839 7.2138 7.2138 7.5002 7.5002 7.5770 7.5770 8.0007 8.0007 8.5891 8.5891 8.6765 8.6765 8.8418 8.8418 10.3686 10.3686 11.5763 11.5763 11.7753 11.7753 11.8060 11.8060 k = 0.0121 0.0465-0.0000 ( 4583 PWs) bands (ev): -39.6359 -39.6359 -39.6298 -39.6298 -18.6411 -18.6411 -18.6153 -18.6153 -18.1577 -18.1577 -18.1226 -18.1226 -18.1117 -18.1117 -18.0964 -18.0964 -2.4220 -2.4220 -0.4770 -0.4770 1.6067 1.6067 5.7336 5.7336 7.2436 7.2436 7.5129 7.5129 7.5836 7.5836 8.0011 8.0011 8.5136 8.5136 8.6737 8.6737 8.9023 8.9023 10.3655 10.3655 11.5802 11.5802 11.7264 11.7264 11.8007 11.8007 k = 0.0182 0.0697-0.0000 ( 4573 PWs) bands (ev): -39.6359 -39.6359 -39.6298 -39.6298 -18.6411 -18.6411 -18.6154 -18.6154 -18.1577 -18.1577 -18.1228 -18.1228 -18.1118 -18.1118 -18.0964 -18.0964 -2.4148 -2.4148 -0.4729 -0.4729 1.6134 1.6134 5.6558 5.6558 7.2842 7.2842 7.5340 7.5340 7.5978 7.5978 8.0015 8.0015 8.4245 8.4245 8.6691 8.6691 8.9672 8.9672 10.3600 10.3600 11.5867 11.5867 11.6581 11.6581 11.7910 11.7910 k = 0.0243 0.0929-0.0000 ( 4573 PWs) bands (ev): -39.6359 -39.6359 -39.6298 -39.6298 -18.6412 -18.6412 -18.6156 -18.6156 -18.1578 -18.1578 -18.1231 -18.1231 -18.1119 -18.1119 -18.0964 -18.0964 -2.4048 -2.4048 -0.4672 -0.4672 1.6226 1.6226 5.5564 5.5564 7.3262 7.3262 7.5583 7.5583 7.6280 7.6280 8.0008 8.0008 8.3293 8.3293 8.6627 8.6627 9.0299 9.0299 10.3517 10.3517 11.5784 11.5784 11.5957 11.5957 11.7776 11.7778 k = 0.0303 0.1162-0.0000 ( 4571 PWs) bands (ev): -39.6358 -39.6358 -39.6298 -39.6298 -18.6413 -18.6413 -18.6158 -18.6158 -18.1579 -18.1579 -18.1235 -18.1235 -18.1121 -18.1121 -18.0964 -18.0964 -2.3919 -2.3919 -0.4600 -0.4600 1.6345 1.6345 5.4409 5.4409 7.3630 7.3630 7.5784 7.5784 7.6828 7.6828 7.9963 7.9963 8.2332 8.2332 8.6547 8.6547 9.0886 9.0886 10.3399 10.3399 11.4925 11.4925 11.6071 11.6071 11.7593 11.7596 k = 0.0364 0.1394-0.0000 ( 4577 PWs) bands (ev): -39.6358 -39.6358 -39.6297 -39.6297 -18.6414 -18.6414 -18.6161 -18.6161 -18.1580 -18.1580 -18.1240 -18.1240 -18.1124 -18.1124 -18.0964 -18.0964 -2.3762 -2.3762 -0.4512 -0.4512 1.6489 1.6489 5.3136 5.3136 7.3933 7.3933 7.5953 7.5953 7.7580 7.7580 7.9792 7.9792 8.1460 8.1460 8.6454 8.6454 9.1425 9.1425 10.3238 10.3238 11.4037 11.4037 11.6206 11.6206 11.7083 11.7083 k = 0.0425 0.1626-0.0000 ( 4575 PWs) bands (ev): -39.6357 -39.6357 -39.6297 -39.6297 -18.6416 -18.6416 -18.6164 -18.6164 -18.1581 -18.1581 -18.1246 -18.1246 -18.1127 -18.1127 -18.0964 -18.0964 -2.3576 -2.3576 -0.4408 -0.4408 1.6659 1.6659 5.1778 5.1778 7.4192 7.4192 7.6118 7.6118 7.8449 7.8449 7.9279 7.9279 8.0905 8.0905 8.6348 8.6348 9.1916 9.1916 10.3025 10.3025 11.3136 11.3136 11.6346 11.6346 11.6425 11.6425 k = 0.0486 0.1858-0.0000 ( 4569 PWs) bands (ev): -39.6357 -39.6357 -39.6296 -39.6296 -18.6418 -18.6418 -18.6167 -18.6167 -18.1583 -18.1583 -18.1252 -18.1252 -18.1130 -18.1130 -18.0963 -18.0963 -2.3361 -2.3361 -0.4289 -0.4289 1.6854 1.6854 5.0357 5.0357 7.4426 7.4426 7.6291 7.6291 7.8349 7.8349 7.9409 7.9409 8.0715 8.0715 8.6234 8.6234 9.2359 9.2359 10.2752 10.2752 11.2235 11.2235 11.5744 11.5744 11.6540 11.6540 k = 0.0546 0.2091-0.0000 ( 4567 PWs) bands (ev): -39.6356 -39.6356 -39.6296 -39.6296 -18.6420 -18.6420 -18.6171 -18.6171 -18.1584 -18.1584 -18.1259 -18.1259 -18.1133 -18.1133 -18.0963 -18.0963 -2.3119 -2.3119 -0.4156 -0.4156 1.7072 1.7072 4.8892 4.8892 7.4652 7.4652 7.6472 7.6472 7.7272 7.7272 8.0368 8.0368 8.0683 8.0683 8.6113 8.6113 9.2754 9.2754 10.2411 10.2411 11.1341 11.1341 11.5126 11.5126 11.6713 11.6714 k = 0.0607 0.2323-0.0000 ( 4575 PWs) bands (ev): -39.6356 -39.6356 -39.6295 -39.6295 -18.6422 -18.6422 -18.6175 -18.6175 -18.1587 -18.1587 -18.1267 -18.1267 -18.1137 -18.1137 -18.0963 -18.0963 -2.2849 -2.2849 -0.4008 -0.4008 1.7314 1.7314 4.7395 4.7395 7.4873 7.4873 7.6089 7.6089 7.6698 7.6698 8.0704 8.0704 8.1331 8.1331 8.5989 8.5989 9.3103 9.3103 10.1998 10.1998 11.0456 11.0456 11.4570 11.4570 11.6667 11.6667 k = 0.0668 0.2555-0.0000 ( 4583 PWs) bands (ev): -39.6355 -39.6355 -39.6295 -39.6295 -18.6425 -18.6425 -18.6180 -18.6180 -18.1589 -18.1589 -18.1276 -18.1276 -18.1142 -18.1142 -18.0962 -18.0962 -2.2550 -2.2550 -0.3846 -0.3846 1.7578 1.7578 4.5878 4.5878 7.4836 7.4836 7.5170 7.5170 7.6899 7.6899 8.0747 8.0747 8.2275 8.2275 8.5866 8.5866 9.3411 9.3411 10.1515 10.1515 10.9586 10.9586 11.4088 11.4088 11.6509 11.6509 k = 0.0728 0.2788-0.0000 ( 4579 PWs) bands (ev): -39.6354 -39.6354 -39.6294 -39.6294 -18.6428 -18.6428 -18.6184 -18.6184 -18.1592 -18.1592 -18.1285 -18.1285 -18.1146 -18.1146 -18.0962 -18.0962 -2.2224 -2.2224 -0.3671 -0.3671 1.7863 1.7863 4.4348 4.4348 7.3658 7.3658 7.5369 7.5369 7.7119 7.7119 8.0798 8.0798 8.3182 8.3182 8.5749 8.5749 9.3679 9.3679 10.0971 10.0971 10.8732 10.8732 11.3688 11.3688 11.6366 11.6366 k = 0.0789 0.3020-0.0000 ( 4575 PWs) bands (ev): -39.6353 -39.6353 -39.6293 -39.6293 -18.6431 -18.6431 -18.6189 -18.6189 -18.1595 -18.1595 -18.1295 -18.1295 -18.1150 -18.1150 -18.0961 -18.0961 -2.1871 -2.1871 -0.3483 -0.3483 1.8167 1.8167 4.2813 4.2813 7.2428 7.2428 7.5615 7.5615 7.7345 7.7345 8.0851 8.0851 8.4035 8.4035 8.5645 8.5645 9.3914 9.3914 10.0382 10.0382 10.7897 10.7897 11.3372 11.3372 11.6249 11.6249 k = 0.0850 0.3252-0.0000 ( 4567 PWs) bands (ev): -39.6353 -39.6353 -39.6292 -39.6292 -18.6434 -18.6434 -18.6195 -18.6195 -18.1598 -18.1598 -18.1305 -18.1305 -18.1154 -18.1154 -18.0960 -18.0960 -2.1490 -2.1490 -0.3283 -0.3283 1.8488 1.8488 4.1280 4.1280 7.1189 7.1189 7.5872 7.5872 7.7575 7.7575 8.0899 8.0899 8.4810 8.4810 8.5567 8.5567 9.4118 9.4118 9.9773 9.9773 10.7081 10.7081 11.3135 11.3135 11.6161 11.6161 k = 0.0910 0.3485-0.0000 ( 4563 PWs) bands (ev): -39.6352 -39.6352 -39.6292 -39.6292 -18.6437 -18.6437 -18.6200 -18.6200 -18.1602 -18.1602 -18.1316 -18.1316 -18.1158 -18.1158 -18.0959 -18.0959 -2.1082 -2.1082 -0.3071 -0.3071 1.8824 1.8824 3.9754 3.9754 6.9948 6.9948 7.6136 7.6136 7.7801 7.7801 8.0940 8.0940 8.5354 8.5354 8.5653 8.5653 9.4297 9.4297 9.9179 9.9179 10.6284 10.6284 11.2972 11.2972 11.6106 11.6106 k = 0.0971 0.3717-0.0000 ( 4563 PWs) bands (ev): -39.6351 -39.6351 -39.6291 -39.6291 -18.6440 -18.6440 -18.6206 -18.6206 -18.1606 -18.1606 -18.1327 -18.1327 -18.1162 -18.1162 -18.0958 -18.0958 -2.0648 -2.0648 -0.2849 -0.2849 1.9170 1.9170 3.8242 3.8242 6.8711 6.8711 7.6405 7.6405 7.8020 7.8020 8.0968 8.0968 8.5394 8.5394 8.6157 8.6157 9.4458 9.4458 9.8639 9.8639 10.5509 10.5509 11.2873 11.2873 11.6085 11.6085 k = 0.1032 0.3949-0.0000 ( 4563 PWs) bands (ev): -39.6350 -39.6350 -39.6290 -39.6290 -18.6444 -18.6444 -18.6212 -18.6212 -18.1610 -18.1610 -18.1338 -18.1338 -18.1166 -18.1166 -18.0957 -18.0957 -2.0187 -2.0187 -0.2616 -0.2616 1.9522 1.9522 3.6752 3.6752 6.7482 6.7482 7.6675 7.6675 7.8222 7.8222 8.0981 8.0981 8.5398 8.5398 8.6591 8.6591 9.4605 9.4605 9.8203 9.8203 10.4754 10.4754 11.2830 11.2830 11.6096 11.6096 k = 0.1093 0.4181-0.0000 ( 4563 PWs) bands (ev): -39.6349 -39.6349 -39.6289 -39.6289 -18.6448 -18.6448 -18.6219 -18.6219 -18.1615 -18.1615 -18.1350 -18.1350 -18.1170 -18.1170 -18.0955 -18.0955 -1.9700 -1.9700 -0.2375 -0.2375 1.9872 1.9872 3.5293 3.5293 6.6265 6.6265 7.6940 7.6940 7.8404 7.8404 8.0973 8.0973 8.5438 8.5438 8.6860 8.6860 9.4746 9.4746 9.7915 9.7915 10.4021 10.4021 11.2834 11.2834 11.6140 11.6140 k = 0.1153 0.4414-0.0000 ( 4559 PWs) bands (ev): -39.6348 -39.6348 -39.6288 -39.6288 -18.6451 -18.6451 -18.6225 -18.6225 -18.1619 -18.1619 -18.1362 -18.1362 -18.1173 -18.1173 -18.0954 -18.0954 -1.9188 -1.9188 -0.2126 -0.2126 2.0209 2.0209 3.3876 3.3876 6.5064 6.5064 7.7193 7.7193 7.8557 7.8557 8.0942 8.0942 8.5528 8.5528 8.6942 8.6942 9.4889 9.4889 9.7812 9.7812 10.3310 10.3310 11.2880 11.2880 11.6213 11.6213 k = 0.1214 0.4646-0.0000 ( 4561 PWs) bands (ev): -39.6347 -39.6347 -39.6287 -39.6287 -18.6455 -18.6455 -18.6232 -18.6232 -18.1624 -18.1624 -18.1374 -18.1374 -18.1177 -18.1177 -18.0953 -18.0953 -1.8651 -1.8651 -0.1869 -0.1869 2.0518 2.0518 3.2518 3.2518 6.3881 6.3881 7.7424 7.7424 7.8678 7.8678 8.0885 8.0885 8.5676 8.5676 8.6839 8.6839 9.5043 9.5043 9.7907 9.7907 10.2621 10.2621 11.2960 11.2960 11.6309 11.6309 k = 0.1275 0.4878-0.0000 ( 4561 PWs) bands (ev): -39.6346 -39.6346 -39.6286 -39.6286 -18.6459 -18.6459 -18.6238 -18.6238 -18.1630 -18.1630 -18.1386 -18.1386 -18.1180 -18.1180 -18.0952 -18.0952 -1.8089 -1.8089 -0.1606 -0.1606 2.0773 2.0773 3.1246 3.1246 6.2721 6.2721 7.7617 7.7617 7.8765 7.8765 8.0797 8.0797 8.5886 8.5886 8.6584 8.6584 9.5216 9.5216 9.8192 9.8192 10.1955 10.1955 11.3069 11.3069 11.6423 11.6423 k = 0.1335 0.5111-0.0000 ( 4563 PWs) bands (ev): -39.6345 -39.6345 -39.6285 -39.6285 -18.6463 -18.6463 -18.6245 -18.6245 -18.1635 -18.1635 -18.1398 -18.1398 -18.1183 -18.1183 -18.0950 -18.0950 -1.7504 -1.7504 -0.1338 -0.1338 2.0936 2.0936 3.0099 3.0099 6.1587 6.1587 7.7751 7.7751 7.8817 7.8817 8.0677 8.0677 8.6152 8.6152 8.6241 8.6241 9.5411 9.5411 9.8638 9.8638 10.1310 10.1310 11.3204 11.3204 11.6405 11.6405 k = 0.1396 0.5343-0.0000 ( 4559 PWs) bands (ev): -39.6344 -39.6344 -39.6285 -39.6285 -18.6467 -18.6467 -18.6252 -18.6252 -18.1641 -18.1641 -18.1410 -18.1410 -18.1185 -18.1185 -18.0949 -18.0949 -1.6895 -1.6895 -0.1065 -0.1065 2.0952 2.0952 2.9131 2.9131 6.0482 6.0482 7.7799 7.7799 7.8839 7.8839 8.0524 8.0524 8.5838 8.5838 8.6507 8.6507 9.5633 9.5633 9.9214 9.9214 10.0689 10.0689 11.3360 11.3360 11.6082 11.6083 k = 0.1457 0.5575-0.0000 ( 4559 PWs) bands (ev): -39.6343 -39.6343 -39.6284 -39.6284 -18.6470 -18.6470 -18.6259 -18.6259 -18.1647 -18.1647 -18.1422 -18.1422 -18.1187 -18.1187 -18.0948 -18.0948 -1.6265 -1.6265 -0.0789 -0.0789 2.0755 2.0755 2.8407 2.8407 5.9409 5.9409 7.7734 7.7734 7.8832 7.8832 8.0340 8.0340 8.5481 8.5481 8.6911 8.6911 9.5885 9.5885 9.9873 9.9873 10.0108 10.0108 11.3536 11.3536 11.5722 11.5722 k = 0.1517 0.5808-0.0000 ( 4563 PWs) bands (ev): -39.6342 -39.6342 -39.6283 -39.6283 -18.6474 -18.6474 -18.6265 -18.6265 -18.1653 -18.1653 -18.1433 -18.1433 -18.1189 -18.1189 -18.0947 -18.0947 -1.5613 -1.5613 -0.0511 -0.0511 2.0298 2.0298 2.7976 2.7976 5.8371 5.8371 7.7532 7.7532 7.8794 7.8794 8.0127 8.0127 8.5209 8.5209 8.7373 8.7373 9.6167 9.6167 9.9498 9.9498 10.0663 10.0663 11.3728 11.3728 11.5323 11.5323 k = 0.1578 0.6040-0.0000 ( 4563 PWs) bands (ev): -39.6341 -39.6341 -39.6282 -39.6282 -18.6478 -18.6478 -18.6272 -18.6272 -18.1658 -18.1658 -18.1445 -18.1445 -18.1191 -18.1191 -18.0945 -18.0945 -1.4942 -1.4942 -0.0231 -0.0231 1.9584 1.9584 2.7832 2.7832 5.7370 5.7370 7.7186 7.7186 7.8720 7.8720 7.9893 7.9893 8.5059 8.5059 8.7890 8.7890 9.6482 9.6482 9.8940 9.8940 10.1482 10.1482 11.3934 11.3934 11.4886 11.4886 k = 0.1639 0.6272-0.0000 ( 4563 PWs) bands (ev): -39.6340 -39.6340 -39.6281 -39.6281 -18.6482 -18.6482 -18.6278 -18.6278 -18.1664 -18.1664 -18.1456 -18.1456 -18.1193 -18.1193 -18.0944 -18.0944 -1.4252 -1.4252 0.0050 0.0050 1.8664 1.8664 2.7924 2.7924 5.6411 5.6411 7.6703 7.6703 7.8601 7.8601 7.9651 7.9651 8.5045 8.5045 8.8456 8.8456 9.6827 9.6827 9.8402 9.8402 10.2353 10.2353 11.4146 11.4146 11.4418 11.4418 k = 0.1700 0.6504-0.0000 ( 4565 PWs) bands (ev): -39.6340 -39.6340 -39.6280 -39.6280 -18.6485 -18.6485 -18.6284 -18.6284 -18.1669 -18.1669 -18.1466 -18.1466 -18.1194 -18.1194 -18.0943 -18.0943 -1.3545 -1.3545 0.0331 0.0331 1.7604 1.7604 2.8185 2.8185 5.5494 5.5494 7.6104 7.6104 7.8426 7.8426 7.9418 7.9418 8.5158 8.5158 8.9065 8.9065 9.7200 9.7200 9.7885 9.7885 10.3265 10.3265 11.3887 11.3887 11.4395 11.4395 k = 0.1760 0.6737-0.0000 ( 4559 PWs) bands (ev): -39.6339 -39.6339 -39.6280 -39.6280 -18.6488 -18.6488 -18.6290 -18.6290 -18.1674 -18.1674 -18.1476 -18.1476 -18.1195 -18.1195 -18.0942 -18.0942 -1.2825 -1.2825 0.0613 0.0613 1.6457 1.6457 2.8560 2.8560 5.4625 5.4625 7.5417 7.5417 7.8187 7.8187 7.9214 7.9214 8.5380 8.5380 8.9715 8.9715 9.7354 9.7354 9.7634 9.7634 10.4212 10.4212 11.3342 11.3342 11.4631 11.4631 k = 0.1821 0.6969-0.0000 ( 4558 PWs) bands (ev): -39.6338 -39.6338 -39.6279 -39.6279 -18.6491 -18.6491 -18.6296 -18.6296 -18.1679 -18.1679 -18.1486 -18.1486 -18.1195 -18.1195 -18.0941 -18.0941 -1.2092 -1.2092 0.0896 0.0896 1.5259 1.5259 2.9012 2.9012 5.3804 5.3804 7.4670 7.4670 7.7882 7.7882 7.9047 7.9047 8.5690 8.5690 9.0401 9.0401 9.6884 9.6884 9.8052 9.8052 10.5188 10.5188 11.2762 11.2762 11.4869 11.4869 k = 0.1882 0.7201-0.0000 ( 4554 PWs) bands (ev): -39.6337 -39.6337 -39.6278 -39.6278 -18.6494 -18.6494 -18.6301 -18.6301 -18.1684 -18.1684 -18.1494 -18.1494 -18.1196 -18.1196 -18.0940 -18.0940 -1.1351 -1.1351 0.1181 0.1181 1.4034 1.4034 2.9513 2.9513 5.3035 5.3035 7.3888 7.3888 7.7524 7.7524 7.8914 7.8914 8.6067 8.6067 9.1119 9.1119 9.6416 9.6416 9.8506 9.8506 10.6190 10.6190 11.2154 11.2154 11.5015 11.5016 k = 0.1942 0.7434-0.0000 ( 4554 PWs) bands (ev): -39.6337 -39.6337 -39.6278 -39.6278 -18.6497 -18.6497 -18.6306 -18.6306 -18.1688 -18.1688 -18.1503 -18.1503 -18.1196 -18.1196 -18.0939 -18.0939 -1.0605 -1.0605 0.1469 0.1469 1.2798 1.2798 3.0048 3.0048 5.2320 5.2320 7.3091 7.3091 7.7126 7.7126 7.8807 7.8807 8.6499 8.6499 9.1866 9.1866 9.5961 9.5961 9.8978 9.8978 10.7215 10.7215 11.1523 11.1523 11.4558 11.4558 k = 0.2003 0.7666-0.0000 ( 4562 PWs) bands (ev): -39.6336 -39.6336 -39.6277 -39.6277 -18.6499 -18.6499 -18.6311 -18.6311 -18.1693 -18.1693 -18.1510 -18.1510 -18.1197 -18.1197 -18.0939 -18.0939 -0.9860 -0.9860 0.1763 0.1763 1.1559 1.1559 3.0601 3.0601 5.1661 5.1661 7.2297 7.2297 7.6700 7.6700 7.8720 7.8720 8.6972 8.6972 9.2640 9.2640 9.5519 9.5519 9.9463 9.9463 10.8258 10.8258 11.0876 11.0876 11.3919 11.3919 k = 0.2064 0.7898-0.0000 ( 4550 PWs) bands (ev): -39.6336 -39.6336 -39.6277 -39.6277 -18.6501 -18.6501 -18.6315 -18.6315 -18.1696 -18.1696 -18.1517 -18.1517 -18.1197 -18.1197 -18.0938 -18.0938 -0.9122 -0.9122 0.2068 0.2068 1.0325 1.0325 3.1165 3.1165 5.1061 5.1061 7.1519 7.1519 7.6256 7.6256 7.8650 7.8650 8.7480 8.7480 9.3437 9.3437 9.5087 9.5087 9.9951 9.9951 10.9310 10.9310 11.0223 11.0223 11.3262 11.3262 k = 0.2124 0.8131-0.0000 ( 4550 PWs) bands (ev): -39.6335 -39.6335 -39.6276 -39.6276 -18.6503 -18.6503 -18.6319 -18.6319 -18.1699 -18.1699 -18.1523 -18.1523 -18.1197 -18.1197 -18.0938 -18.0938 -0.8398 -0.8398 0.2389 0.2389 0.9101 0.9101 3.1729 3.1729 5.0520 5.0520 7.0769 7.0769 7.5798 7.5798 7.8595 7.8595 8.8016 8.8016 9.4254 9.4254 9.4665 9.4665 10.0431 10.0431 10.9536 10.9536 11.0392 11.0392 11.2628 11.2628 k = 0.2185 0.8363-0.0000 ( 4542 PWs) bands (ev): -39.6335 -39.6335 -39.6276 -39.6276 -18.6504 -18.6504 -18.6322 -18.6322 -18.1701 -18.1701 -18.1528 -18.1528 -18.1197 -18.1197 -18.0937 -18.0937 -0.7697 -0.7697 0.2733 0.2733 0.7890 0.7890 3.2286 3.2286 5.0042 5.0042 7.0057 7.0057 7.5333 7.5333 7.8556 7.8556 8.8574 8.8574 9.4249 9.4249 9.5090 9.5090 10.0888 10.0888 10.8882 10.8882 11.1325 11.1325 11.2159 11.2159 k = 0.2246 0.8595-0.0000 ( 4554 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6505 -18.6505 -18.6325 -18.6325 -18.1704 -18.1704 -18.1533 -18.1533 -18.1197 -18.1197 -18.0937 -18.0937 -0.7030 -0.7030 0.3108 0.3108 0.6695 0.6695 3.2830 3.2830 4.9626 4.9626 6.9391 6.9391 7.4863 7.4863 7.8530 7.8530 8.9152 8.9152 9.3836 9.3836 9.5940 9.5940 10.1303 10.1303 10.8232 10.8232 11.1262 11.1262 11.2759 11.2759 k = 0.2306 0.8827-0.0000 ( 4554 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6506 -18.6506 -18.6328 -18.6328 -18.1705 -18.1705 -18.1536 -18.1536 -18.1197 -18.1197 -18.0937 -18.0937 -0.6407 -0.6407 0.3526 0.3526 0.5517 0.5517 3.3352 3.3352 4.9273 4.9273 6.8781 6.8781 7.4392 7.4392 7.8520 7.8520 8.9745 8.9745 9.3427 9.3427 9.6801 9.6801 10.1649 10.1649 10.7598 10.7598 11.0825 11.0825 11.3825 11.3825 k = 0.2367 0.9060-0.0000 ( 4550 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6507 -18.6507 -18.6329 -18.6329 -18.1706 -18.1706 -18.1539 -18.1539 -18.1196 -18.1196 -18.0938 -18.0938 -0.5843 -0.5843 0.3997 0.3997 0.4358 0.4358 3.3847 3.3847 4.8984 4.8984 6.8235 6.8235 7.3925 7.3925 7.8524 7.8524 9.0349 9.0349 9.3020 9.3020 9.7671 9.7671 10.1895 10.1895 10.6988 10.6988 11.0472 11.0472 11.4915 11.4915 k = 0.2428 0.9292-0.0000 ( 4560 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6507 -18.6507 -18.6331 -18.6331 -18.1707 -18.1707 -18.1541 -18.1541 -18.1197 -18.1197 -18.0938 -18.0938 -0.5346 -0.5346 0.3219 0.3219 0.4532 0.4532 3.4307 3.4307 4.8759 4.8759 6.7760 6.7760 7.3463 7.3463 7.8543 7.8543 9.0953 9.0953 9.2619 9.2619 9.8544 9.8544 10.2008 10.2008 10.6407 10.6407 11.0264 11.0264 11.5944 11.5944 k = 0.2489 0.9524-0.0000 ( 4558 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6507 -18.6507 -18.6331 -18.6331 -18.1706 -18.1706 -18.1542 -18.1542 -18.1196 -18.1196 -18.0938 -18.0938 -0.4927 -0.4927 0.2101 0.2101 0.5140 0.5140 3.4726 3.4726 4.8596 4.8596 6.7363 6.7363 7.3010 7.3010 7.8578 7.8578 9.1504 9.1504 9.2278 9.2278 9.9418 9.9418 10.1968 10.1968 10.5863 10.5863 11.0229 11.0229 11.6644 11.6644 k = 0.2549 0.9757-0.0000 ( 4554 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6506 -18.6506 -18.6332 -18.6332 -18.1706 -18.1706 -18.1542 -18.1542 -18.1196 -18.1196 -18.0939 -18.0939 -0.4592 -0.4592 0.1006 0.1006 0.5825 0.5825 3.5099 3.5099 4.8495 4.8495 6.7050 6.7050 7.2569 7.2569 7.8629 7.8629 9.1566 9.1566 9.2424 9.2424 10.0286 10.0286 10.1770 10.1770 10.5358 10.5358 11.0374 11.0374 11.6814 11.6814 k = 0.2610 0.9989-0.0000 ( 4550 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6505 -18.6505 -18.6331 -18.6331 -18.1704 -18.1704 -18.1541 -18.1541 -18.1196 -18.1196 -18.0939 -18.0939 -0.4341 -0.4341 -0.0067 -0.0067 0.6591 0.6591 3.5419 3.5419 4.8454 4.8454 6.6828 6.6828 7.2142 7.2142 7.8695 7.8695 9.1185 9.1185 9.3011 9.3011 10.1132 10.1132 10.1445 10.1445 10.4898 10.4898 11.0683 11.0683 11.6749 11.6749 k = 0.2671 1.0221-0.0000 ( 4564 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6504 -18.6504 -18.6330 -18.6330 -18.1703 -18.1703 -18.1540 -18.1540 -18.1196 -18.1196 -18.0940 -18.0940 -0.4173 -0.4173 -0.1117 -0.1117 0.7435 0.7435 3.5682 3.5682 4.8470 4.8470 6.6701 6.6701 7.1732 7.1732 7.8776 7.8776 9.0735 9.0735 9.3660 9.3660 10.0968 10.0968 10.2001 10.2001 10.4488 10.4488 11.1126 11.1126 11.6566 11.6566 k = 0.2671 1.0221-0.0000 ( 4564 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6504 -18.6504 -18.6330 -18.6330 -18.1703 -18.1703 -18.1540 -18.1540 -18.1196 -18.1196 -18.0940 -18.0940 -0.4173 -0.4173 -0.1117 -0.1117 0.7435 0.7435 3.5682 3.5682 4.8470 4.8470 6.6701 6.6701 7.1732 7.1732 7.8776 7.8776 9.0735 9.0735 9.3660 9.3660 10.0968 10.0968 10.2001 10.2001 10.4488 10.4488 11.1126 11.1126 11.6566 11.6566 k = 0.2428 1.0221-0.0000 ( 4558 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6505 -18.6505 -18.6331 -18.6331 -18.1703 -18.1703 -18.1540 -18.1540 -18.1196 -18.1196 -18.0940 -18.0940 -0.4224 -0.4224 -0.0828 -0.0828 0.7208 0.7208 3.5595 3.5595 4.8512 4.8512 6.6513 6.6513 7.2066 7.2066 7.8753 7.8753 9.0856 9.0856 9.3433 9.3433 10.1099 10.1099 10.1807 10.1807 10.4556 10.4556 11.0935 11.0935 11.6626 11.6626 k = 0.2185 1.0221-0.0000 ( 4561 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6505 -18.6505 -18.6331 -18.6331 -18.1704 -18.1704 -18.1541 -18.1541 -18.1196 -18.1196 -18.0940 -18.0940 -0.4301 -0.4301 -0.0507 -0.0507 0.6981 0.6981 3.5459 3.5459 4.8656 4.8656 6.6003 6.6003 7.2768 7.2768 7.8731 7.8731 9.0977 9.0977 9.3093 9.3093 10.1236 10.1236 10.1652 10.1652 10.4565 10.4565 11.0630 11.0630 11.6683 11.6683 k = 0.1942 1.0221-0.0000 ( 4554 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6505 -18.6505 -18.6331 -18.6331 -18.1704 -18.1704 -18.1541 -18.1541 -18.1196 -18.1196 -18.0939 -18.0939 -0.4389 -0.4389 -0.0169 -0.0169 0.6754 0.6754 3.5287 3.5287 4.8889 4.8889 6.5322 6.5322 7.3684 7.3684 7.8712 7.8712 9.1089 9.1089 9.2656 9.2656 10.1361 10.1361 10.1554 10.1554 10.4519 10.4519 11.0240 11.0240 11.6731 11.6731 k = 0.1700 1.0221-0.0000 ( 4557 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6506 -18.6506 -18.6331 -18.6331 -18.1704 -18.1704 -18.1541 -18.1541 -18.1196 -18.1196 -18.0939 -18.0939 -0.4479 -0.4479 0.0172 0.0172 0.6529 0.6529 3.5095 3.5095 4.9192 4.9192 6.4573 6.4573 7.4706 7.4706 7.8696 7.8696 9.1164 9.1164 9.2153 9.2153 10.1391 10.1391 10.1588 10.1588 10.4425 10.4425 10.9803 10.9803 11.6766 11.6766 k = 0.1457 1.0221-0.0000 ( 4554 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6506 -18.6506 -18.6331 -18.6331 -18.1705 -18.1705 -18.1541 -18.1541 -18.1196 -18.1196 -18.0939 -18.0939 -0.4565 -0.4565 0.0504 0.0504 0.6310 0.6310 3.4896 3.4896 4.9545 4.9545 6.3816 6.3816 7.5770 7.5770 7.8691 7.8691 9.1071 9.1071 9.1729 9.1729 10.1362 10.1362 10.1714 10.1714 10.4295 10.4295 10.9359 10.9359 11.6789 11.6789 k = 0.1214 1.0221-0.0000 ( 4552 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6506 -18.6506 -18.6331 -18.6331 -18.1705 -18.1705 -18.1542 -18.1542 -18.1196 -18.1196 -18.0939 -18.0939 -0.4642 -0.4642 0.0817 0.0817 0.6101 0.6101 3.4705 3.4705 4.9924 4.9924 6.3089 6.3089 7.6819 7.6819 7.8708 7.8708 9.0575 9.0575 9.1632 9.1632 10.1352 10.1352 10.1844 10.1844 10.4141 10.4141 10.8938 10.8938 11.6802 11.6802 k = 0.0971 1.0221-0.0000 ( 4554 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6506 -18.6506 -18.6331 -18.6331 -18.1706 -18.1706 -18.1542 -18.1542 -18.1196 -18.1196 -18.0938 -18.0938 -0.4708 -0.4708 0.1101 0.1101 0.5908 0.5908 3.4532 3.4532 5.0304 5.0304 6.2426 6.2426 7.7756 7.7756 7.8808 7.8808 8.9893 8.9893 9.1673 9.1673 10.1366 10.1366 10.1961 10.1961 10.3977 10.3977 10.8566 10.8566 11.6810 11.6810 k = 0.0728 1.0221-0.0000 ( 4556 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6507 -18.6507 -18.6331 -18.6331 -18.1706 -18.1706 -18.1542 -18.1542 -18.1196 -18.1196 -18.0938 -18.0938 -0.4761 -0.4761 0.1343 0.1343 0.5740 0.5740 3.4388 3.4388 5.0652 5.0652 6.1857 6.1857 7.8293 7.8293 7.9231 7.9231 8.9188 8.9188 9.1728 9.1728 10.1398 10.1398 10.2058 10.2058 10.3820 10.3820 10.8261 10.8261 11.6814 11.6814 k = 0.0486 1.0221-0.0000 ( 4552 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6507 -18.6507 -18.6331 -18.6331 -18.1706 -18.1706 -18.1542 -18.1542 -18.1196 -18.1196 -18.0938 -18.0938 -0.4800 -0.4800 0.1531 0.1531 0.5607 0.5607 3.4280 3.4280 5.0937 5.0937 6.1416 6.1416 7.8425 7.8425 7.9913 7.9913 8.8552 8.8552 9.1774 9.1774 10.1437 10.1437 10.2131 10.2131 10.3688 10.3688 10.8034 10.8034 11.6815 11.6815 k = 0.0243 1.0221-0.0000 ( 4551 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6507 -18.6507 -18.6331 -18.6331 -18.1707 -18.1707 -18.1542 -18.1542 -18.1196 -18.1196 -18.0938 -18.0938 -0.4823 -0.4823 0.1650 0.1650 0.5521 0.5521 3.4213 3.4213 5.1125 5.1125 6.1135 6.1135 7.8457 7.8457 8.0449 8.0449 8.8089 8.8089 9.1804 9.1804 10.1469 10.1469 10.2176 10.2176 10.3599 10.3599 10.7895 10.7895 11.6816 11.6816 k = 0.0000 1.0221-0.0000 ( 4548 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6507 -18.6507 -18.6331 -18.6331 -18.1707 -18.1707 -18.1542 -18.1542 -18.1196 -18.1196 -18.0938 -18.0938 -0.4831 -0.4831 0.1692 0.1692 0.5491 0.5491 3.4191 3.4191 5.1191 5.1191 6.1038 6.1038 7.8464 7.8464 8.0650 8.0650 8.7916 8.7916 9.1814 9.1814 10.1481 10.1481 10.2191 10.2191 10.3567 10.3567 10.7848 10.7848 11.6816 11.6816 k = 0.0000 1.0221-0.0000 ( 4548 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6507 -18.6507 -18.6331 -18.6331 -18.1707 -18.1707 -18.1542 -18.1542 -18.1196 -18.1196 -18.0938 -18.0938 -0.4831 -0.4831 0.1692 0.1692 0.5491 0.5491 3.4191 3.4191 5.1191 5.1191 6.1038 6.1038 7.8464 7.8464 8.0650 8.0650 8.7916 8.7916 9.1814 9.1814 10.1481 10.1481 10.2191 10.2191 10.3567 10.3567 10.7848 10.7848 11.6816 11.6816 k = 0.0000 1.0221 0.0241 ( 4554 PWs) bands (ev): -39.6333 -39.6333 -39.6275 -39.6275 -18.6507 -18.6507 -18.6331 -18.6331 -18.1707 -18.1707 -18.1542 -18.1542 -18.1197 -18.1197 -18.0938 -18.0938 -0.4820 -0.4820 0.1704 0.1704 0.5504 0.5504 3.4185 3.4185 5.1200 5.1200 6.1050 6.1050 7.8403 7.8403 8.0646 8.0646 8.7936 8.7936 9.1666 9.1666 10.0520 10.0520 10.3040 10.3040 10.3527 10.3527 10.7948 10.7948 11.6831 11.6831 k = 0.0000 1.0221 0.0482 ( 4550 PWs) bands (ev): -39.6333 -39.6333 -39.6275 -39.6275 -18.6507 -18.6507 -18.6332 -18.6332 -18.1706 -18.1706 -18.1542 -18.1542 -18.1198 -18.1198 -18.0940 -18.0940 -0.4786 -0.4786 0.1742 0.1742 0.5540 0.5540 3.4170 3.4170 5.1229 5.1229 6.1087 6.1087 7.8224 7.8224 8.0636 8.0636 8.7993 8.7993 9.1234 9.1234 9.9210 9.9210 10.3197 10.3197 10.4232 10.4232 10.8228 10.8228 11.6875 11.6875 k = 0.0000 1.0221 0.0724 ( 4560 PWs) bands (ev): -39.6333 -39.6333 -39.6275 -39.6275 -18.6508 -18.6508 -18.6333 -18.6333 -18.1705 -18.1705 -18.1543 -18.1543 -18.1201 -18.1201 -18.0943 -18.0943 -0.4729 -0.4729 0.1805 0.1805 0.5602 0.5602 3.4144 3.4144 5.1277 5.1277 6.1148 6.1148 7.7934 7.7934 8.0621 8.0621 8.8072 8.8072 9.0556 9.0556 9.7827 9.7827 10.2846 10.2846 10.5253 10.5253 10.8644 10.8644 11.6946 11.6946 k = 0.0000 1.0221 0.0965 ( 4560 PWs) bands (ev): -39.6332 -39.6332 -39.6275 -39.6275 -18.6508 -18.6508 -18.6334 -18.6334 -18.1704 -18.1704 -18.1543 -18.1543 -18.1204 -18.1204 -18.0947 -18.0947 -0.4650 -0.4650 0.1893 0.1893 0.5687 0.5687 3.4107 3.4107 5.1344 5.1344 6.1234 6.1234 7.7546 7.7546 8.0603 8.0603 8.8144 8.8144 8.9689 8.9689 9.6395 9.6395 10.2376 10.2376 10.6210 10.6210 10.9142 10.9142 11.7042 11.7042 k = 0.0000 1.0221 0.1206 ( 4560 PWs) bands (ev): -39.6332 -39.6332 -39.6274 -39.6274 -18.6509 -18.6509 -18.6336 -18.6336 -18.1703 -18.1703 -18.1543 -18.1543 -18.1208 -18.1208 -18.0952 -18.0952 -0.4548 -0.4548 0.2007 0.2007 0.5797 0.5797 3.4057 3.4057 5.1430 5.1430 6.1342 6.1342 7.7075 7.7075 8.0581 8.0581 8.8071 8.8071 8.8793 8.8793 9.4937 9.4937 10.1815 10.1815 10.7092 10.7092 10.9680 10.9680 11.7162 11.7162 k = 0.0000 1.0221 0.1447 ( 4558 PWs) bands (ev): -39.6331 -39.6331 -39.6274 -39.6274 -18.6509 -18.6509 -18.6338 -18.6338 -18.1701 -18.1701 -18.1544 -18.1544 -18.1212 -18.1212 -18.0958 -18.0958 -0.4424 -0.4424 0.2145 0.2145 0.5932 0.5932 3.3993 3.3993 5.1535 5.1535 6.1473 6.1473 7.6537 7.6537 8.0553 8.0553 8.7254 8.7254 8.8477 8.8477 9.3482 9.3482 10.1180 10.1180 10.7897 10.7897 11.0222 11.0222 11.7303 11.7303 k = 0.0000 1.0221 0.1689 ( 4556 PWs) bands (ev): -39.6330 -39.6330 -39.6274 -39.6274 -18.6510 -18.6510 -18.6340 -18.6340 -18.1699 -18.1699 -18.1545 -18.1545 -18.1218 -18.1218 -18.0964 -18.0964 -0.4278 -0.4278 0.2308 0.2308 0.6090 0.6090 3.3914 3.3914 5.1660 5.1660 6.1626 6.1626 7.5948 7.5948 8.0511 8.0511 8.6037 8.6037 8.8365 8.8365 9.2098 9.2098 10.0484 10.0484 10.8631 10.8631 11.0744 11.0744 11.7461 11.7461 k = 0.0000 1.0221 0.1930 ( 4556 PWs) bands (ev): -39.6329 -39.6329 -39.6273 -39.6273 -18.6511 -18.6511 -18.6343 -18.6343 -18.1697 -18.1697 -18.1546 -18.1546 -18.1224 -18.1224 -18.0972 -18.0972 -0.4108 -0.4108 0.2496 0.2496 0.6272 0.6272 3.3817 3.3817 5.1805 5.1805 6.1798 6.1798 7.5323 7.5323 8.0440 8.0440 8.4738 8.4738 8.8019 8.8019 9.0946 9.0946 9.9740 9.9740 10.9296 10.9296 11.1230 11.1230 11.7634 11.7634 k = 0.0000 1.0221 0.2171 ( 4556 PWs) bands (ev): -39.6328 -39.6328 -39.6273 -39.6273 -18.6512 -18.6512 -18.6346 -18.6346 -18.1695 -18.1695 -18.1547 -18.1547 -18.1231 -18.1231 -18.0981 -18.0981 -0.3917 -0.3917 0.2708 0.2708 0.6477 0.6477 3.3700 3.3700 5.1968 5.1968 6.1988 6.1988 7.4675 7.4675 8.0307 8.0307 8.3439 8.3439 8.7183 8.7183 9.0256 9.0256 9.8957 9.8957 10.9898 10.9898 11.1672 11.1672 11.7820 11.7820 k = 0.0000 1.0221 0.2412 ( 4550 PWs) bands (ev): -39.6327 -39.6327 -39.6273 -39.6273 -18.6513 -18.6513 -18.6350 -18.6350 -18.1692 -18.1692 -18.1548 -18.1548 -18.1238 -18.1238 -18.0990 -18.0990 -0.3703 -0.3703 0.2944 0.2944 0.6706 0.6706 3.3562 3.3562 5.2152 5.2152 6.2193 6.2193 7.4017 7.4017 8.0007 8.0007 8.2266 8.2266 8.5901 8.5901 8.9979 8.9979 9.8145 9.8145 11.0444 11.0444 11.2068 11.2068 11.8017 11.8017 k = 0.0000 1.0221 0.2653 ( 4542 PWs) bands (ev): -39.6326 -39.6326 -39.6272 -39.6272 -18.6515 -18.6515 -18.6354 -18.6354 -18.1689 -18.1689 -18.1549 -18.1549 -18.1246 -18.1246 -18.1000 -18.1000 -0.3467 -0.3467 0.3205 0.3205 0.6958 0.6958 3.3400 3.3400 5.2355 5.2355 6.2410 6.2410 7.3359 7.3359 7.9316 7.9316 8.1457 8.1457 8.4406 8.4406 8.9884 8.9884 9.7312 9.7312 11.0940 11.0940 11.2419 11.2419 11.8222 11.8222 k = 0.0000 1.0221 0.2895 ( 4542 PWs) bands (ev): -39.6324 -39.6324 -39.6272 -39.6272 -18.6516 -18.6516 -18.6358 -18.6358 -18.1686 -18.1686 -18.1551 -18.1551 -18.1255 -18.1255 -18.1011 -18.1011 -0.3209 -0.3209 0.3489 0.3489 0.7232 0.7232 3.3211 3.3211 5.2577 5.2577 6.2634 6.2634 7.2709 7.2709 7.8190 7.8190 8.1068 8.1068 8.2824 8.2824 8.9850 8.9850 9.6465 9.6465 11.1393 11.1393 11.2729 11.2729 11.8434 11.8434 k = 0.0000 1.0221 0.3136 ( 4548 PWs) bands (ev): -39.6323 -39.6323 -39.6271 -39.6271 -18.6518 -18.6518 -18.6362 -18.6362 -18.1683 -18.1683 -18.1553 -18.1553 -18.1264 -18.1264 -18.1022 -18.1022 -0.2928 -0.2928 0.3796 0.3796 0.7528 0.7528 3.2993 3.2993 5.2819 5.2819 6.2857 6.2857 7.2078 7.2078 7.6870 7.6870 8.0870 8.0870 8.1208 8.1208 8.9828 8.9828 9.5610 9.5610 11.1810 11.1810 11.3004 11.3004 11.8651 11.8651 k = 0.0000 1.0221 0.3377 ( 4556 PWs) bands (ev): -39.6321 -39.6321 -39.6271 -39.6271 -18.6520 -18.6520 -18.6367 -18.6367 -18.1680 -18.1680 -18.1555 -18.1555 -18.1273 -18.1273 -18.1035 -18.1035 -0.2626 -0.2626 0.4127 0.4127 0.7846 0.7846 3.2744 3.2744 5.3081 5.3081 6.3070 6.3070 7.1472 7.1472 7.5502 7.5502 7.9567 7.9567 8.0742 8.0742 8.9802 8.9802 9.4752 9.4752 11.2199 11.2199 11.3252 11.3252 11.8872 11.8872 k = 0.0000 1.0221 0.3618 ( 4558 PWs) bands (ev): -39.6320 -39.6320 -39.6270 -39.6270 -18.6521 -18.6521 -18.6372 -18.6372 -18.1677 -18.1677 -18.1557 -18.1557 -18.1282 -18.1282 -18.1047 -18.1047 -0.2301 -0.2301 0.4480 0.4480 0.8185 0.8185 3.2461 3.2461 5.3361 5.3361 6.3257 6.3257 7.0896 7.0896 7.4152 7.4152 7.7930 7.7930 8.0621 8.0621 8.9763 8.9763 9.3897 9.3897 11.2564 11.2564 11.3481 11.3481 11.9093 11.9093 k = 0.0000 1.0221 0.3860 ( 4556 PWs) bands (ev): -39.6318 -39.6318 -39.6269 -39.6269 -18.6523 -18.6523 -18.6377 -18.6377 -18.1674 -18.1674 -18.1559 -18.1559 -18.1292 -18.1292 -18.1060 -18.1060 -0.1955 -0.1955 0.4855 0.4855 0.8544 0.8544 3.2144 3.2144 5.3661 5.3661 6.3393 6.3393 7.0354 7.0354 7.2866 7.2866 7.6300 7.6300 8.0496 8.0496 8.9706 8.9706 9.3048 9.3048 11.2913 11.2913 11.3697 11.3697 11.9315 11.9315 k = 0.0000 1.0221 0.4101 ( 4556 PWs) bands (ev): -39.6316 -39.6316 -39.6269 -39.6269 -18.6525 -18.6525 -18.6383 -18.6383 -18.1671 -18.1671 -18.1562 -18.1562 -18.1301 -18.1301 -18.1073 -18.1073 -0.1588 -0.1588 0.5251 0.5251 0.8922 0.8922 3.1789 3.1789 5.3979 5.3979 6.3440 6.3440 6.9846 6.9846 7.1695 7.1695 7.4684 7.4684 8.0355 8.0355 8.9630 8.9630 9.2211 9.2211 11.3250 11.3250 11.3908 11.3908 11.9535 11.9535 k = 0.0000 1.0221 0.4342 ( 4554 PWs) bands (ev): -39.6314 -39.6314 -39.6268 -39.6268 -18.6527 -18.6527 -18.6389 -18.6389 -18.1668 -18.1668 -18.1565 -18.1565 -18.1310 -18.1310 -18.1086 -18.1086 -0.1199 -0.1199 0.5668 0.5668 0.9319 0.9319 3.1396 3.1396 5.4315 5.4315 6.3343 6.3343 6.9369 6.9369 7.0703 7.0703 7.3092 7.3092 8.0193 8.0193 8.9532 8.9532 9.1389 9.1389 11.3579 11.3579 11.4120 11.4120 11.9753 11.9753 k = 0.0000 1.0221 0.4583 ( 4552 PWs) bands (ev): -39.6312 -39.6312 -39.6268 -39.6268 -18.6528 -18.6528 -18.6395 -18.6395 -18.1665 -18.1665 -18.1568 -18.1568 -18.1319 -18.1319 -18.1099 -18.1099 -0.0788 -0.0788 0.6106 0.6106 0.9734 0.9734 3.0964 3.0964 5.4667 5.4667 6.3035 6.3035 6.8915 6.8915 6.9956 6.9956 7.1544 7.1544 8.0005 8.0005 8.9409 8.9409 9.0592 9.0592 11.3904 11.3904 11.4340 11.4340 11.9966 11.9966 k = 0.0000 1.0221 0.4825 ( 4558 PWs) bands (ev): -39.6310 -39.6310 -39.6267 -39.6267 -18.6530 -18.6530 -18.6401 -18.6401 -18.1662 -18.1662 -18.1571 -18.1571 -18.1328 -18.1328 -18.1113 -18.1113 -0.0356 -0.0356 0.6563 0.6563 1.0165 1.0165 3.0494 3.0494 5.5036 5.5036 6.2473 6.2473 6.8459 6.8459 6.9455 6.9455 7.0115 7.0115 7.9785 7.9785 8.9246 8.9246 8.9836 8.9836 11.4226 11.4226 11.4573 11.4573 12.0175 12.0175 k = 0.0000 1.0221 0.5066 ( 4558 PWs) bands (ev): -39.6308 -39.6308 -39.6267 -39.6267 -18.6532 -18.6532 -18.6407 -18.6407 -18.1660 -18.1660 -18.1574 -18.1574 -18.1337 -18.1337 -18.1126 -18.1126 0.0097 0.0097 0.7038 0.7038 1.0611 1.0611 2.9985 2.9985 5.5418 5.5418 6.1670 6.1670 6.7770 6.7770 6.8859 6.8859 6.9373 6.9373 7.9532 7.9532 8.8902 8.8902 8.9267 8.9267 11.4548 11.4548 11.4826 11.4826 12.0378 12.0378 k = 0.0000 1.0221 0.5307 ( 4554 PWs) bands (ev): -39.6306 -39.6306 -39.6266 -39.6266 -18.6534 -18.6534 -18.6414 -18.6414 -18.1658 -18.1658 -18.1578 -18.1578 -18.1344 -18.1344 -18.1139 -18.1139 0.0570 0.0570 0.7531 0.7531 1.1070 1.1070 2.9438 2.9438 5.5812 5.5812 6.0686 6.0686 6.6548 6.6548 6.8418 6.8418 6.9314 6.9314 7.9242 7.9242 8.8248 8.8248 8.9017 8.9017 11.4868 11.4868 11.5103 11.5103 12.0578 12.0578 k = 0.0000 1.0221 0.5548 ( 4554 PWs) bands (ev): -39.6304 -39.6304 -39.6266 -39.6266 -18.6536 -18.6536 -18.6421 -18.6421 -18.1657 -18.1657 -18.1582 -18.1582 -18.1351 -18.1351 -18.1152 -18.1152 0.1064 0.1064 0.8040 0.8040 1.1541 1.1541 2.8855 2.8855 5.6214 5.6214 5.9591 5.9591 6.5148 6.5148 6.8213 6.8213 6.9439 6.9439 7.8915 7.8915 8.7562 8.7562 8.8811 8.8811 11.5191 11.5191 11.5405 11.5405 12.0772 12.0772 k = 0.0000 1.0221 0.5789 ( 4558 PWs) bands (ev): -39.6302 -39.6302 -39.6266 -39.6266 -18.6537 -18.6537 -18.6427 -18.6427 -18.1655 -18.1655 -18.1586 -18.1586 -18.1358 -18.1358 -18.1165 -18.1165 0.1579 0.1579 0.8564 0.8564 1.2022 1.2022 2.8237 2.8237 5.6613 5.6613 5.8438 5.8438 6.3745 6.3745 6.8103 6.8103 6.9672 6.9672 7.8550 7.8550 8.6899 8.6899 8.8597 8.8597 11.5522 11.5522 11.5731 11.5731 12.0963 12.0963 k = 0.0000 1.0221 0.6031 ( 4558 PWs) bands (ev): -39.6300 -39.6300 -39.6265 -39.6265 -18.6539 -18.6539 -18.6434 -18.6434 -18.1655 -18.1655 -18.1590 -18.1590 -18.1364 -18.1364 -18.1177 -18.1177 0.2113 0.2113 0.9101 0.9101 1.2510 1.2510 2.7587 2.7587 5.6966 5.6966 5.7293 5.7293 6.2389 6.2389 6.8060 6.8060 6.9971 6.9971 7.8148 7.8148 8.6266 8.6266 8.8368 8.8368 11.5866 11.5866 11.6077 11.6077 12.1151 12.1151 k = 0.0000 1.0221 0.6272 ( 4560 PWs) bands (ev): -39.6298 -39.6298 -39.6265 -39.6265 -18.6540 -18.6540 -18.6441 -18.6441 -18.1654 -18.1654 -18.1594 -18.1594 -18.1368 -18.1368 -18.1190 -18.1190 0.2667 0.2667 0.9650 0.9650 1.3002 1.3002 2.6908 2.6908 5.6065 5.6065 5.7342 5.7342 6.1134 6.1134 6.8076 6.8076 7.0308 7.0308 7.7714 7.7714 8.5664 8.5664 8.8123 8.8123 11.6227 11.6227 11.6439 11.6439 12.1337 12.1337 k = 0.0000 1.0221 0.6513 ( 4558 PWs) bands (ev): -39.6296 -39.6296 -39.6265 -39.6265 -18.6541 -18.6541 -18.6448 -18.6448 -18.1654 -18.1654 -18.1598 -18.1598 -18.1372 -18.1372 -18.1202 -18.1202 0.3241 0.3241 1.0208 1.0208 1.3496 1.3496 2.6201 2.6201 5.4909 5.4909 5.7470 5.7470 6.0122 6.0122 6.8147 6.8147 7.0662 7.0662 7.7253 7.7253 8.5096 8.5096 8.7862 8.7862 11.6608 11.6608 11.6816 11.6816 12.1522 12.1522 k = 0.0000 1.0221 0.6754 ( 4556 PWs) bands (ev): -39.6294 -39.6294 -39.6265 -39.6265 -18.6543 -18.6543 -18.6454 -18.6454 -18.1654 -18.1654 -18.1603 -18.1603 -18.1375 -18.1375 -18.1213 -18.1213 0.3833 0.3833 1.0773 1.0773 1.3989 1.3989 2.5470 2.5470 5.3780 5.3780 5.7101 5.7101 5.9660 5.9660 6.8269 6.8269 7.1013 7.1013 7.6774 7.6774 8.4561 8.4561 8.7586 8.7586 11.7005 11.7005 11.7209 11.7209 12.1709 12.1709 k = 0.0000 1.0221 0.6996 ( 4562 PWs) bands (ev): -39.6292 -39.6292 -39.6265 -39.6265 -18.6544 -18.6544 -18.6461 -18.6461 -18.1655 -18.1655 -18.1608 -18.1608 -18.1377 -18.1377 -18.1225 -18.1225 0.4445 0.4445 1.1343 1.1343 1.4474 1.4474 2.4718 2.4718 5.2690 5.2690 5.6213 5.6213 5.9771 5.9771 6.8440 6.8440 7.1342 7.1342 7.6290 7.6290 8.4060 8.4060 8.7294 8.7294 11.7411 11.7411 11.7620 11.7620 12.1897 12.1897 k = 0.0000 1.0221 0.7237 ( 4564 PWs) bands (ev): -39.6290 -39.6290 -39.6265 -39.6265 -18.6544 -18.6544 -18.6468 -18.6468 -18.1656 -18.1656 -18.1612 -18.1612 -18.1378 -18.1378 -18.1235 -18.1235 0.5074 0.5074 1.1913 1.1913 1.4950 1.4950 2.3949 2.3949 5.1649 5.1649 5.5133 5.5133 6.0133 6.0133 6.8656 6.8656 7.1624 7.1624 7.5820 7.5820 8.3594 8.3594 8.6988 8.6988 11.7820 11.7820 11.8056 11.8056 12.2090 12.2090 k = 0.0000 1.0221 0.7478 ( 4566 PWs) bands (ev): -39.6288 -39.6288 -39.6265 -39.6265 -18.6545 -18.6545 -18.6474 -18.6474 -18.1657 -18.1657 -18.1617 -18.1617 -18.1378 -18.1378 -18.1246 -18.1246 0.5721 0.5721 1.2481 1.2481 1.5409 1.5409 2.3165 2.3165 5.0665 5.0665 5.4020 5.4020 6.0588 6.0588 6.8913 6.8913 7.1823 7.1823 7.5395 7.5395 8.3165 8.3165 8.6668 8.6668 11.8224 11.8224 11.8515 11.8515 12.2288 12.2288 k = 0.0000 1.0221 0.7719 ( 4558 PWs) bands (ev): -39.6286 -39.6286 -39.6265 -39.6265 -18.6545 -18.6545 -18.6481 -18.6481 -18.1658 -18.1658 -18.1622 -18.1622 -18.1377 -18.1377 -18.1255 -18.1255 0.6385 0.6385 1.3041 1.3041 1.5846 1.5846 2.2371 2.2371 4.9747 4.9747 5.2927 5.2927 6.1089 6.1089 6.9207 6.9207 7.1895 7.1895 7.5053 7.5053 8.2779 8.2779 8.6335 8.6335 11.8621 11.8621 11.8991 11.8991 12.2493 12.2493 k = 0.0000 1.0221 0.7960 ( 4552 PWs) bands (ev): -39.6284 -39.6284 -39.6265 -39.6265 -18.6545 -18.6545 -18.6487 -18.6487 -18.1659 -18.1659 -18.1626 -18.1626 -18.1376 -18.1376 -18.1265 -18.1265 0.7066 0.7066 1.3587 1.3587 1.6256 1.6256 2.1571 2.1571 4.8903 4.8903 5.1875 5.1875 6.1617 6.1617 6.9533 6.9533 7.1800 7.1800 7.4827 7.4827 8.2442 8.2442 8.5989 8.5989 11.9011 11.9011 11.9476 11.9476 12.2704 12.2705 k = 0.0000 1.0221 0.8202 ( 4548 PWs) bands (ev): -39.6283 -39.6283 -39.6265 -39.6265 -18.6544 -18.6544 -18.6493 -18.6493 -18.1660 -18.1660 -18.1631 -18.1631 -18.1374 -18.1374 -18.1274 -18.1274 0.7763 0.7763 1.4113 1.4113 1.6630 1.6630 2.0770 2.0770 4.8142 4.8142 5.0879 5.0879 6.2163 6.2163 6.9884 6.9884 7.1533 7.1533 7.4712 7.4712 8.2164 8.2164 8.5633 8.5633 11.9393 11.9393 11.9957 11.9957 12.2924 12.2924 k = 0.0000 1.0221 0.8443 ( 4552 PWs) bands (ev): -39.6281 -39.6281 -39.6266 -39.6266 -18.6544 -18.6544 -18.6498 -18.6498 -18.1661 -18.1661 -18.1635 -18.1635 -18.1371 -18.1371 -18.1283 -18.1283 0.8474 0.8474 1.4607 1.4607 1.6963 1.6963 1.9976 1.9976 4.7470 4.7470 4.9947 4.9947 6.2724 6.2724 7.0240 7.0240 7.1149 7.1149 7.4662 7.4662 8.1956 8.1956 8.5267 8.5267 11.9763 11.9763 12.0420 12.0420 12.3151 12.3151 k = 0.0000 1.0221 0.8684 ( 4550 PWs) bands (ev): -39.6279 -39.6279 -39.6266 -39.6266 -18.6543 -18.6543 -18.6504 -18.6504 -18.1662 -18.1662 -18.1640 -18.1640 -18.1367 -18.1367 -18.1292 -18.1292 0.9199 0.9199 1.5052 1.5052 1.7246 1.7246 1.9200 1.9200 4.6898 4.6898 4.9087 4.9087 6.3298 6.3298 7.0404 7.0404 7.0884 7.0884 7.4618 7.4618 8.1827 8.1827 8.4894 8.4894 12.0120 12.0120 12.0847 12.0847 12.3382 12.3382 k = 0.0000 1.0221 0.8925 ( 4552 PWs) bands (ev): -39.6278 -39.6278 -39.6267 -39.6267 -18.6541 -18.6541 -18.6509 -18.6509 -18.1662 -18.1662 -18.1644 -18.1644 -18.1363 -18.1363 -18.1300 -18.1300 0.9937 0.9937 1.5418 1.5418 1.7474 1.7474 1.8472 1.8472 4.6433 4.6433 4.8308 4.8308 6.3883 6.3883 6.9971 6.9971 7.1176 7.1176 7.4539 7.4539 8.1784 8.1784 8.4516 8.4516 12.0459 12.0459 12.1219 12.1219 12.3614 12.3614 k = 0.0000 1.0221 0.9167 ( 4552 PWs) bands (ev): -39.6276 -39.6276 -39.6267 -39.6267 -18.6540 -18.6540 -18.6514 -18.6514 -18.1662 -18.1662 -18.1647 -18.1647 -18.1359 -18.1359 -18.1308 -18.1308 1.0687 1.0687 1.5630 1.5630 1.7640 1.7640 1.7858 1.7858 4.6081 4.6081 4.7617 4.7617 6.4478 6.4478 6.9398 6.9398 7.1586 7.1586 7.4401 7.4401 8.1829 8.1829 8.4137 8.4137 12.0777 12.0777 12.1514 12.1514 12.3842 12.3842 k = 0.0000 1.0221 0.9408 ( 4558 PWs) bands (ev): -39.6275 -39.6275 -39.6268 -39.6268 -18.6538 -18.6538 -18.6518 -18.6518 -18.1662 -18.1662 -18.1651 -18.1651 -18.1354 -18.1354 -18.1315 -18.1315 1.1444 1.1444 1.5546 1.5546 1.7497 1.7497 1.7741 1.7741 4.5848 4.5848 4.7023 4.7023 6.5081 6.5081 6.8794 6.8794 7.2011 7.2011 7.4197 7.4197 8.1955 8.1955 8.3761 8.3761 12.1070 12.1070 12.1713 12.1713 12.4057 12.4058 k = 0.0000 1.0221 0.9649 ( 4556 PWs) bands (ev): -39.6273 -39.6273 -39.6269 -39.6269 -18.6535 -18.6535 -18.6522 -18.6522 -18.1661 -18.1661 -18.1654 -18.1654 -18.1348 -18.1348 -18.1323 -18.1323 1.2208 1.2208 1.5104 1.5104 1.7444 1.7444 1.7775 1.7775 4.5738 4.5738 4.6534 4.6534 6.5692 6.5692 6.8176 6.8176 7.2437 7.2437 7.3931 7.3931 8.2151 8.2151 8.3392 8.3392 12.1329 12.1329 12.1808 12.1808 12.4254 12.4254 k = 0.0000 1.0221 0.9890 ( 4556 PWs) bands (ev): -39.6272 -39.6272 -39.6270 -39.6270 -18.6533 -18.6533 -18.6526 -18.6526 -18.1660 -18.1660 -18.1656 -18.1656 -18.1342 -18.1342 -18.1329 -18.1329 1.2973 1.2973 1.4456 1.4456 1.7542 1.7542 1.7746 1.7746 4.5754 4.5754 4.6155 4.6155 6.6308 6.6308 6.7553 6.7553 7.2852 7.2852 7.3610 7.3610 8.2406 8.2406 8.3037 8.3037 12.1547 12.1547 12.1803 12.1803 12.4425 12.4427 k = 0.0000 1.0221 1.0132 ( 4560 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6530 -18.6530 -18.1658 -18.1658 -18.1658 -18.1658 -18.1336 -18.1336 -18.1336 -18.1336 1.3729 1.3729 1.3729 1.3729 1.7661 1.7661 1.7661 1.7661 4.5893 4.5893 4.5893 4.5893 6.6930 6.6930 6.6930 6.6930 7.3246 7.3246 7.3246 7.3246 8.2705 8.2705 8.2705 8.2705 12.1710 12.1710 12.1710 12.1710 12.4570 12.4570 k = 0.0000 1.0221 1.0132 ( 4560 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6530 -18.6530 -18.1658 -18.1658 -18.1658 -18.1658 -18.1336 -18.1336 -18.1336 -18.1336 1.3729 1.3729 1.3729 1.3729 1.7661 1.7661 1.7661 1.7661 4.5893 4.5893 4.5893 4.5893 6.6930 6.6930 6.6930 6.6930 7.3246 7.3246 7.3246 7.3246 8.2705 8.2705 8.2705 8.2705 12.1710 12.1710 12.1710 12.1710 12.4570 12.4570 k = 0.0243 1.0221 1.0132 ( 4556 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6530 -18.6530 -18.1658 -18.1658 -18.1658 -18.1658 -18.1336 -18.1336 -18.1336 -18.1336 1.3730 1.3730 1.3730 1.3730 1.7657 1.7657 1.7657 1.7657 4.5891 4.5891 4.5895 4.5895 6.6953 6.6953 6.6963 6.6963 7.3199 7.3199 7.3222 7.3222 8.2724 8.2724 8.2724 8.2724 12.1646 12.1646 12.1702 12.1702 12.4565 12.4571 k = 0.0486 1.0221 1.0132 ( 4558 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6530 -18.6530 -18.1659 -18.1659 -18.1658 -18.1658 -18.1337 -18.1337 -18.1335 -18.1335 1.3733 1.3733 1.3734 1.3734 1.7645 1.7645 1.7646 1.7646 4.5889 4.5889 4.5897 4.5897 6.7032 6.7032 6.7052 6.7052 7.3082 7.3082 7.3128 7.3128 8.2778 8.2778 8.2779 8.2779 12.1517 12.1517 12.1625 12.1625 12.4560 12.4570 k = 0.0728 1.0221 1.0132 ( 4564 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6530 -18.6530 -18.1659 -18.1659 -18.1657 -18.1657 -18.1337 -18.1337 -18.1335 -18.1335 1.3737 1.3737 1.3738 1.3738 1.7627 1.7627 1.7627 1.7627 4.5886 4.5886 4.5899 4.5899 6.7165 6.7165 6.7197 6.7197 7.2902 7.2902 7.2971 7.2971 8.2861 8.2861 8.2863 8.2863 12.1333 12.1333 12.1487 12.1487 12.4554 12.4565 k = 0.0971 1.0221 1.0132 ( 4560 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6529 -18.6529 -18.1659 -18.1659 -18.1657 -18.1657 -18.1337 -18.1337 -18.1335 -18.1335 1.3743 1.3743 1.3745 1.3745 1.7602 1.7602 1.7603 1.7603 4.5885 4.5885 4.5901 4.5901 6.7349 6.7349 6.7395 6.7395 7.2666 7.2666 7.2761 7.2761 8.2964 8.2964 8.2966 8.2966 12.1111 12.1111 12.1303 12.1303 12.4558 12.4575 k = 0.1214 1.0221 1.0132 ( 4570 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6529 -18.6529 -18.1659 -18.1659 -18.1657 -18.1657 -18.1338 -18.1338 -18.1335 -18.1335 1.3749 1.3749 1.3751 1.3751 1.7571 1.7571 1.7572 1.7572 4.5887 4.5887 4.5906 4.5906 6.7579 6.7579 6.7643 6.7643 7.2385 7.2385 7.2508 7.2508 8.3074 8.3074 8.3077 8.3077 12.0869 12.0869 12.1092 12.1092 12.4564 12.4578 k = 0.1457 1.0221 1.0132 ( 4576 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6529 -18.6529 -18.1659 -18.1659 -18.1657 -18.1657 -18.1338 -18.1338 -18.1334 -18.1334 1.3755 1.3755 1.3757 1.3757 1.7536 1.7536 1.7538 1.7538 4.5892 4.5892 4.5914 4.5914 6.7848 6.7848 6.7935 6.7935 7.2070 7.2070 7.2225 7.2225 8.3180 8.3180 8.3185 8.3185 12.0625 12.0625 12.0872 12.0872 12.4570 12.4595 k = 0.1700 1.0221 1.0132 ( 4574 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6529 -18.6529 -18.1659 -18.1659 -18.1656 -18.1656 -18.1338 -18.1338 -18.1334 -18.1334 1.3759 1.3759 1.3761 1.3761 1.7499 1.7499 1.7500 1.7500 4.5903 4.5903 4.5928 4.5928 6.8148 6.8148 6.8267 6.8267 7.1734 7.1734 7.1929 7.1929 8.3272 8.3272 8.3277 8.3277 12.0397 12.0397 12.0661 12.0661 12.4583 12.4604 k = 0.1942 1.0221 1.0132 ( 4574 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6529 -18.6529 -18.1659 -18.1659 -18.1656 -18.1656 -18.1338 -18.1338 -18.1334 -18.1334 1.3759 1.3759 1.3761 1.3761 1.7459 1.7459 1.7461 1.7461 4.5921 4.5921 4.5947 4.5947 6.8463 6.8463 6.8628 6.8628 7.1390 7.1390 7.1637 7.1637 8.3339 8.3339 8.3345 8.3345 12.0198 12.0198 12.0475 12.0475 12.4600 12.4633 k = 0.2185 1.0221 1.0132 ( 4568 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6529 -18.6529 -18.6529 -18.6529 -18.1659 -18.1659 -18.1656 -18.1656 -18.1338 -18.1338 -18.1333 -18.1333 1.3755 1.3755 1.3757 1.3757 1.7421 1.7421 1.7423 1.7423 4.5946 4.5946 4.5975 4.5975 6.8767 6.8767 6.8999 6.8999 7.1059 7.1059 7.1379 7.1379 8.3376 8.3376 8.3381 8.3381 12.0041 12.0041 12.0325 12.0325 12.4617 12.4635 k = 0.2428 1.0221 1.0132 ( 4566 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6529 -18.6529 -18.6528 -18.6528 -18.1659 -18.1659 -18.1655 -18.1655 -18.1337 -18.1337 -18.1333 -18.1333 1.3744 1.3744 1.3746 1.3746 1.7385 1.7385 1.7388 1.7388 4.5982 4.5982 4.6011 4.6011 6.9016 6.9016 6.9334 6.9334 7.0788 7.0788 7.1199 7.1199 8.3376 8.3376 8.3380 8.3380 11.9934 11.9934 12.0221 12.0221 12.4624 12.4658 k = 0.2671 1.0221 1.0132 ( 4562 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6529 -18.6529 -18.6528 -18.6528 -18.1658 -18.1658 -18.1655 -18.1655 -18.1337 -18.1337 -18.1333 -18.1333 1.3725 1.3725 1.3727 1.3727 1.7354 1.7354 1.7357 1.7357 4.6028 4.6028 4.6059 4.6059 6.9142 6.9142 6.9511 6.9511 7.0698 7.0698 7.1162 7.1162 8.3338 8.3338 8.3340 8.3340 11.9882 11.9882 12.0168 12.0168 12.4621 12.4646 k = 0.2671 1.0221 1.0132 ( 4562 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6529 -18.6529 -18.6528 -18.6528 -18.1658 -18.1658 -18.1655 -18.1655 -18.1337 -18.1337 -18.1333 -18.1333 1.3725 1.3725 1.3727 1.3727 1.7354 1.7354 1.7357 1.7357 4.6028 4.6028 4.6059 4.6059 6.9142 6.9142 6.9511 6.9511 7.0698 7.0698 7.1162 7.1162 8.3338 8.3338 8.3340 8.3340 11.9882 11.9882 12.0168 12.0168 12.4611 12.4621 k = 0.2610 0.9989 1.0132 ( 4562 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6529 -18.6529 -18.1660 -18.1660 -18.1656 -18.1656 -18.1338 -18.1338 -18.1333 -18.1333 1.3786 1.3786 1.3788 1.3788 1.7464 1.7464 1.7465 1.7465 4.5874 4.5874 4.5902 4.5902 6.8962 6.8962 6.9356 6.9356 7.0477 7.0477 7.0956 7.0956 8.3566 8.3566 8.3577 8.3577 11.9923 11.9923 12.0220 12.0220 12.4689 12.4712 k = 0.2549 0.9757 1.0132 ( 4566 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6530 -18.6530 -18.1661 -18.1661 -18.1656 -18.1656 -18.1338 -18.1338 -18.1334 -18.1334 1.3780 1.3780 1.3783 1.3783 1.7573 1.7573 1.7575 1.7575 4.5818 4.5818 4.5844 4.5844 6.8776 6.8776 6.9195 6.9195 7.0271 7.0271 7.0764 7.0764 8.3809 8.3809 8.3829 8.3829 11.9837 11.9837 12.0139 12.0139 12.4896 12.4901 k = 0.2489 0.9524 1.0132 ( 4558 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6529 -18.6529 -18.1661 -18.1661 -18.1655 -18.1655 -18.1339 -18.1339 -18.1333 -18.1333 1.3707 1.3707 1.3711 1.3711 1.7683 1.7683 1.7684 1.7684 4.5861 4.5861 4.5884 4.5884 6.8568 6.8568 6.9000 6.9000 7.0108 7.0108 7.0605 7.0605 8.4067 8.4067 8.4096 8.4096 11.9610 11.9610 11.9912 11.9912 12.5209 12.5215 k = 0.2428 0.9292 1.0132 ( 4558 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6529 -18.6529 -18.1661 -18.1661 -18.1654 -18.1654 -18.1339 -18.1339 -18.1334 -18.1334 1.3570 1.3570 1.3575 1.3575 1.7791 1.7791 1.7791 1.7791 4.6001 4.6001 4.6020 4.6020 6.8324 6.8324 6.8746 6.8746 7.0019 7.0019 7.0496 7.0496 8.4342 8.4342 8.4379 8.4379 11.9255 11.9255 11.9555 11.9555 12.5601 12.5621 k = 0.2367 0.9060 1.0132 ( 4562 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6530 -18.6530 -18.6528 -18.6528 -18.1660 -18.1660 -18.1653 -18.1653 -18.1340 -18.1340 -18.1334 -18.1334 1.3374 1.3374 1.3380 1.3380 1.7894 1.7894 1.7895 1.7895 4.6235 4.6235 4.6250 4.6250 6.8034 6.8034 6.8430 6.8430 7.0010 7.0010 7.0450 7.0450 8.4634 8.4634 8.4679 8.4679 11.8798 11.8798 11.9095 11.9095 12.5982 12.5988 k = 0.2306 0.8827 1.0132 ( 4554 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6529 -18.6529 -18.6527 -18.6527 -18.1658 -18.1658 -18.1650 -18.1650 -18.1340 -18.1340 -18.1334 -18.1334 1.3123 1.3123 1.3130 1.3130 1.7991 1.7991 1.7991 1.7991 4.6561 4.6561 4.6570 4.6570 6.7697 6.7697 6.8063 6.8063 7.0075 7.0075 7.0473 7.0473 8.4942 8.4942 8.4996 8.4996 11.8264 11.8264 11.8560 11.8560 12.6242 12.6251 k = 0.2246 0.8595 1.0132 ( 4556 PWs) bands (ev): -39.6272 -39.6272 -39.6272 -39.6272 -18.6528 -18.6528 -18.6525 -18.6525 -18.1656 -18.1656 -18.1648 -18.1648 -18.1340 -18.1340 -18.1334 -18.1334 1.2824 1.2824 1.2832 1.2832 1.8077 1.8077 1.8078 1.8078 4.6971 4.6971 4.6975 4.6975 6.7319 6.7319 6.7659 6.7659 7.0202 7.0202 7.0564 7.0564 8.5268 8.5268 8.5329 8.5329 11.7676 11.7676 11.7972 11.7972 12.6374 12.6386 k = 0.2185 0.8363 1.0132 ( 4552 PWs) bands (ev): -39.6272 -39.6272 -39.6272 -39.6272 -18.6526 -18.6526 -18.6524 -18.6524 -18.1654 -18.1654 -18.1644 -18.1644 -18.1340 -18.1340 -18.1333 -18.1333 1.2483 1.2483 1.2492 1.2492 1.8153 1.8153 1.8153 1.8153 4.7458 4.7458 4.7462 4.7462 6.6909 6.6909 6.7231 6.7231 7.0385 7.0385 7.0718 7.0718 8.5610 8.5610 8.5679 8.5679 11.7049 11.7049 11.7347 11.7347 12.6442 12.6459 k = 0.2124 0.8131 1.0132 ( 4552 PWs) bands (ev): -39.6272 -39.6272 -39.6272 -39.6272 -18.6525 -18.6525 -18.6521 -18.6521 -18.1651 -18.1651 -18.1640 -18.1640 -18.1340 -18.1340 -18.1333 -18.1333 1.2106 1.2106 1.2116 1.2116 1.8215 1.8215 1.8215 1.8215 4.8013 4.8013 4.8027 4.8027 6.6476 6.6476 6.6789 6.6789 7.0619 7.0619 7.0930 7.0930 8.5969 8.5969 8.6045 8.6045 11.6398 11.6398 11.6698 11.6698 12.6477 12.6482 k = 0.2064 0.7898 1.0132 ( 4552 PWs) bands (ev): -39.6273 -39.6273 -39.6273 -39.6273 -18.6523 -18.6523 -18.6519 -18.6519 -18.1647 -18.1647 -18.1636 -18.1636 -18.1340 -18.1340 -18.1333 -18.1333 1.1699 1.1699 1.1710 1.1710 1.8264 1.8264 1.8264 1.8264 4.8632 4.8632 4.8657 4.8657 6.6030 6.6030 6.6340 6.6340 7.0901 7.0901 7.1195 7.1195 8.6343 8.6343 8.6426 8.6426 11.5731 11.5731 11.6034 11.6034 12.6494 12.6497 k = 0.2003 0.7666 1.0132 ( 4548 PWs) bands (ev): -39.6273 -39.6273 -39.6273 -39.6273 -18.6520 -18.6520 -18.6516 -18.6516 -18.1643 -18.1643 -18.1631 -18.1631 -18.1340 -18.1340 -18.1332 -18.1332 1.1268 1.1268 1.1280 1.1280 1.8299 1.8299 1.8300 1.8300 4.9306 4.9306 4.9346 4.9346 6.5579 6.5579 6.5894 6.5894 7.1229 7.1229 7.1511 7.1511 8.6732 8.6732 8.6823 8.6823 11.5057 11.5057 11.5365 11.5365 12.6498 12.6503 k = 0.1942 0.7434 1.0132 ( 4548 PWs) bands (ev): -39.6274 -39.6274 -39.6274 -39.6274 -18.6518 -18.6518 -18.6514 -18.6514 -18.1638 -18.1638 -18.1626 -18.1626 -18.1340 -18.1340 -18.1332 -18.1332 1.0817 1.0817 1.0829 1.0829 1.8320 1.8320 1.8322 1.8322 5.0025 5.0025 5.0083 5.0083 6.5134 6.5134 6.5459 6.5459 7.1600 7.1600 7.1874 7.1874 8.7134 8.7134 8.7234 8.7234 11.4382 11.4382 11.4695 11.4695 12.6491 12.6495 k = 0.1882 0.7201 1.0132 ( 4552 PWs) bands (ev): -39.6275 -39.6275 -39.6275 -39.6275 -18.6515 -18.6515 -18.6511 -18.6511 -18.1634 -18.1634 -18.1621 -18.1621 -18.1339 -18.1339 -18.1331 -18.1331 1.0351 1.0351 1.0364 1.0364 1.8327 1.8327 1.8330 1.8330 5.0779 5.0779 5.0857 5.0857 6.4704 6.4704 6.5045 6.5045 7.2014 7.2014 7.2281 7.2281 8.7550 8.7550 8.7658 8.7658 11.3711 11.3711 11.4030 11.4030 12.6476 12.6479 k = 0.1821 0.6969 1.0132 ( 4556 PWs) bands (ev): -39.6275 -39.6275 -39.6275 -39.6275 -18.6512 -18.6512 -18.6507 -18.6507 -18.1629 -18.1629 -18.1616 -18.1616 -18.1338 -18.1338 -18.1330 -18.1330 0.9875 0.9875 0.9888 0.9888 1.8322 1.8322 1.8325 1.8325 5.1552 5.1552 5.1655 5.1655 6.4301 6.4301 6.4664 6.4664 7.2468 7.2468 7.2732 7.2732 8.7977 8.7977 8.8094 8.8094 11.3050 11.3050 11.3376 11.3376 12.6453 12.6456 k = 0.1760 0.6737 1.0132 ( 4560 PWs) bands (ev): -39.6276 -39.6276 -39.6276 -39.6276 -18.6509 -18.6509 -18.6504 -18.6504 -18.1623 -18.1623 -18.1610 -18.1610 -18.1337 -18.1337 -18.1329 -18.1329 0.9392 0.9392 0.9406 0.9406 1.8304 1.8304 1.8308 1.8308 5.2328 5.2328 5.2461 5.2461 6.3942 6.3942 6.4333 6.4333 7.2963 7.2963 7.3223 7.3223 8.8414 8.8414 8.8542 8.8542 11.2401 11.2401 11.2735 11.2735 12.6426 12.6429 k = 0.1700 0.6504 1.0132 ( 4564 PWs) bands (ev): -39.6277 -39.6277 -39.6277 -39.6277 -18.6506 -18.6506 -18.6500 -18.6500 -18.1618 -18.1618 -18.1604 -18.1604 -18.1336 -18.1336 -18.1328 -18.1328 0.8906 0.8906 0.8920 0.8920 1.8275 1.8275 1.8280 1.8280 5.3084 5.3084 5.3251 5.3251 6.3647 6.3647 6.4071 6.4071 7.3495 7.3495 7.3752 7.3752 8.8861 8.8861 8.9000 8.9000 11.1770 11.1770 11.2113 11.2113 12.6391 12.6394 k = 0.1639 0.6272 1.0132 ( 4566 PWs) bands (ev): -39.6278 -39.6278 -39.6278 -39.6278 -18.6502 -18.6502 -18.6497 -18.6497 -18.1613 -18.1613 -18.1598 -18.1598 -18.1334 -18.1334 -18.1326 -18.1326 0.8419 0.8419 0.8433 0.8433 1.8236 1.8236 1.8241 1.8241 5.3792 5.3792 5.3997 5.3997 6.3443 6.3443 6.3904 6.3904 7.4063 7.4063 7.4319 7.4319 8.9316 8.9316 8.9467 8.9467 11.1158 11.1158 11.1512 11.1512 12.6351 12.6354 k = 0.1578 0.6040 1.0132 ( 4570 PWs) bands (ev): -39.6279 -39.6279 -39.6279 -39.6279 -18.6499 -18.6499 -18.6493 -18.6493 -18.1607 -18.1607 -18.1593 -18.1593 -18.1332 -18.1332 -18.1324 -18.1324 0.7935 0.7935 0.7949 0.7949 1.8188 1.8188 1.8193 1.8193 5.4420 5.4420 5.4663 5.4663 6.3365 6.3365 6.3863 6.3863 7.4667 7.4667 7.4920 7.4920 8.9776 8.9776 8.9942 8.9942 11.0570 11.0570 11.0935 11.0935 12.6306 12.6309 k = 0.1517 0.5808 1.0132 ( 4574 PWs) bands (ev): -39.6279 -39.6279 -39.6279 -39.6279 -18.6495 -18.6495 -18.6489 -18.6489 -18.1602 -18.1602 -18.1587 -18.1587 -18.1330 -18.1330 -18.1321 -18.1321 0.7455 0.7455 0.7470 0.7470 1.8131 1.8131 1.8137 1.8137 5.4934 5.4934 5.5208 5.5208 6.3451 6.3451 6.3979 6.3979 7.5303 7.5303 7.5554 7.5554 9.0241 9.0241 9.0422 9.0422 11.0008 11.0008 11.0386 11.0386 12.6255 12.6259 k = 0.1457 0.5575 1.0132 ( 4566 PWs) bands (ev): -39.6280 -39.6280 -39.6280 -39.6280 -18.6491 -18.6491 -18.6485 -18.6485 -18.1596 -18.1596 -18.1582 -18.1582 -18.1326 -18.1326 -18.1318 -18.1318 0.6983 0.6983 0.6998 0.6998 1.8067 1.8067 1.8073 1.8073 5.5306 5.5306 5.5598 5.5598 6.3734 6.3734 6.4279 6.4279 7.5972 7.5972 7.6220 7.6220 9.0708 9.0708 9.0908 9.0908 10.9475 10.9475 10.9868 10.9868 12.6200 12.6204 k = 0.1396 0.5343 1.0132 ( 4566 PWs) bands (ev): -39.6281 -39.6281 -39.6281 -39.6281 -18.6487 -18.6487 -18.6481 -18.6481 -18.1591 -18.1591 -18.1577 -18.1577 -18.1323 -18.1323 -18.1314 -18.1314 0.6520 0.6520 0.6535 0.6535 1.7997 1.7997 1.8003 1.8003 5.5526 5.5526 5.5817 5.5817 6.4226 6.4226 6.4770 6.4770 7.6671 7.6671 7.6914 7.6914 9.1175 9.1175 9.1396 9.1396 10.8974 10.8974 10.9384 10.9384 12.6144 12.6146 k = 0.1335 0.5111 1.0132 ( 4558 PWs) bands (ev): -39.6282 -39.6282 -39.6282 -39.6282 -18.6483 -18.6483 -18.6477 -18.6477 -18.1586 -18.1586 -18.1572 -18.1572 -18.1318 -18.1318 -18.1310 -18.1310 0.6068 0.6068 0.6083 0.6083 1.7922 1.7922 1.7929 1.7929 5.5603 5.5603 5.5879 5.5879 6.4911 6.4911 6.5439 6.5439 7.7399 7.7399 7.7636 7.7636 9.1641 9.1641 9.1885 9.1885 10.8509 10.8509 10.8937 10.8937 12.6077 12.6081 k = 0.1275 0.4878 1.0132 ( 4558 PWs) bands (ev): -39.6283 -39.6283 -39.6283 -39.6283 -18.6479 -18.6479 -18.6473 -18.6473 -18.1582 -18.1582 -18.1568 -18.1568 -18.1314 -18.1314 -18.1306 -18.1306 0.5628 0.5628 0.5642 0.5642 1.7842 1.7842 1.7850 1.7850 5.5562 5.5562 5.5814 5.5814 6.5756 6.5756 6.6259 6.6259 7.8153 7.8153 7.8383 7.8383 9.2103 9.2103 9.2374 9.2374 10.8082 10.8082 10.8530 10.8530 12.6008 12.6013 k = 0.1214 0.4646 1.0132 ( 4558 PWs) bands (ev): -39.6284 -39.6284 -39.6284 -39.6284 -18.6475 -18.6475 -18.6469 -18.6469 -18.1578 -18.1578 -18.1564 -18.1564 -18.1309 -18.1309 -18.1301 -18.1301 0.5202 0.5202 0.5216 0.5216 1.7760 1.7760 1.7767 1.7767 5.5431 5.5431 5.5656 5.5656 6.6724 6.6724 6.7197 6.7197 7.8934 7.8934 7.9153 7.9153 9.2558 9.2558 9.2859 9.2859 10.7695 10.7695 10.8166 10.8166 12.5930 12.5939 k = 0.1153 0.4414 1.0132 ( 4558 PWs) bands (ev): -39.6285 -39.6285 -39.6285 -39.6285 -18.6471 -18.6471 -18.6465 -18.6465 -18.1574 -18.1574 -18.1561 -18.1561 -18.1303 -18.1303 -18.1296 -18.1296 0.4791 0.4791 0.4805 0.4805 1.7675 1.7675 1.7683 1.7683 5.5236 5.5236 5.5436 5.5436 6.7779 6.7779 6.8223 6.8223 7.9738 7.9738 7.9944 7.9944 9.3005 9.3005 9.3340 9.3340 10.7353 10.7353 10.7848 10.7848 12.5848 12.5853 k = 0.1093 0.4181 1.0132 ( 4562 PWs) bands (ev): -39.6286 -39.6286 -39.6286 -39.6286 -18.6467 -18.6467 -18.6461 -18.6461 -18.1570 -18.1570 -18.1558 -18.1558 -18.1297 -18.1297 -18.1291 -18.1291 0.4396 0.4396 0.4409 0.4409 1.7589 1.7589 1.7597 1.7597 5.5001 5.5001 5.5176 5.5176 6.8895 6.8895 6.9309 6.9309 8.0564 8.0564 8.0753 8.0753 9.3442 9.3442 9.3814 9.3814 10.7058 10.7058 10.7579 10.7579 12.5751 12.5764 k = 0.1032 0.3949 1.0132 ( 4564 PWs) bands (ev): -39.6287 -39.6287 -39.6287 -39.6287 -18.6463 -18.6463 -18.6457 -18.6457 -18.1567 -18.1567 -18.1556 -18.1556 -18.1291 -18.1291 -18.1285 -18.1285 0.4018 0.4018 0.4030 0.4030 1.7503 1.7503 1.7510 1.7510 5.4739 5.4739 5.4893 5.4893 7.0049 7.0049 7.0435 7.0435 8.1411 8.1411 8.1579 8.1579 9.3868 9.3868 9.4281 9.4281 10.6814 10.6814 10.7362 10.7362 12.5641 12.5656 k = 0.0971 0.3717 1.0132 ( 4560 PWs) bands (ev): -39.6288 -39.6288 -39.6288 -39.6288 -18.6460 -18.6460 -18.6454 -18.6454 -18.1564 -18.1564 -18.1554 -18.1554 -18.1284 -18.1284 -18.1279 -18.1279 0.3657 0.3657 0.3670 0.3670 1.7417 1.7417 1.7424 1.7424 5.4465 5.4465 5.4600 5.4600 7.1224 7.1224 7.1582 7.1582 8.2276 8.2276 8.2418 8.2418 9.4282 9.4282 9.4741 9.4741 10.6622 10.6622 10.7199 10.7199 12.5501 12.5523 k = 0.0910 0.3485 1.0132 ( 4572 PWs) bands (ev): -39.6289 -39.6289 -39.6289 -39.6289 -18.6456 -18.6456 -18.6451 -18.6451 -18.1562 -18.1562 -18.1552 -18.1552 -18.1277 -18.1277 -18.1273 -18.1273 0.3316 0.3316 0.3328 0.3328 1.7333 1.7333 1.7340 1.7340 5.4185 5.4185 5.4304 5.4304 7.2402 7.2402 7.2733 7.2733 8.3155 8.3155 8.3266 8.3266 9.4687 9.4687 9.5193 9.5193 10.6485 10.6485 10.7090 10.7090 12.5314 12.5325 k = 0.0850 0.3252 1.0132 ( 4584 PWs) bands (ev): -39.6290 -39.6290 -39.6290 -39.6290 -18.6453 -18.6453 -18.6448 -18.6448 -18.1561 -18.1561 -18.1551 -18.1551 -18.1271 -18.1271 -18.1267 -18.1267 0.2994 0.2994 0.3005 0.3005 1.7250 1.7250 1.7257 1.7257 5.3908 5.3908 5.4012 5.4012 7.3572 7.3572 7.3875 7.3875 8.4045 8.4045 8.4119 8.4119 9.5085 9.5085 9.5642 9.5642 10.6404 10.6404 10.7037 10.7037 12.5052 12.5077 k = 0.0789 0.3020 1.0132 ( 4586 PWs) bands (ev): -39.6290 -39.6290 -39.6290 -39.6290 -18.6450 -18.6450 -18.6444 -18.6444 -18.1559 -18.1559 -18.1550 -18.1550 -18.1264 -18.1264 -18.1260 -18.1260 0.2691 0.2691 0.2702 0.2702 1.7170 1.7170 1.7177 1.7177 5.3637 5.3637 5.3729 5.3729 7.4719 7.4719 7.4994 7.4994 8.4938 8.4938 8.4971 8.4971 9.5482 9.5482 9.6091 9.6091 10.6380 10.6380 10.7039 10.7039 12.4630 12.4652 k = 0.0728 0.2788 1.0132 ( 4590 PWs) bands (ev): -39.6291 -39.6291 -39.6291 -39.6291 -18.6447 -18.6447 -18.6442 -18.6442 -18.1558 -18.1558 -18.1550 -18.1550 -18.1257 -18.1257 -18.1254 -18.1254 0.2410 0.2410 0.2419 0.2419 1.7094 1.7094 1.7100 1.7100 5.3378 5.3378 5.3458 5.3458 7.5832 7.5832 7.6078 7.6078 8.5814 8.5814 8.5827 8.5827 9.5889 9.5889 9.6548 9.6548 10.6410 10.6410 10.7093 10.7093 12.4071 12.4084 k = 0.0668 0.2555 1.0132 ( 4594 PWs) bands (ev): -39.6292 -39.6292 -39.6292 -39.6292 -18.6444 -18.6444 -18.6439 -18.6439 -18.1557 -18.1557 -18.1549 -18.1549 -18.1251 -18.1251 -18.1248 -18.1248 0.2149 0.2149 0.2158 0.2158 1.7022 1.7022 1.7027 1.7027 5.3131 5.3131 5.3202 5.3202 7.6898 7.6898 7.7114 7.7114 8.6638 8.6638 8.6699 8.6699 9.6315 9.6315 9.7024 9.7024 10.6493 10.6493 10.7196 10.7196 12.3386 12.3389 k = 0.0607 0.2323 1.0132 ( 4594 PWs) bands (ev): -39.6293 -39.6293 -39.6293 -39.6293 -18.6441 -18.6441 -18.6437 -18.6437 -18.1556 -18.1556 -18.1549 -18.1549 -18.1245 -18.1245 -18.1242 -18.1242 0.1910 0.1910 0.1918 0.1918 1.6954 1.6954 1.6959 1.6959 5.2901 5.2901 5.2963 5.2963 7.7907 7.7907 7.8092 7.8092 8.7430 8.7430 8.7539 8.7539 9.6778 9.6778 9.7529 9.7529 10.6622 10.6622 10.7340 10.7340 12.2633 12.2670 k = 0.0546 0.2091 1.0132 ( 4582 PWs) bands (ev): -39.6293 -39.6293 -39.6293 -39.6293 -18.6438 -18.6438 -18.6434 -18.6434 -18.1555 -18.1555 -18.1549 -18.1549 -18.1238 -18.1238 -18.1236 -18.1236 0.1692 0.1692 0.1700 0.1700 1.6891 1.6891 1.6896 1.6896 5.2690 5.2690 5.2743 5.2743 7.8848 7.8848 7.9003 7.9003 8.8175 8.8175 8.8327 8.8327 9.7295 9.7295 9.8078 9.8078 10.6791 10.6791 10.7520 10.7520 12.1846 12.1862 k = 0.0486 0.1858 1.0132 ( 4578 PWs) bands (ev): -39.6294 -39.6294 -39.6294 -39.6294 -18.6436 -18.6436 -18.6432 -18.6432 -18.1554 -18.1554 -18.1549 -18.1549 -18.1233 -18.1233 -18.1231 -18.1231 0.1497 0.1497 0.1503 0.1503 1.6833 1.6833 1.6838 1.6838 5.2497 5.2497 5.2543 5.2543 7.9712 7.9712 7.9838 7.9838 8.8859 8.8859 8.9043 8.9043 9.7879 9.7879 9.8680 9.8680 10.6992 10.6992 10.7724 10.7724 12.1037 12.1046 k = 0.0425 0.1626 1.0132 ( 4574 PWs) bands (ev): -39.6294 -39.6294 -39.6294 -39.6294 -18.6433 -18.6433 -18.6430 -18.6430 -18.1553 -18.1553 -18.1549 -18.1549 -18.1228 -18.1228 -18.1226 -18.1226 0.1324 0.1324 0.1330 0.1330 1.6782 1.6782 1.6786 1.6786 5.2325 5.2325 5.2364 5.2364 8.0490 8.0490 8.0590 8.0590 8.9467 8.9467 8.9669 8.9669 9.8542 9.8542 9.9341 9.9341 10.7214 10.7214 10.7941 10.7941 12.0229 12.0252 k = 0.0364 0.1394 1.0132 ( 4566 PWs) bands (ev): -39.6295 -39.6295 -39.6295 -39.6295 -18.6431 -18.6431 -18.6429 -18.6429 -18.1553 -18.1553 -18.1549 -18.1549 -18.1223 -18.1223 -18.1222 -18.1222 0.1173 0.1173 0.1178 0.1178 1.6736 1.6736 1.6740 1.6740 5.2174 5.2174 5.2207 5.2207 8.1177 8.1177 8.1253 8.1253 8.9990 8.9990 9.0195 9.0195 9.9281 9.9281 10.0058 10.0058 10.7444 10.7444 10.8156 10.8156 11.9431 11.9453 k = 0.0303 0.1162 1.0132 ( 4558 PWs) bands (ev): -39.6295 -39.6295 -39.6295 -39.6295 -18.6430 -18.6430 -18.6427 -18.6427 -18.1552 -18.1552 -18.1549 -18.1549 -18.1219 -18.1219 -18.1218 -18.1218 0.1046 0.1046 0.1050 0.1050 1.6698 1.6698 1.6701 1.6701 5.2046 5.2046 5.2073 5.2073 8.1766 8.1766 8.1822 8.1822 9.0426 9.0426 9.0616 9.0616 10.0079 10.0079 10.0810 10.0810 10.7670 10.7670 10.8353 10.8353 11.8648 11.8670 k = 0.0243 0.0929 1.0132 ( 4556 PWs) bands (ev): -39.6295 -39.6295 -39.6295 -39.6295 -18.6428 -18.6428 -18.6426 -18.6426 -18.1552 -18.1552 -18.1549 -18.1549 -18.1215 -18.1215 -18.1215 -18.1215 0.0941 0.0941 0.0945 0.0945 1.6666 1.6666 1.6668 1.6668 5.1940 5.1940 5.1961 5.1961 8.2253 8.2253 8.2293 8.2293 9.0773 9.0773 9.0937 9.0937 10.0901 10.0901 10.1563 10.1563 10.7878 10.7878 10.8510 10.8510 11.7911 11.7926 k = 0.0182 0.0697 1.0132 ( 4556 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6426 -18.6426 -18.1552 -18.1552 -18.1550 -18.1550 -18.1213 -18.1213 -18.1212 -18.1212 0.0860 0.0860 0.0863 0.0863 1.6640 1.6640 1.6642 1.6642 5.1858 5.1858 5.1874 5.1874 8.2636 8.2636 8.2662 8.2662 9.1039 9.1039 9.1168 9.1168 10.1698 10.1698 10.2258 10.2258 10.8058 10.8058 10.8609 10.8609 11.7253 11.7260 k = 0.0121 0.0465 1.0132 ( 4548 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6426 -18.6426 -18.6425 -18.6425 -18.1551 -18.1551 -18.1550 -18.1550 -18.1211 -18.1211 -18.1210 -18.1210 0.0802 0.0802 0.0804 0.0804 1.6622 1.6622 1.6624 1.6624 5.1800 5.1800 5.1811 5.1811 8.2912 8.2912 8.2927 8.2927 9.1229 9.1229 9.1317 9.1317 10.2401 10.2401 10.2819 10.2819 10.8212 10.8212 10.8633 10.8633 11.6729 11.6732 k = 0.0061 0.0232 1.0132 ( 4536 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1551 -18.1551 -18.1550 -18.1550 -18.1209 -18.1209 -18.1209 -18.1209 0.0768 0.0768 0.0768 0.0768 1.6612 1.6612 1.6612 1.6612 5.1767 5.1767 5.1772 5.1772 8.3079 8.3079 8.3087 8.3087 9.1350 9.1350 9.1394 9.1394 10.2928 10.2928 10.3156 10.3156 10.8349 10.8349 10.8582 10.8582 11.6374 11.6376 k = 0.0000 0.0000 1.0132 ( 4532 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1550 -18.1550 -18.1550 -18.1550 -18.1209 -18.1209 -18.1209 -18.1209 0.0756 0.0756 0.0756 0.0756 1.6608 1.6608 1.6608 1.6608 5.1757 5.1757 5.1757 5.1757 8.3137 8.3137 8.3137 8.3137 9.1404 9.1404 9.1404 9.1404 10.3197 10.3197 10.3197 10.3197 10.8477 10.8477 10.8477 10.8477 11.6252 11.6252 k = 0.0000 0.0000 1.0132 ( 4532 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1550 -18.1550 -18.1550 -18.1550 -18.1209 -18.1209 -18.1209 -18.1209 0.0756 0.0756 0.0756 0.0756 1.6608 1.6608 1.6608 1.6608 5.1757 5.1757 5.1757 5.1757 8.3137 8.3137 8.3137 8.3137 9.1404 9.1404 9.1404 9.1404 10.3197 10.3197 10.3197 10.3197 10.8477 10.8477 10.8477 10.8477 11.6252 11.6252 k = 0.0000 0.0000 0.9890 ( 4536 PWs) bands (ev): -39.6297 -39.6297 -39.6295 -39.6295 -18.6429 -18.6429 -18.6420 -18.6420 -18.1556 -18.1556 -18.1544 -18.1544 -18.1212 -18.1212 -18.1206 -18.1206 -0.0360 -0.0360 0.1891 0.1891 1.5740 1.5740 1.7472 1.7472 5.0916 5.0916 5.2650 5.2650 8.3086 8.3086 8.3180 8.3180 9.1144 9.1144 9.1640 9.1640 10.2443 10.2443 10.3980 10.3980 10.7806 10.7806 10.9187 10.9187 11.5039 11.5039 k = 0.0000 0.0000 0.9649 ( 4552 PWs) bands (ev): -39.6298 -39.6298 -39.6294 -39.6294 -18.6433 -18.6433 -18.6415 -18.6415 -18.1561 -18.1561 -18.1537 -18.1537 -18.1215 -18.1215 -18.1203 -18.1203 -0.1458 -0.1458 0.3042 0.3042 1.4871 1.4871 1.8327 1.8327 5.0134 5.0134 5.3590 5.3590 8.3022 8.3022 8.3216 8.3216 9.0863 9.0863 9.1845 9.1845 10.1727 10.1727 10.4784 10.4784 10.7185 10.7185 10.9929 10.9929 11.3849 11.3849 k = 0.0000 0.0000 0.9408 ( 4552 PWs) bands (ev): -39.6300 -39.6300 -39.6293 -39.6293 -18.6437 -18.6437 -18.6409 -18.6409 -18.1566 -18.1566 -18.1529 -18.1529 -18.1218 -18.1218 -18.1200 -18.1200 -0.2535 -0.2535 0.4208 0.4208 1.4004 1.4004 1.9169 1.9169 4.9417 4.9417 5.4572 5.4572 8.2944 8.2944 8.3251 8.3251 9.0567 9.0567 9.2014 9.2014 10.1058 10.1058 10.5599 10.5599 10.6620 10.6620 11.0681 11.0681 11.2696 11.2696 k = 0.0000 0.0000 0.9167 ( 4560 PWs) bands (ev): -39.6301 -39.6301 -39.6292 -39.6292 -18.6440 -18.6440 -18.6403 -18.6403 -18.1569 -18.1569 -18.1520 -18.1520 -18.1221 -18.1221 -18.1197 -18.1197 -0.3591 -0.3591 0.5387 0.5387 1.3143 1.3143 1.9991 1.9991 4.8773 4.8773 5.5591 5.5591 8.2846 8.2846 8.3284 8.3284 9.0258 9.0258 9.2140 9.2140 10.0442 10.0442 10.6118 10.6118 10.6413 10.6413 11.1186 11.1186 11.1834 11.1834 k = 0.0000 0.0000 0.8925 ( 4570 PWs) bands (ev): -39.6303 -39.6303 -39.6292 -39.6292 -18.6443 -18.6443 -18.6397 -18.6397 -18.1572 -18.1572 -18.1510 -18.1510 -18.1224 -18.1224 -18.1194 -18.1194 -0.4625 -0.4625 0.6575 0.6575 1.2290 1.2290 2.0789 2.0789 4.8211 4.8211 5.6643 5.6643 8.2724 8.2724 8.3318 8.3318 8.9939 8.9939 9.2216 9.2216 9.9887 9.9887 10.5689 10.5689 10.7212 10.7212 11.0299 11.0299 11.2403 11.2403 k = 0.0000 0.0000 0.8684 ( 4566 PWs) bands (ev): -39.6304 -39.6304 -39.6291 -39.6291 -18.6445 -18.6445 -18.6390 -18.6390 -18.1574 -18.1574 -18.1500 -18.1500 -18.1226 -18.1226 -18.1191 -18.1191 -0.5637 -0.5637 0.7769 0.7769 1.1447 1.1447 2.1557 2.1557 4.7738 4.7738 5.7725 5.7725 8.2577 8.2577 8.3356 8.3356 8.9613 8.9613 9.2239 9.2239 9.9398 9.9398 10.5336 10.5336 10.7977 10.7977 10.9219 10.9219 11.3206 11.3206 k = 0.0000 0.0000 0.8443 ( 4554 PWs) bands (ev): -39.6306 -39.6306 -39.6290 -39.6290 -18.6446 -18.6446 -18.6382 -18.6382 -18.1575 -18.1575 -18.1489 -18.1489 -18.1228 -18.1228 -18.1188 -18.1188 -0.6625 -0.6625 0.8966 0.8966 1.0617 1.0617 2.2290 2.2290 4.7365 4.7365 5.8832 5.8832 8.2400 8.2400 8.3399 8.3399 8.9281 8.9281 9.2202 9.2202 9.8981 9.8981 10.5063 10.5063 10.8098 10.8098 10.8752 10.8752 11.4028 11.4028 k = 0.0000 0.0000 0.8202 ( 4566 PWs) bands (ev): -39.6308 -39.6308 -39.6290 -39.6290 -18.6448 -18.6448 -18.6375 -18.6375 -18.1576 -18.1576 -18.1478 -18.1478 -18.1230 -18.1230 -18.1185 -18.1185 -0.7590 -0.7590 0.9801 0.9801 1.0158 1.0158 2.2983 2.2983 4.7101 4.7101 5.9961 5.9961 8.2190 8.2190 8.3445 8.3445 8.8945 8.8945 9.2105 9.2105 9.8640 9.8640 10.4865 10.4865 10.7071 10.7071 10.9407 10.9407 11.4852 11.4852 k = 0.0000 0.0000 0.7960 ( 4566 PWs) bands (ev): -39.6310 -39.6310 -39.6290 -39.6290 -18.6448 -18.6448 -18.6367 -18.6367 -18.1577 -18.1577 -18.1466 -18.1466 -18.1231 -18.1231 -18.1182 -18.1182 -0.8530 -0.8530 0.9000 0.9000 1.1339 1.1339 2.3636 2.3636 4.6953 4.6953 6.1107 6.1107 8.1948 8.1948 8.3498 8.3498 8.8607 8.8607 9.1947 9.1947 9.8377 9.8377 10.4711 10.4711 10.6091 10.6091 11.0007 11.0007 11.5669 11.5669 k = 0.0000 0.0000 0.7719 ( 4576 PWs) bands (ev): -39.6311 -39.6311 -39.6289 -39.6289 -18.6449 -18.6449 -18.6359 -18.6359 -18.1577 -18.1577 -18.1453 -18.1453 -18.1233 -18.1233 -18.1179 -18.1179 -0.9445 -0.9445 0.8216 0.8216 1.2499 1.2499 2.4251 2.4251 4.6929 4.6929 6.2268 6.2268 8.1671 8.1671 8.3558 8.3558 8.8267 8.8267 9.1734 9.1734 9.8193 9.8193 10.4432 10.4432 10.5341 10.5341 11.0528 11.0528 11.6470 11.6470 k = 0.0000 0.0000 0.7478 ( 4576 PWs) bands (ev): -39.6313 -39.6313 -39.6289 -39.6289 -18.6449 -18.6449 -18.6350 -18.6350 -18.1576 -18.1576 -18.1440 -18.1440 -18.1233 -18.1233 -18.1176 -18.1176 -1.0336 -1.0336 0.7450 0.7450 1.3625 1.3625 2.4835 2.4835 4.7034 4.7034 6.3441 6.3441 8.1363 8.1363 8.3624 8.3624 8.7927 8.7927 9.1470 9.1470 9.8087 9.8087 10.3709 10.3709 10.5137 10.5137 11.0962 11.0962 11.7247 11.7247 k = 0.0000 0.0000 0.7237 ( 4578 PWs) bands (ev): -39.6315 -39.6315 -39.6289 -39.6289 -18.6449 -18.6449 -18.6341 -18.6341 -18.1575 -18.1575 -18.1427 -18.1427 -18.1233 -18.1233 -18.1173 -18.1173 -1.1201 -1.1201 0.6702 0.6702 1.4700 1.4700 2.5401 2.5401 4.7271 4.7271 6.4620 6.4620 8.1025 8.1025 8.3697 8.3697 8.7586 8.7586 9.1165 9.1165 9.8056 9.8056 10.2794 10.2794 10.5224 10.5224 11.1309 11.1309 11.7991 11.7991 k = 0.0000 0.0000 0.6996 ( 4570 PWs) bands (ev): -39.6317 -39.6317 -39.6289 -39.6289 -18.6448 -18.6448 -18.6332 -18.6332 -18.1574 -18.1574 -18.1414 -18.1414 -18.1232 -18.1232 -18.1169 -18.1169 -1.2041 -1.2041 0.5974 0.5974 1.5703 1.5703 2.5971 2.5971 4.7638 4.7638 6.5801 6.5801 8.0660 8.0660 8.3777 8.3777 8.7247 8.7247 9.0826 9.0826 9.8096 9.8096 10.1857 10.1857 10.5425 10.5425 11.1578 11.1578 11.8686 11.8686 k = 0.0000 0.0000 0.6754 ( 4572 PWs) bands (ev): -39.6319 -39.6319 -39.6289 -39.6289 -18.6448 -18.6448 -18.6323 -18.6323 -18.1573 -18.1573 -18.1400 -18.1400 -18.1231 -18.1231 -18.1166 -18.1166 -1.2854 -1.2854 0.5266 0.5266 1.6610 1.6610 2.6571 2.6571 4.8130 4.8130 6.6981 6.6981 8.0272 8.0272 8.3863 8.3863 8.6908 8.6908 9.0463 9.0463 9.8198 9.8198 10.0934 10.0934 10.5701 10.5701 11.1779 11.1779 11.9089 11.9205 k = 0.0000 0.0000 0.6513 ( 4580 PWs) bands (ev): -39.6321 -39.6321 -39.6289 -39.6289 -18.6447 -18.6447 -18.6314 -18.6314 -18.1572 -18.1572 -18.1387 -18.1387 -18.1229 -18.1229 -18.1163 -18.1163 -1.3641 -1.3641 0.4579 0.4579 1.7396 1.7396 2.7232 2.7232 4.8742 4.8742 6.8154 6.8154 7.9865 7.9865 8.3956 8.3956 8.6571 8.6571 9.0083 9.0083 9.8342 9.8342 10.0052 10.0052 10.6037 10.6037 11.1925 11.1925 11.8442 11.8442 k = 0.0000 0.0000 0.6272 ( 4576 PWs) bands (ev): -39.6324 -39.6324 -39.6289 -39.6289 -18.6446 -18.6446 -18.6305 -18.6305 -18.1570 -18.1570 -18.1373 -18.1373 -18.1226 -18.1226 -18.1159 -18.1159 -1.4402 -1.4402 0.3914 0.3914 1.8042 1.8042 2.7981 2.7981 4.9464 4.9464 6.9315 6.9315 7.9444 7.9444 8.4054 8.4054 8.6236 8.6236 8.9696 8.9696 9.8415 9.8415 9.9319 9.9319 10.6422 10.6422 11.2028 11.2028 11.7851 11.7851 k = 0.0000 0.0000 0.6031 ( 4576 PWs) bands (ev): -39.6326 -39.6326 -39.6290 -39.6290 -18.6444 -18.6444 -18.6296 -18.6296 -18.1569 -18.1569 -18.1360 -18.1360 -18.1223 -18.1223 -18.1155 -18.1155 -1.5135 -1.5135 0.3271 0.3271 1.8535 1.8535 2.8837 2.8837 5.0285 5.0285 7.0457 7.0457 7.9014 7.9014 8.4157 8.4157 8.5902 8.5902 8.9308 8.9308 9.7967 9.7967 9.9184 9.9184 10.6851 10.6851 11.2101 11.2101 11.7303 11.7303 k = 0.0000 0.0000 0.5789 ( 4588 PWs) bands (ev): -39.6328 -39.6328 -39.6290 -39.6290 -18.6443 -18.6443 -18.6287 -18.6287 -18.1568 -18.1568 -18.1348 -18.1348 -18.1218 -18.1218 -18.1151 -18.1151 -1.5842 -1.5842 0.2650 0.2650 1.8878 1.8878 2.9807 2.9807 5.1197 5.1197 7.1573 7.1573 7.8578 7.8578 8.4265 8.4265 8.5570 8.5570 8.8926 8.8926 9.7183 9.7183 9.9459 9.9459 10.7315 10.7315 11.2154 11.2154 11.6803 11.6803 k = 0.0000 0.0000 0.5548 ( 4592 PWs) bands (ev): -39.6330 -39.6330 -39.6290 -39.6290 -18.6441 -18.6441 -18.6277 -18.6277 -18.1567 -18.1567 -18.1336 -18.1336 -18.1213 -18.1213 -18.1146 -18.1146 -1.6522 -1.6522 0.2053 0.2053 1.9086 1.9086 3.0884 3.0884 5.2187 5.2187 7.2657 7.2657 7.8142 7.8142 8.4376 8.4376 8.5241 8.5241 8.8556 8.8556 9.6357 9.6357 9.9845 9.9845 10.7811 10.7811 11.2197 11.2197 11.6360 11.6360 k = 0.0000 0.0000 0.5307 ( 4590 PWs) bands (ev): -39.6332 -39.6332 -39.6291 -39.6291 -18.6439 -18.6439 -18.6269 -18.6269 -18.1565 -18.1565 -18.1324 -18.1324 -18.1208 -18.1208 -18.1140 -18.1140 -1.7174 -1.7174 0.1479 0.1479 1.9177 1.9177 3.2057 3.2057 5.3245 5.3245 7.3697 7.3697 7.7711 7.7711 8.4488 8.4488 8.4915 8.4915 8.8205 8.8205 9.5536 9.5536 10.0295 10.0295 10.8333 10.8333 11.2236 11.2236 11.5981 11.5981 k = 0.0000 0.0000 0.5066 ( 4598 PWs) bands (ev): -39.6334 -39.6334 -39.6291 -39.6291 -18.6438 -18.6438 -18.6260 -18.6260 -18.1565 -18.1565 -18.1314 -18.1314 -18.1202 -18.1202 -18.1133 -18.1133 -1.7798 -1.7798 0.0929 0.0929 1.9175 1.9175 3.3310 3.3310 5.4362 5.4362 7.4679 7.4679 7.7293 7.7293 8.4548 8.4548 8.4642 8.4642 8.7879 8.7879 9.4728 9.4728 10.0795 10.0795 10.8877 10.8877 11.2277 11.2277 11.5672 11.5672 k = 0.0000 0.0000 0.4825 ( 4598 PWs) bands (ev): -39.6336 -39.6336 -39.6291 -39.6291 -18.6436 -18.6436 -18.6251 -18.6251 -18.1565 -18.1565 -18.1304 -18.1304 -18.1196 -18.1196 -18.1126 -18.1126 -1.8395 -1.8395 0.0402 0.0402 1.9101 1.9101 3.4626 3.4626 5.5529 5.5529 7.5569 7.5569 7.6916 7.6916 8.4248 8.4248 8.4732 8.4732 8.7585 8.7585 9.3938 9.3938 10.1340 10.1340 10.9439 10.9439 11.2326 11.2326 11.5442 11.5442 k = 0.0000 0.0000 0.4583 ( 4594 PWs) bands (ev): -39.6338 -39.6338 -39.6292 -39.6292 -18.6434 -18.6434 -18.6242 -18.6242 -18.1564 -18.1564 -18.1294 -18.1294 -18.1190 -18.1190 -18.1118 -18.1118 -1.8963 -1.8963 -0.0100 -0.0100 1.8971 1.8971 3.5992 3.5992 5.6736 5.6736 7.6112 7.6112 7.6826 7.6826 8.3919 8.3919 8.4848 8.4848 8.7329 8.7329 9.3167 9.3167 10.1926 10.1926 11.0013 11.0013 11.2387 11.2387 11.5297 11.5297 k = 0.0000 0.0000 0.4342 ( 4582 PWs) bands (ev): -39.6340 -39.6340 -39.6292 -39.6292 -18.6432 -18.6432 -18.6234 -18.6234 -18.1564 -18.1564 -18.1285 -18.1285 -18.1184 -18.1184 -18.1108 -18.1108 -1.9504 -1.9504 -0.0577 -0.0577 1.8802 1.8802 3.7396 3.7396 5.7976 5.7976 7.5908 7.5908 7.7415 7.7415 8.3585 8.3585 8.4964 8.4964 8.7119 8.7119 9.2418 9.2418 10.2549 10.2549 11.0593 11.0593 11.2463 11.2463 11.4931 11.4931 k = 0.0000 0.0000 0.4101 ( 4582 PWs) bands (ev): -39.6342 -39.6342 -39.6293 -39.6293 -18.6430 -18.6430 -18.6225 -18.6225 -18.1564 -18.1564 -18.1277 -18.1277 -18.1178 -18.1178 -18.1098 -18.1098 -2.0016 -2.0016 -0.1030 -0.1030 1.8605 1.8605 3.8829 3.8829 5.9240 5.9240 7.5553 7.5553 7.8078 7.8078 8.3244 8.3244 8.5079 8.5079 8.6961 8.6961 9.1693 9.1693 10.3207 10.3207 11.1174 11.1174 11.2557 11.2557 11.4259 11.4259 k = 0.0000 0.0000 0.3860 ( 4582 PWs) bands (ev): -39.6343 -39.6343 -39.6293 -39.6293 -18.6428 -18.6428 -18.6218 -18.6218 -18.1565 -18.1565 -18.1270 -18.1270 -18.1173 -18.1173 -18.1087 -18.1087 -2.0499 -2.0499 -0.1457 -0.1457 1.8390 1.8390 4.0281 4.0281 6.0521 6.0521 7.5191 7.5191 7.8664 7.8664 8.2894 8.2894 8.5192 8.5192 8.6859 8.6859 9.0995 9.0995 10.3897 10.3897 11.1747 11.1747 11.2671 11.2671 11.3573 11.3573 k = 0.0000 0.0000 0.3618 ( 4576 PWs) bands (ev): -39.6345 -39.6345 -39.6294 -39.6294 -18.6426 -18.6426 -18.6210 -18.6210 -18.1565 -18.1565 -18.1263 -18.1263 -18.1167 -18.1167 -18.1076 -18.1076 -2.0954 -2.0954 -0.1860 -0.1860 1.8165 1.8165 4.1746 4.1746 6.1811 6.1811 7.4840 7.4840 7.9151 7.9151 8.2531 8.2531 8.5302 8.5302 8.6817 8.6817 9.0330 9.0330 10.4617 10.4617 11.2302 11.2302 11.2792 11.2792 11.2894 11.2894 k = 0.0000 0.0000 0.3377 ( 4576 PWs) bands (ev): -39.6347 -39.6347 -39.6294 -39.6294 -18.6424 -18.6424 -18.6203 -18.6203 -18.1566 -18.1566 -18.1257 -18.1257 -18.1162 -18.1162 -18.1064 -18.1064 -2.1381 -2.1381 -0.2237 -0.2237 1.7935 1.7935 4.3214 4.3214 6.3101 6.3101 7.4503 7.4503 7.9534 7.9534 8.2151 8.2151 8.5408 8.5408 8.6831 8.6831 8.9702 8.9702 10.5365 10.5365 11.2139 11.2139 11.2859 11.2859 11.2981 11.2981 k = 0.0000 0.0000 0.3136 ( 4574 PWs) bands (ev): -39.6349 -39.6349 -39.6295 -39.6295 -18.6422 -18.6422 -18.6196 -18.6196 -18.1567 -18.1567 -18.1251 -18.1251 -18.1157 -18.1157 -18.1053 -18.1053 -2.1778 -2.1778 -0.2589 -0.2589 1.7707 1.7707 4.4681 4.4681 6.4383 6.4383 7.4185 7.4185 7.9819 7.9819 8.1748 8.1748 8.5512 8.5512 8.6894 8.6894 8.9118 8.9118 10.6139 10.6139 11.1412 11.1412 11.3152 11.3152 11.3402 11.3402 k = 0.0000 0.0000 0.2895 ( 4567 PWs) bands (ev): -39.6350 -39.6350 -39.6295 -39.6295 -18.6420 -18.6420 -18.6190 -18.6190 -18.1568 -18.1568 -18.1247 -18.1247 -18.1152 -18.1152 -18.1041 -18.1041 -2.2146 -2.2146 -0.2915 -0.2915 1.7484 1.7484 4.6137 4.6137 6.5647 6.5647 7.3885 7.3885 8.0015 8.0015 8.1318 8.1318 8.5611 8.5611 8.6995 8.6995 8.8586 8.8586 10.6935 10.6935 11.0668 11.0668 11.3367 11.3367 11.3920 11.3920 k = 0.0000 0.0000 0.2653 ( 4569 PWs) bands (ev): -39.6351 -39.6351 -39.6296 -39.6296 -18.6419 -18.6419 -18.6184 -18.6184 -18.1569 -18.1569 -18.1242 -18.1242 -18.1147 -18.1147 -18.1030 -18.1030 -2.2486 -2.2486 -0.3216 -0.3216 1.7269 1.7269 4.7574 4.7574 6.6883 6.6883 7.3606 7.3606 8.0134 8.0134 8.0858 8.0858 8.5706 8.5706 8.7117 8.7117 8.8117 8.8117 10.7749 10.7749 10.9913 10.9913 11.3608 11.3608 11.4435 11.4435 k = 0.0000 0.0000 0.2412 ( 4561 PWs) bands (ev): -39.6353 -39.6353 -39.6296 -39.6296 -18.6417 -18.6417 -18.6178 -18.6178 -18.1570 -18.1570 -18.1239 -18.1239 -18.1142 -18.1142 -18.1019 -18.1019 -2.2796 -2.2796 -0.3490 -0.3490 1.7066 1.7066 4.8985 4.8985 6.8079 6.8079 7.3349 7.3349 8.0178 8.0178 8.0383 8.0383 8.5795 8.5795 8.7238 8.7238 8.7727 8.7727 10.8552 10.8552 10.9181 10.9181 11.3876 11.3876 11.4947 11.4947 k = 0.0000 0.0000 0.2171 ( 4565 PWs) bands (ev): -39.6354 -39.6354 -39.6297 -39.6297 -18.6416 -18.6416 -18.6174 -18.6174 -18.1571 -18.1571 -18.1235 -18.1235 -18.1138 -18.1138 -18.1010 -18.1010 -2.3077 -2.3077 -0.3739 -0.3739 1.6876 1.6876 5.0359 5.0359 6.9222 6.9222 7.3112 7.3112 7.9810 7.9810 8.0242 8.0242 8.5878 8.5878 8.7243 8.7243 8.7525 8.7525 10.8336 10.8336 10.9478 10.9478 11.4171 11.4171 11.5456 11.5456 k = 0.0000 0.0000 0.1930 ( 4551 PWs) bands (ev): -39.6355 -39.6355 -39.6297 -39.6297 -18.6414 -18.6414 -18.6169 -18.6169 -18.1572 -18.1572 -18.1233 -18.1233 -18.1133 -18.1133 -18.1000 -18.1000 -2.3328 -2.3328 -0.3962 -0.3962 1.6702 1.6702 5.1683 5.1683 7.0298 7.0298 7.2898 7.2898 7.9258 7.9258 8.0229 8.0229 8.5953 8.5953 8.7043 8.7043 8.7597 8.7597 10.7588 10.7588 11.0327 11.0327 11.4494 11.4494 11.5957 11.5957 k = 0.0000 0.0000 0.1689 ( 4557 PWs) bands (ev): -39.6356 -39.6356 -39.6297 -39.6297 -18.6413 -18.6413 -18.6165 -18.6165 -18.1573 -18.1573 -18.1230 -18.1230 -18.1129 -18.1129 -18.0992 -18.0992 -2.3551 -2.3551 -0.4159 -0.4159 1.6546 1.6546 5.2943 5.2943 7.1292 7.1292 7.2707 7.2707 7.8680 7.8680 8.0201 8.0201 8.6020 8.6020 8.6864 8.6864 8.7709 8.7709 10.6845 10.6845 11.1191 11.1191 11.4844 11.4844 11.6443 11.6443 k = 0.0000 0.0000 0.1447 ( 4565 PWs) bands (ev): -39.6357 -39.6357 -39.6298 -39.6298 -18.6412 -18.6412 -18.6162 -18.6162 -18.1574 -18.1574 -18.1229 -18.1229 -18.1126 -18.1126 -18.0985 -18.0985 -2.3743 -2.3743 -0.4329 -0.4329 1.6407 1.6407 5.4120 5.4120 7.2185 7.2185 7.2542 7.2542 7.8095 7.8095 8.0164 8.0164 8.6078 8.6078 8.6746 8.6746 8.7814 8.7814 10.6133 10.6133 11.2055 11.2055 11.5221 11.5221 11.6905 11.6905 k = 0.0000 0.0000 0.1206 ( 4571 PWs) bands (ev): -39.6358 -39.6358 -39.6298 -39.6298 -18.6412 -18.6412 -18.6159 -18.6159 -18.1575 -18.1575 -18.1227 -18.1227 -18.1123 -18.1123 -18.0979 -18.0979 -2.3906 -2.3906 -0.4474 -0.4474 1.6289 1.6289 5.5194 5.5194 7.2385 7.2385 7.2982 7.2982 7.7523 7.7523 8.0125 8.0125 8.6129 8.6129 8.6688 8.6688 8.7905 8.7905 10.5470 10.5470 11.2906 11.2906 11.5625 11.5625 11.7331 11.7331 k = 0.0000 0.0000 0.0965 ( 4581 PWs) bands (ev): -39.6358 -39.6358 -39.6298 -39.6298 -18.6411 -18.6411 -18.6157 -18.6157 -18.1575 -18.1575 -18.1226 -18.1226 -18.1120 -18.1120 -18.0974 -18.0974 -2.4040 -2.4040 -0.4592 -0.4592 1.6191 1.6191 5.6138 5.6138 7.2264 7.2264 7.3646 7.3646 7.6987 7.6987 8.0086 8.0086 8.6171 8.6171 8.6677 8.6677 8.7979 8.7979 10.4880 10.4880 11.3724 11.3724 11.6055 11.6055 11.7708 11.7708 k = 0.0000 0.0000 0.0724 ( 4581 PWs) bands (ev): -39.6359 -39.6359 -39.6298 -39.6298 -18.6411 -18.6411 -18.6155 -18.6155 -18.1576 -18.1576 -18.1225 -18.1225 -18.1118 -18.1118 -18.0970 -18.0970 -2.4144 -2.4144 -0.4684 -0.4684 1.6114 1.6114 5.6923 5.6923 7.2164 7.2164 7.4183 7.4183 7.6512 7.6512 8.0053 8.0053 8.6205 8.6205 8.6699 8.6699 8.8036 8.8036 10.4385 10.4385 11.4482 11.4482 11.6509 11.6509 11.8021 11.8022 k = 0.0000 0.0000 0.0482 ( 4581 PWs) bands (ev): -39.6359 -39.6359 -39.6298 -39.6298 -18.6410 -18.6410 -18.6153 -18.6153 -18.1576 -18.1576 -18.1224 -18.1224 -18.1117 -18.1117 -18.0967 -18.0967 -2.4218 -2.4218 -0.4750 -0.4750 1.6058 1.6058 5.7516 5.7516 7.2091 7.2091 7.4589 7.4589 7.6126 7.6126 8.0027 8.0027 8.6229 8.6229 8.6733 8.6733 8.8077 8.8077 10.4010 10.4010 11.5127 11.5127 11.6986 11.6987 11.8257 11.8257 k = 0.0000 0.0000 0.0241 ( 4585 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6410 -18.6410 -18.6153 -18.6153 -18.1577 -18.1577 -18.1224 -18.1224 -18.1116 -18.1116 -18.0965 -18.0965 -2.4263 -2.4263 -0.4789 -0.4789 1.6025 1.6025 5.7886 5.7886 7.2045 7.2045 7.4858 7.4858 7.5855 7.5855 8.0010 8.0010 8.6244 8.6244 8.6763 8.6763 8.8101 8.8101 10.3776 10.3776 11.5582 11.5582 11.7484 11.7484 11.8389 11.8390 k = 0.0000 0.0000 0.0000 ( 4575 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6410 -18.6410 -18.6152 -18.6152 -18.1577 -18.1577 -18.1224 -18.1224 -18.1115 -18.1115 -18.0964 -18.0964 -2.4278 -2.4278 -0.4802 -0.4802 1.6014 1.6014 5.8013 5.8013 7.2029 7.2029 7.4961 7.4961 7.5750 7.5750 8.0005 8.0005 8.6249 8.6249 8.6775 8.6775 8.8110 8.8110 10.3696 10.3696 11.5750 11.5750 11.7946 11.7946 11.8077 11.8127 k = 0.0000 0.0000 0.0000 ( 4575 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6410 -18.6410 -18.6152 -18.6152 -18.1577 -18.1577 -18.1224 -18.1224 -18.1115 -18.1115 -18.0964 -18.0964 -2.4278 -2.4278 -0.4802 -0.4802 1.6014 1.6014 5.8013 5.8013 7.2029 7.2029 7.4961 7.4961 7.5750 7.5750 8.0005 8.0005 8.6249 8.6249 8.6775 8.6775 8.8110 8.8110 10.3696 10.3696 11.5750 11.5750 11.7946 11.7946 11.8092 11.8131 k =-0.0227 0.0059 0.0000 ( 4580 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6410 -18.6410 -18.6152 -18.6152 -18.1577 -18.1577 -18.1224 -18.1224 -18.1115 -18.1115 -18.0964 -18.0964 -2.4267 -2.4267 -0.4846 -0.4846 1.6074 1.6074 5.8013 5.8013 7.2030 7.2030 7.4598 7.4598 7.5752 7.5752 8.0339 8.0339 8.6250 8.6250 8.6774 8.6774 8.8116 8.8116 10.3673 10.3673 11.5747 11.5747 11.7949 11.7949 11.8049 11.8093 k =-0.0455 0.0119 0.0000 ( 4570 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6410 -18.6410 -18.6152 -18.6152 -18.1576 -18.1576 -18.1224 -18.1224 -18.1115 -18.1115 -18.0964 -18.0964 -2.4237 -2.4237 -0.4974 -0.4974 1.6252 1.6252 5.8015 5.8015 7.2032 7.2032 7.3705 7.3705 7.5757 7.5757 8.1143 8.1143 8.6252 8.6252 8.6772 8.6772 8.8136 8.8136 10.3607 10.3607 11.5740 11.5740 11.7955 11.7955 11.7979 11.7979 k =-0.0682 0.0178 0.0000 ( 4578 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6409 -18.6409 -18.6153 -18.6153 -18.1575 -18.1575 -18.1225 -18.1225 -18.1115 -18.1115 -18.0965 -18.0965 -2.4187 -2.4187 -0.5181 -0.5181 1.6543 1.6543 5.8017 5.8017 7.2033 7.2033 7.2557 7.2557 7.5764 7.5764 8.2140 8.2140 8.6256 8.6256 8.6769 8.6769 8.8176 8.8176 10.3501 10.3501 11.5728 11.5728 11.7868 11.7871 11.7971 11.7972 k =-0.0909 0.0238 0.0000 ( 4586 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6408 -18.6408 -18.6154 -18.6154 -18.1574 -18.1574 -18.1226 -18.1226 -18.1115 -18.1115 -18.0966 -18.0966 -2.4118 -2.4118 -0.5461 -0.5461 1.6939 1.6939 5.8021 5.8021 7.1275 7.1275 7.2049 7.2049 7.5773 7.5773 8.3176 8.3176 8.6261 8.6261 8.6765 8.6765 8.8250 8.8250 10.3362 10.3362 11.5711 11.5711 11.7724 11.7724 11.7988 11.7988 k =-0.1136 0.0297 0.0000 ( 4594 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6407 -18.6407 -18.6155 -18.6155 -18.1573 -18.1573 -18.1228 -18.1228 -18.1115 -18.1115 -18.0967 -18.0967 -2.4029 -2.4029 -0.5803 -0.5803 1.7429 1.7429 5.8025 5.8025 6.9946 6.9946 7.2055 7.2055 7.5785 7.5785 8.4164 8.4164 8.6269 8.6269 8.6762 8.6762 8.8384 8.8384 10.3195 10.3195 11.5691 11.5691 11.7548 11.7549 11.8008 11.8008 k =-0.1364 0.0356 0.0000 ( 4600 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6406 -18.6406 -18.6156 -18.6156 -18.1571 -18.1571 -18.1229 -18.1229 -18.1114 -18.1114 -18.0968 -18.0968 -2.3922 -2.3922 -0.6196 -0.6196 1.8001 1.8001 5.8030 5.8030 6.8586 6.8586 7.2064 7.2064 7.5799 7.5799 8.5029 8.5029 8.6278 8.6278 8.6762 8.6762 8.8621 8.8621 10.3014 10.3014 11.5667 11.5667 11.7347 11.7347 11.8014 11.8015 k =-0.1591 0.0416 0.0000 ( 4592 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6405 -18.6405 -18.6157 -18.6157 -18.1569 -18.1569 -18.1231 -18.1231 -18.1114 -18.1114 -18.0969 -18.0969 -2.3798 -2.3798 -0.6631 -0.6631 1.8645 1.8645 5.8034 5.8034 6.7215 6.7215 7.2075 7.2075 7.5815 7.5815 8.5695 8.5695 8.6293 8.6293 8.6768 8.6768 8.9009 8.9009 10.2828 10.2828 11.5641 11.5641 11.7127 11.7127 11.7903 11.7903 k =-0.1818 0.0475 0.0000 ( 4594 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6404 -18.6404 -18.6159 -18.6159 -18.1566 -18.1566 -18.1232 -18.1232 -18.1113 -18.1113 -18.0970 -18.0970 -2.3657 -2.3657 -0.7096 -0.7096 1.9347 1.9347 5.8039 5.8039 6.5846 6.5846 7.2087 7.2087 7.5832 7.5832 8.6109 8.6109 8.6325 8.6325 8.6788 8.6788 8.9567 8.9567 10.2652 10.2652 11.5614 11.5614 11.6893 11.6893 11.7744 11.7744 k =-0.2045 0.0534 0.0000 ( 4588 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6402 -18.6402 -18.6160 -18.6160 -18.1564 -18.1564 -18.1234 -18.1234 -18.1113 -18.1113 -18.0971 -18.0971 -2.3501 -2.3501 -0.7583 -0.7583 2.0096 2.0096 5.8043 5.8043 6.4490 6.4490 7.2100 7.2100 7.5850 7.5850 8.6254 8.6254 8.6422 8.6422 8.6828 8.6828 9.0246 9.0246 10.2502 10.2502 11.5585 11.5585 11.6653 11.6653 11.7571 11.7571 k =-0.2273 0.0594 0.0000 ( 4582 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6400 -18.6400 -18.6161 -18.6161 -18.1561 -18.1561 -18.1236 -18.1236 -18.1112 -18.1112 -18.0972 -18.0972 -2.3332 -2.3332 -0.8082 -0.8082 2.0881 2.0881 5.8045 5.8045 6.3156 6.3156 7.2113 7.2113 7.5870 7.5870 8.6284 8.6284 8.6500 8.6500 8.6879 8.6879 9.0967 9.0967 10.2394 10.2394 11.5556 11.5556 11.6411 11.6411 11.7387 11.7388 k =-0.2500 0.0653 0.0000 ( 4570 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6398 -18.6398 -18.6163 -18.6163 -18.1558 -18.1558 -18.1238 -18.1238 -18.1112 -18.1112 -18.0974 -18.0974 -2.3151 -2.3151 -0.8584 -0.8584 2.1689 2.1689 5.8043 5.8043 6.1857 6.1857 7.2127 7.2127 7.5890 7.5890 8.6300 8.6300 8.6530 8.6530 8.6926 8.6926 9.1665 9.1665 10.2344 10.2344 11.5527 11.5527 11.6172 11.6172 11.7200 11.7200 k =-0.2727 0.0713 0.0000 ( 4578 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6396 -18.6396 -18.6165 -18.6165 -18.1556 -18.1556 -18.1240 -18.1240 -18.1111 -18.1111 -18.0975 -18.0975 -2.2962 -2.2962 -0.9081 -0.9081 2.2509 2.2509 5.8031 5.8031 6.0605 6.0605 7.2140 7.2140 7.5909 7.5909 8.6311 8.6311 8.6537 8.6537 8.6961 8.6961 9.2295 9.2295 10.2367 10.2367 11.5498 11.5498 11.5941 11.5941 11.7012 11.7012 k =-0.2955 0.0772 0.0000 ( 4570 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6394 -18.6394 -18.6166 -18.6166 -18.1553 -18.1553 -18.1242 -18.1242 -18.1110 -18.1110 -18.0977 -18.0977 -2.2767 -2.2767 -0.9567 -0.9567 2.3329 2.3329 5.7985 5.7985 5.9437 5.9437 7.2154 7.2154 7.5929 7.5929 8.6322 8.6322 8.6535 8.6535 8.6986 8.6986 9.2832 9.2832 10.2472 10.2472 11.5471 11.5471 11.5722 11.5722 11.6828 11.6828 k =-0.3182 0.0831 0.0000 ( 4564 PWs) bands (ev): -39.6359 -39.6359 -39.6299 -39.6299 -18.6392 -18.6392 -18.6168 -18.6168 -18.1550 -18.1550 -18.1244 -18.1244 -18.1110 -18.1110 -18.0978 -18.0978 -2.2570 -2.2570 -1.0033 -1.0033 2.4134 2.4134 5.7738 5.7738 5.8530 5.8530 7.2167 7.2167 7.5948 7.5948 8.6331 8.6331 8.6527 8.6527 8.7006 8.7006 9.3262 9.3262 10.2662 10.2662 11.5444 11.5444 11.5519 11.5519 11.6653 11.6653 k =-0.3409 0.0891 0.0000 ( 4568 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6391 -18.6391 -18.6169 -18.6169 -18.1547 -18.1547 -18.1246 -18.1246 -18.1109 -18.1109 -18.0979 -18.0979 -2.2374 -2.2374 -1.0471 -1.0471 2.4911 2.4911 5.6937 5.6937 5.8249 5.8249 7.2180 7.2180 7.5965 7.5965 8.6340 8.6340 8.6518 8.6518 8.7023 8.7023 9.3586 9.3586 10.2925 10.2925 11.5328 11.5328 11.5425 11.5425 11.6490 11.6490 k =-0.3636 0.0950 0.0000 ( 4568 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6389 -18.6389 -18.6171 -18.6171 -18.1545 -18.1545 -18.1248 -18.1248 -18.1109 -18.1109 -18.0980 -18.0980 -2.2186 -2.2186 -1.0875 -1.0875 2.5643 2.5643 5.5997 5.5997 5.8197 5.8197 7.2191 7.2191 7.5981 7.5981 8.6348 8.6348 8.6508 8.6508 8.7038 8.7038 9.3815 9.3815 10.3243 10.3243 11.5163 11.5163 11.5403 11.5403 11.6343 11.6343 k =-0.3864 0.1010 0.0000 ( 4572 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6388 -18.6388 -18.6172 -18.6172 -18.1543 -18.1543 -18.1250 -18.1250 -18.1108 -18.1108 -18.0981 -18.0981 -2.2010 -2.2010 -1.1237 -1.1237 2.6311 2.6311 5.5124 5.5124 5.8182 5.8182 7.2201 7.2201 7.5996 7.5996 8.6354 8.6354 8.6498 8.6498 8.7052 8.7052 9.3965 9.3965 10.3586 10.3586 11.5019 11.5019 11.5384 11.5384 11.6213 11.6213 k =-0.4091 0.1069 0.0000 ( 4558 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6387 -18.6387 -18.6173 -18.6173 -18.1540 -18.1540 -18.1251 -18.1251 -18.1108 -18.1108 -18.0982 -18.0982 -2.1854 -2.1854 -1.1548 -1.1548 2.6898 2.6898 5.4365 5.4365 5.8177 5.8177 7.2209 7.2209 7.6008 7.6008 8.6360 8.6360 8.6489 8.6489 8.7064 8.7064 9.4058 9.4058 10.3926 10.3926 11.4899 11.4899 11.5369 11.5369 11.6104 11.6104 k =-0.4318 0.1128 0.0000 ( 4556 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6386 -18.6386 -18.6173 -18.6173 -18.1539 -18.1539 -18.1252 -18.1252 -18.1108 -18.1108 -18.0983 -18.0983 -2.1723 -2.1723 -1.1800 -1.1800 2.7382 2.7382 5.3745 5.3745 5.8175 5.8175 7.2216 7.2216 7.6018 7.6018 8.6365 8.6365 8.6482 8.6482 8.7075 8.7075 9.4109 9.4109 10.4228 10.4228 11.4805 11.4805 11.5357 11.5357 11.6018 11.6018 k =-0.4545 0.1188 0.0000 ( 4556 PWs) bands (ev): -39.6358 -39.6358 -39.6300 -39.6300 -18.6385 -18.6385 -18.6174 -18.6174 -18.1538 -18.1538 -18.1253 -18.1253 -18.1107 -18.1107 -18.0983 -18.0983 -2.1624 -2.1624 -1.1986 -1.1986 2.7744 2.7744 5.3284 5.3284 5.8174 5.8174 7.2221 7.2221 7.6025 7.6025 8.6369 8.6369 8.6477 8.6477 8.7083 8.7083 9.4134 9.4134 10.4467 10.4467 11.4736 11.4736 11.5348 11.5348 11.5955 11.5955 k =-0.4773 0.1247 0.0000 ( 4548 PWs) bands (ev): -39.6358 -39.6358 -39.6300 -39.6300 -18.6384 -18.6384 -18.6174 -18.6174 -18.1537 -18.1537 -18.1254 -18.1254 -18.1107 -18.1107 -18.0984 -18.0984 -2.1562 -2.1562 -1.2101 -1.2101 2.7970 2.7970 5.3001 5.3001 5.8175 5.8175 7.2224 7.2224 7.6029 7.6029 8.6371 8.6371 8.6474 8.6474 8.7089 8.7089 9.4146 9.4146 10.4621 10.4621 11.4695 11.4695 11.5343 11.5343 11.5917 11.5917 k =-0.5000 0.1306 0.0000 ( 4548 PWs) bands (ev): -39.6358 -39.6358 -39.6300 -39.6300 -18.6384 -18.6384 -18.6175 -18.6175 -18.1537 -18.1537 -18.1254 -18.1254 -18.1107 -18.1107 -18.0984 -18.0984 -2.1541 -2.1541 -1.2140 -1.2140 2.8046 2.8046 5.2905 5.2905 5.8175 5.8175 7.2225 7.2225 7.6031 7.6031 8.6371 8.6371 8.6473 8.6473 8.7091 8.7091 9.4148 9.4148 10.4673 10.4673 11.4682 11.4682 11.5341 11.5341 11.5904 11.5904 k =-0.5000 0.1306 0.0000 ( 4548 PWs) bands (ev): -39.6358 -39.6358 -39.6300 -39.6300 -18.6384 -18.6384 -18.6175 -18.6175 -18.1537 -18.1537 -18.1254 -18.1254 -18.1107 -18.1107 -18.0984 -18.0984 -2.1541 -2.1541 -1.2140 -1.2140 2.8046 2.8046 5.2905 5.2905 5.8175 5.8175 7.2225 7.2225 7.6031 7.6031 8.6371 8.6371 8.6473 8.6473 8.7091 8.7091 9.4148 9.4148 10.4673 10.4673 11.4682 11.4682 11.5341 11.5341 11.5904 11.5904 k =-0.4939 0.1541-0.0000 ( 4552 PWs) bands (ev): -39.6358 -39.6358 -39.6300 -39.6300 -18.6384 -18.6384 -18.6175 -18.6175 -18.1537 -18.1537 -18.1255 -18.1255 -18.1107 -18.1107 -18.0984 -18.0984 -2.1526 -2.1526 -1.2129 -1.2129 2.8058 2.8058 5.2908 5.2908 5.7985 5.7985 7.2379 7.2379 7.6048 7.6048 8.6266 8.6266 8.6461 8.6461 8.7075 8.7075 9.4224 9.4224 10.4730 10.4730 11.4590 11.4590 11.5049 11.5049 11.6232 11.6232 k =-0.4877 0.1776-0.0000 ( 4550 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6385 -18.6385 -18.6175 -18.6175 -18.1537 -18.1537 -18.1256 -18.1256 -18.1108 -18.1108 -18.0984 -18.0984 -2.1483 -2.1483 -1.2097 -1.2097 2.8093 2.8093 5.2917 5.2917 5.7441 5.7441 7.2814 7.2814 7.6100 7.6100 8.5961 8.5961 8.6422 8.6422 8.7030 8.7030 9.4441 9.4441 10.4901 10.4901 11.4320 11.4320 11.4626 11.4626 11.6764 11.6764 k =-0.4816 0.2010-0.0000 ( 4558 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6386 -18.6386 -18.6177 -18.6177 -18.1538 -18.1538 -18.1258 -18.1258 -18.1110 -18.1110 -18.0984 -18.0984 -2.1411 -2.1411 -1.2043 -1.2043 2.8152 2.8152 5.2933 5.2933 5.6603 5.6603 7.3464 7.3464 7.6191 7.6191 8.5483 8.5483 8.6356 8.6356 8.6960 8.6960 9.4776 9.4776 10.5179 10.5179 11.3919 11.3919 11.4196 11.4196 11.7298 11.7299 k =-0.4755 0.2245-0.0000 ( 4560 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6387 -18.6387 -18.6178 -18.6178 -18.1539 -18.1539 -18.1261 -18.1261 -18.1112 -18.1112 -18.0983 -18.0983 -2.1310 -2.1310 -1.1968 -1.1968 2.8234 2.8234 5.2955 5.2955 5.5542 5.5542 7.4247 7.4247 7.6334 7.6334 8.4868 8.4868 8.6263 8.6263 8.6862 8.6862 9.5203 9.5203 10.5555 10.5555 11.3448 11.3448 11.3742 11.3742 11.6709 11.6709 k =-0.4694 0.2479-0.0000 ( 4564 PWs) bands (ev): -39.6357 -39.6357 -39.6299 -39.6299 -18.6389 -18.6389 -18.6180 -18.6180 -18.1541 -18.1541 -18.1264 -18.1264 -18.1114 -18.1114 -18.0983 -18.0983 -2.1180 -2.1180 -1.1872 -1.1872 2.8340 2.8340 5.2981 5.2981 5.4318 5.4318 7.5066 7.5066 7.6566 7.6566 8.4147 8.4147 8.6145 8.6145 8.6733 8.6733 9.5701 9.5701 10.6019 10.6019 11.2902 11.2902 11.3299 11.3299 11.6012 11.6012 k =-0.4632 0.2714-0.0000 ( 4568 PWs) bands (ev): -39.6357 -39.6357 -39.6298 -39.6298 -18.6390 -18.6390 -18.6182 -18.6182 -18.1542 -18.1542 -18.1269 -18.1269 -18.1117 -18.1117 -18.0983 -18.0983 -2.1021 -2.1021 -1.1755 -1.1755 2.8468 2.8468 5.2951 5.2951 5.3036 5.3036 7.5773 7.5773 7.6989 7.6989 8.3349 8.3349 8.6000 8.6000 8.6568 8.6568 9.6257 9.6257 10.6558 10.6558 11.2284 11.2284 11.2899 11.2899 11.5285 11.5285 k =-0.4571 0.2949-0.0000 ( 4560 PWs) bands (ev): -39.6356 -39.6356 -39.6298 -39.6298 -18.6392 -18.6392 -18.6185 -18.6185 -18.1544 -18.1544 -18.1274 -18.1274 -18.1119 -18.1119 -18.0983 -18.0983 -2.0833 -2.0833 -1.1618 -1.1618 2.8619 2.8619 5.1545 5.1545 5.3049 5.3049 7.6241 7.6241 7.7697 7.7697 8.2496 8.2496 8.5830 8.5830 8.6364 8.6364 9.6864 9.6864 10.7162 10.7162 11.1626 11.1626 11.2538 11.2538 11.4544 11.4544 k =-0.4510 0.3183-0.0000 ( 4558 PWs) bands (ev): -39.6356 -39.6356 -39.6297 -39.6297 -18.6394 -18.6394 -18.6188 -18.6188 -18.1546 -18.1546 -18.1280 -18.1280 -18.1123 -18.1123 -18.0983 -18.0983 -2.0617 -2.0617 -1.1461 -1.1461 2.8792 2.8792 5.0056 5.0056 5.3085 5.3085 7.6558 7.6558 7.8576 7.8576 8.1608 8.1608 8.5630 8.5630 8.6118 8.6118 9.7515 9.7515 10.7818 10.7818 11.0962 11.0962 11.2212 11.2212 11.3799 11.3799 k =-0.4448 0.3418-0.0000 ( 4542 PWs) bands (ev): -39.6355 -39.6355 -39.6297 -39.6297 -18.6397 -18.6397 -18.6191 -18.6191 -18.1548 -18.1548 -18.1286 -18.1286 -18.1126 -18.1126 -18.0982 -18.0982 -2.0372 -2.0372 -1.1285 -1.1285 2.8986 2.8986 4.8524 4.8524 5.3122 5.3122 7.6834 7.6834 7.9486 7.9486 8.0714 8.0714 8.5395 8.5395 8.5834 8.5834 9.8208 9.8208 10.8516 10.8516 11.0321 11.0321 11.1916 11.1916 11.3060 11.3060 k =-0.4387 0.3652-0.0000 ( 4548 PWs) bands (ev): -39.6355 -39.6355 -39.6296 -39.6296 -18.6400 -18.6400 -18.6195 -18.6195 -18.1551 -18.1551 -18.1294 -18.1294 -18.1130 -18.1130 -18.0982 -18.0982 -2.0098 -2.0098 -1.1089 -1.1089 2.9201 2.9201 4.6959 4.6959 5.3159 5.3159 7.7107 7.7107 7.9679 7.9679 8.0526 8.0526 8.5104 8.5104 8.5526 8.5526 9.8940 9.8940 10.9244 10.9244 10.9727 10.9727 11.1647 11.1647 11.2331 11.2331 k =-0.4326 0.3887-0.0000 ( 4544 PWs) bands (ev): -39.6354 -39.6354 -39.6295 -39.6295 -18.6403 -18.6403 -18.6199 -18.6199 -18.1554 -18.1554 -18.1301 -18.1301 -18.1134 -18.1134 -18.0981 -18.0981 -1.9795 -1.9795 -1.0876 -1.0876 2.9436 2.9436 4.5373 4.5373 5.3193 5.3193 7.7384 7.7384 7.8796 7.8796 8.1399 8.1399 8.4732 8.4732 8.5220 8.5220 9.9707 9.9707 10.9177 10.9177 11.0012 11.0012 11.1405 11.1405 11.1620 11.1620 k =-0.4264 0.4122-0.0000 ( 4542 PWs) bands (ev): -39.6353 -39.6353 -39.6295 -39.6295 -18.6406 -18.6406 -18.6204 -18.6204 -18.1558 -18.1558 -18.1310 -18.1310 -18.1138 -18.1138 -18.0980 -18.0980 -1.9464 -1.9464 -1.0645 -1.0645 2.9691 2.9691 4.3773 4.3773 5.3222 5.3222 7.7582 7.7582 7.7979 7.7979 8.2278 8.2278 8.4265 8.4265 8.4929 8.4929 10.0505 10.0505 10.8714 10.8714 11.0706 11.0706 11.0993 11.0993 11.1200 11.1200 k =-0.4203 0.4356-0.0000 ( 4542 PWs) bands (ev): -39.6352 -39.6352 -39.6294 -39.6294 -18.6409 -18.6409 -18.6208 -18.6208 -18.1562 -18.1562 -18.1319 -18.1319 -18.1143 -18.1143 -18.0979 -18.0979 -1.9104 -1.9104 -1.0397 -1.0397 2.9965 2.9965 4.2164 4.2164 5.3243 5.3243 7.6897 7.6897 7.8074 7.8074 8.3114 8.3114 8.3728 8.3728 8.4649 8.4649 10.1330 10.1330 10.8333 10.8333 11.0209 11.0209 11.0990 11.0990 11.1621 11.1621 k =-0.4142 0.4591-0.0000 ( 4538 PWs) bands (ev): -39.6352 -39.6352 -39.6293 -39.6293 -18.6413 -18.6413 -18.6214 -18.6214 -18.1566 -18.1566 -18.1329 -18.1329 -18.1147 -18.1147 -18.0978 -18.0978 -1.8716 -1.8716 -1.0134 -1.0134 3.0256 3.0256 4.0552 4.0552 5.3254 5.3254 7.6017 7.6017 7.8405 7.8405 8.3042 8.3042 8.3974 8.3974 8.4388 8.4388 10.2178 10.2178 10.8040 10.8040 10.9556 10.9556 11.0819 11.0819 11.1552 11.1552 k =-0.4081 0.4825-0.0000 ( 4542 PWs) bands (ev): -39.6351 -39.6351 -39.6292 -39.6292 -18.6417 -18.6417 -18.6219 -18.6219 -18.1571 -18.1571 -18.1339 -18.1339 -18.1151 -18.1151 -18.0977 -18.0977 -1.8299 -1.8299 -0.9856 -0.9856 3.0563 3.0563 3.8940 3.8940 5.3252 5.3252 7.5156 7.5156 7.8764 7.8764 8.2351 8.2351 8.4053 8.4053 8.4818 8.4818 10.3041 10.3041 10.7836 10.7836 10.8925 10.8925 11.0659 11.0659 11.0791 11.0791 k =-0.4019 0.5060-0.0000 ( 4538 PWs) bands (ev): -39.6350 -39.6350 -39.6291 -39.6291 -18.6421 -18.6421 -18.6225 -18.6225 -18.1575 -18.1575 -18.1350 -18.1350 -18.1155 -18.1155 -18.0976 -18.0976 -1.7854 -1.7854 -0.9564 -0.9564 3.0885 3.0885 3.7332 3.7332 5.3232 5.3232 7.4328 7.4328 7.9139 7.9139 8.1597 8.1597 8.3773 8.3773 8.5590 8.5590 10.3915 10.3915 10.7717 10.7717 10.8326 10.8326 11.0016 11.0016 11.0524 11.0524 k =-0.3958 0.5295-0.0000 ( 4536 PWs) bands (ev): -39.6349 -39.6349 -39.6291 -39.6291 -18.6425 -18.6425 -18.6230 -18.6230 -18.1581 -18.1581 -18.1361 -18.1361 -18.1159 -18.1159 -18.0975 -18.0975 -1.7381 -1.7381 -0.9260 -0.9260 3.1221 3.1221 3.5731 3.5731 5.3192 5.3192 7.3545 7.3545 7.9502 7.9502 8.0821 8.0821 8.3482 8.3482 8.6350 8.6350 10.4792 10.4792 10.7605 10.7605 10.7837 10.7837 10.9247 10.9247 11.0393 11.0393 k =-0.3897 0.5529-0.0000 ( 4532 PWs) bands (ev): -39.6348 -39.6348 -39.6290 -39.6290 -18.6429 -18.6429 -18.6236 -18.6236 -18.1587 -18.1587 -18.1372 -18.1372 -18.1162 -18.1162 -18.0973 -18.0973 -1.6880 -1.6880 -0.8945 -0.8945 3.1568 3.1568 3.4139 3.4139 5.3129 5.3129 7.2812 7.2812 7.9578 7.9578 8.0308 8.0308 8.3188 8.3188 8.7096 8.7096 10.5657 10.5657 10.7162 10.7162 10.7802 10.7802 10.8484 10.8484 11.0271 11.0271 k =-0.3835 0.5764-0.0000 ( 4522 PWs) bands (ev): -39.6347 -39.6347 -39.6289 -39.6289 -18.6434 -18.6434 -18.6242 -18.6242 -18.1593 -18.1593 -18.1383 -18.1383 -18.1166 -18.1166 -18.0971 -18.0971 -1.6350 -1.6350 -0.8621 -0.8621 3.1924 3.1924 3.2559 3.2559 5.3038 5.3038 7.2137 7.2137 7.8864 7.8864 8.0569 8.0569 8.2893 8.2893 8.7828 8.7828 10.6335 10.6335 10.6841 10.6841 10.7674 10.7674 10.7985 10.7985 11.0152 11.0152 k =-0.3774 0.5998-0.0000 ( 4530 PWs) bands (ev): -39.6346 -39.6346 -39.6288 -39.6288 -18.6438 -18.6438 -18.6248 -18.6248 -18.1599 -18.1599 -18.1394 -18.1394 -18.1170 -18.1170 -18.0969 -18.0969 -1.5793 -1.5793 -0.8289 -0.8289 3.0992 3.0992 3.2289 3.2289 5.2917 5.2917 7.1526 7.1526 7.7964 7.7964 8.1008 8.1008 8.2599 8.2599 8.8551 8.8551 10.6052 10.6052 10.6908 10.6908 10.7513 10.7513 10.8192 10.8192 11.0034 11.0034 k =-0.3713 0.6233-0.0000 ( 4528 PWs) bands (ev): -39.6345 -39.6345 -39.6287 -39.6287 -18.6443 -18.6443 -18.6254 -18.6254 -18.1606 -18.1606 -18.1406 -18.1406 -18.1172 -18.1172 -18.0967 -18.0967 -1.5207 -1.5207 -0.7950 -0.7950 2.9442 2.9442 3.2659 3.2659 5.2764 5.2764 7.0985 7.0985 7.7026 7.7026 8.1486 8.1486 8.2307 8.2307 8.9265 8.9265 10.5598 10.5598 10.6161 10.6161 10.8252 10.8252 10.8576 10.8576 10.9912 10.9912 k =-0.3651 0.6468-0.0000 ( 4524 PWs) bands (ev): -39.6344 -39.6344 -39.6286 -39.6286 -18.6447 -18.6447 -18.6260 -18.6260 -18.1612 -18.1612 -18.1417 -18.1417 -18.1175 -18.1175 -18.0966 -18.0966 -1.4594 -1.4594 -0.7608 -0.7608 2.7909 2.7909 3.3031 3.3031 5.2578 5.2578 7.0516 7.0516 7.6075 7.6075 8.1975 8.1975 8.2033 8.2033 8.9976 8.9976 10.5133 10.5133 10.5437 10.5437 10.8717 10.8717 10.9297 10.9297 10.9793 10.9793 k =-0.3590 0.6702-0.0000 ( 4526 PWs) bands (ev): -39.6343 -39.6343 -39.6285 -39.6285 -18.6452 -18.6452 -18.6266 -18.6266 -18.1619 -18.1619 -18.1428 -18.1428 -18.1178 -18.1178 -18.0964 -18.0964 -1.3953 -1.3953 -0.7263 -0.7263 2.6395 2.6395 3.3401 3.3401 5.2359 5.2359 7.0123 7.0123 7.5122 7.5122 8.1735 8.1735 8.2509 8.2509 9.0683 9.0683 10.4533 10.4533 10.4880 10.4880 10.9127 10.9127 10.9598 10.9598 11.0180 11.0180 k =-0.3529 0.6937-0.0000 ( 4534 PWs) bands (ev): -39.6342 -39.6342 -39.6284 -39.6284 -18.6457 -18.6457 -18.6272 -18.6272 -18.1626 -18.1626 -18.1440 -18.1440 -18.1180 -18.1180 -18.0962 -18.0962 -1.3284 -1.3284 -0.6919 -0.6919 2.4901 2.4901 3.3767 3.3767 5.2109 5.2109 6.9806 6.9806 7.4181 7.4181 8.1458 8.1458 8.3044 8.3044 9.1390 9.1390 10.3803 10.3803 10.4490 10.4490 10.9399 10.9399 10.9609 10.9609 11.1006 11.1006 k =-0.3468 0.7171-0.0000 ( 4536 PWs) bands (ev): -39.6341 -39.6341 -39.6283 -39.6283 -18.6461 -18.6461 -18.6278 -18.6278 -18.1634 -18.1634 -18.1450 -18.1450 -18.1183 -18.1183 -18.0960 -18.0960 -1.2588 -1.2588 -0.6578 -0.6578 2.3430 2.3430 3.4125 3.4125 5.1830 5.1830 6.9565 6.9565 7.3259 7.3259 8.1189 8.1189 8.3591 8.3591 9.2096 9.2096 10.3053 10.3053 10.4163 10.4163 10.9214 10.9214 11.0073 11.0073 11.1833 11.1833 k =-0.3406 0.7406-0.0000 ( 4530 PWs) bands (ev): -39.6341 -39.6341 -39.6282 -39.6282 -18.6466 -18.6466 -18.6284 -18.6284 -18.1640 -18.1640 -18.1461 -18.1461 -18.1184 -18.1184 -18.0958 -18.0958 -1.1865 -1.1865 -0.6242 -0.6242 2.1983 2.1983 3.4470 3.4470 5.1528 5.1528 6.9397 6.9397 7.2366 7.2366 8.0928 8.0928 8.4150 8.4150 9.2804 9.2804 10.2302 10.2302 10.3882 10.3882 10.8973 10.8973 11.0587 11.0587 11.2648 11.2648 k =-0.3345 0.7641-0.0000 ( 4530 PWs) bands (ev): -39.6340 -39.6340 -39.6281 -39.6281 -18.6470 -18.6470 -18.6290 -18.6290 -18.1647 -18.1647 -18.1471 -18.1471 -18.1186 -18.1186 -18.0956 -18.0956 -1.1114 -1.1114 -0.5915 -0.5915 2.0562 2.0562 3.4796 3.4796 5.1207 5.1207 6.9298 6.9298 7.1514 7.1514 8.0678 8.0678 8.4717 8.4717 9.3514 9.3514 10.1553 10.1553 10.3646 10.3646 10.8687 10.8687 11.1128 11.1128 11.3446 11.3446 k =-0.3284 0.7875-0.0000 ( 4530 PWs) bands (ev): -39.6339 -39.6339 -39.6281 -39.6281 -18.6474 -18.6474 -18.6295 -18.6295 -18.1654 -18.1654 -18.1480 -18.1480 -18.1187 -18.1187 -18.0954 -18.0954 -1.0337 -1.0337 -0.5601 -0.5601 1.9169 1.9169 3.5100 3.5100 5.0875 5.0875 6.9259 6.9259 7.0714 7.0714 8.0438 8.0438 8.5290 8.5290 9.4226 9.4226 10.0808 10.0808 10.3456 10.3456 10.8350 10.8350 11.1689 11.1689 11.4224 11.4224 k =-0.3222 0.8110-0.0000 ( 4532 PWs) bands (ev): -39.6338 -39.6338 -39.6280 -39.6280 -18.6478 -18.6478 -18.6301 -18.6301 -18.1661 -18.1661 -18.1489 -18.1489 -18.1189 -18.1189 -18.0952 -18.0952 -0.9532 -0.9532 -0.5302 -0.5302 1.7806 1.7806 3.5376 3.5376 5.0539 5.0539 6.9250 6.9250 7.0002 7.0002 8.0209 8.0209 8.5865 8.5865 9.4939 9.4939 10.0068 10.0068 10.3313 10.3313 10.7960 10.7960 11.2262 11.2262 11.4980 11.4980 k =-0.3161 0.8344-0.0000 ( 4532 PWs) bands (ev): -39.6337 -39.6337 -39.6279 -39.6279 -18.6482 -18.6482 -18.6305 -18.6305 -18.1667 -18.1667 -18.1498 -18.1498 -18.1190 -18.1190 -18.0951 -18.0951 -0.8701 -0.8701 -0.5023 -0.5023 1.6475 1.6475 3.5617 3.5617 5.0205 5.0205 6.9060 6.9060 6.9591 6.9591 7.9993 7.9993 8.6442 8.6442 9.5651 9.5651 9.9335 9.9335 10.3221 10.3221 10.7511 10.7511 11.2841 11.2841 11.5710 11.5710 k =-0.3100 0.8579-0.0000 ( 4534 PWs) bands (ev): -39.6337 -39.6337 -39.6278 -39.6278 -18.6486 -18.6486 -18.6310 -18.6310 -18.1673 -18.1673 -18.1505 -18.1505 -18.1191 -18.1191 -18.0949 -18.0949 -0.7843 -0.7843 -0.4768 -0.4768 1.5180 1.5180 3.5817 3.5817 4.9882 4.9882 6.8534 6.8534 6.9640 6.9640 7.9789 7.9789 8.7016 8.7016 9.6358 9.6358 9.8612 9.8612 10.3180 10.3180 10.7002 10.7002 11.3417 11.3417 11.5974 11.5974 k =-0.3038 0.8814-0.0000 ( 4542 PWs) bands (ev): -39.6336 -39.6336 -39.6278 -39.6278 -18.6490 -18.6490 -18.6314 -18.6314 -18.1679 -18.1679 -18.1513 -18.1513 -18.1192 -18.1192 -18.0947 -18.0947 -0.6959 -0.6959 -0.4544 -0.4544 1.3922 1.3922 3.5971 3.5971 4.9577 4.9577 6.8008 6.8008 6.9814 6.9814 7.9600 7.9600 8.7585 8.7585 9.7036 9.7036 9.7920 9.7920 10.3194 10.3194 10.6434 10.6434 11.3979 11.3979 11.5230 11.5230 k =-0.2977 0.9048-0.0000 ( 4540 PWs) bands (ev): -39.6336 -39.6336 -39.6277 -39.6277 -18.6493 -18.6493 -18.6318 -18.6318 -18.1684 -18.1684 -18.1519 -18.1519 -18.1193 -18.1193 -18.0946 -18.0946 -0.6049 -0.6049 -0.4354 -0.4354 1.2707 1.2707 3.6074 3.6074 4.9296 4.9296 6.7555 6.7555 7.0045 7.0045 7.9424 7.9424 8.8146 8.8146 9.7083 9.7083 9.7861 9.7861 10.3264 10.3264 10.5808 10.5808 11.4411 11.4411 11.4587 11.4587 k =-0.2916 0.9283-0.0000 ( 4548 PWs) bands (ev): -39.6335 -39.6335 -39.6277 -39.6277 -18.6496 -18.6496 -18.6321 -18.6321 -18.1689 -18.1689 -18.1525 -18.1525 -18.1194 -18.1194 -18.0945 -18.0945 -0.5113 -0.5113 -0.4206 -0.4206 1.1538 1.1538 3.6120 3.6120 4.9046 4.9046 6.7188 6.7188 7.0318 7.0318 7.9264 7.9264 8.8695 8.8695 9.6412 9.6412 9.8513 9.8513 10.3391 10.3391 10.5129 10.5129 11.3717 11.3717 11.5049 11.5049 k =-0.2855 0.9517-0.0000 ( 4556 PWs) bands (ev): -39.6335 -39.6335 -39.6276 -39.6276 -18.6499 -18.6499 -18.6324 -18.6324 -18.1693 -18.1693 -18.1530 -18.1530 -18.1194 -18.1194 -18.0943 -18.0943 -0.4152 -0.4152 -0.4105 -0.4105 1.0420 1.0420 3.6105 3.6105 4.8834 4.8834 6.6916 6.6916 7.0628 7.0628 7.9118 7.9118 8.9231 8.9231 9.5715 9.5715 9.9181 9.9181 10.3577 10.3577 10.4402 10.4402 11.2995 11.2995 11.5518 11.5518 k =-0.2793 0.9752-0.0000 ( 4556 PWs) bands (ev): -39.6334 -39.6334 -39.6276 -39.6276 -18.6501 -18.6501 -18.6327 -18.6327 -18.1697 -18.1697 -18.1534 -18.1534 -18.1195 -18.1195 -18.0942 -18.0942 -0.4062 -0.4062 -0.3165 -0.3165 0.9360 0.9360 3.6028 3.6028 4.8663 4.8663 6.6743 6.6743 7.0969 7.0969 7.8988 7.8988 8.9751 8.9751 9.5021 9.5021 9.9825 9.9825 10.3632 10.3632 10.3824 10.3824 11.2309 11.2309 11.5937 11.5937 k =-0.2732 0.9987-0.0000 ( 4560 PWs) bands (ev): -39.6334 -39.6334 -39.6276 -39.6276 -18.6503 -18.6503 -18.6329 -18.6329 -18.1700 -18.1700 -18.1537 -18.1537 -18.1195 -18.1195 -18.0941 -18.0941 -0.4081 -0.4081 -0.2153 -0.2153 0.8362 0.8362 3.5887 3.5887 4.8541 4.8541 6.6671 6.6671 7.1339 7.1339 7.8874 7.8874 9.0253 9.0253 9.4335 9.4335 10.0428 10.0428 10.2830 10.2830 10.4127 10.4127 11.1678 11.1678 11.6290 11.6290 k =-0.2671 1.0221-0.0000 ( 4564 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6504 -18.6504 -18.6330 -18.6330 -18.1703 -18.1703 -18.1540 -18.1540 -18.1196 -18.1196 -18.0940 -18.0940 -0.4173 -0.4173 -0.1117 -0.1117 0.7435 0.7435 3.5682 3.5682 4.8470 4.8470 6.6701 6.6701 7.1732 7.1732 7.8776 7.8776 9.0735 9.0735 9.3660 9.3660 10.0968 10.0968 10.2001 10.2001 10.4488 10.4488 11.1126 11.1126 11.6566 11.6566 k =-0.2671 1.0221-0.0000 ( 4564 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6504 -18.6504 -18.6330 -18.6330 -18.1703 -18.1703 -18.1540 -18.1540 -18.1196 -18.1196 -18.0940 -18.0940 -0.4173 -0.4173 -0.1117 -0.1117 0.7435 0.7435 3.5682 3.5682 4.8470 4.8470 6.6701 6.6701 7.1732 7.1732 7.8776 7.8776 9.0735 9.0735 9.3660 9.3660 10.0968 10.0968 10.2001 10.2001 10.4488 10.4488 11.1126 11.1126 11.6566 11.6566 k =-0.2671 1.0221 0.0241 ( 4556 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6504 -18.6504 -18.6331 -18.6331 -18.1702 -18.1702 -18.1540 -18.1540 -18.1196 -18.1196 -18.0941 -18.0941 -0.4162 -0.4162 -0.1104 -0.1104 0.7447 0.7447 3.5673 3.5673 4.8486 4.8486 6.6708 6.6708 7.1730 7.1730 7.8727 7.8727 9.0547 9.0547 9.3659 9.3659 10.0911 10.0911 10.1855 10.1855 10.4621 10.4621 11.1187 11.1187 11.6563 11.6563 k =-0.2671 1.0221 0.0482 ( 4558 PWs) bands (ev): -39.6334 -39.6334 -39.6275 -39.6275 -18.6505 -18.6505 -18.6331 -18.6331 -18.1702 -18.1702 -18.1540 -18.1540 -18.1197 -18.1197 -18.0942 -18.0942 -0.4129 -0.4129 -0.1066 -0.1066 0.7485 0.7485 3.5647 3.5647 4.8534 4.8534 6.6730 6.6730 7.1724 7.1724 7.8583 7.8583 9.0011 9.0011 9.3651 9.3651 10.0732 10.0732 10.1430 10.1430 10.5005 10.5005 11.1366 11.1366 11.6553 11.6553 k =-0.2671 1.0221 0.0724 ( 4557 PWs) bands (ev): -39.6333 -39.6333 -39.6275 -39.6275 -18.6505 -18.6505 -18.6332 -18.6332 -18.1701 -18.1701 -18.1540 -18.1540 -18.1200 -18.1200 -18.0945 -18.0945 -0.4073 -0.4073 -0.1002 -0.1002 0.7547 0.7547 3.5603 3.5603 4.8613 4.8613 6.6766 6.6766 7.1712 7.1712 7.8348 7.8348 8.9191 8.9191 9.3633 9.3633 10.0423 10.0423 10.0758 10.0758 10.5591 10.5591 11.1652 11.1652 11.6532 11.6532 k =-0.2671 1.0221 0.0965 ( 4555 PWs) bands (ev): -39.6333 -39.6333 -39.6275 -39.6275 -18.6505 -18.6505 -18.6333 -18.6333 -18.1700 -18.1700 -18.1541 -18.1541 -18.1203 -18.1203 -18.0949 -18.0949 -0.3996 -0.3996 -0.0913 -0.0913 0.7635 0.7635 3.5541 3.5541 4.8725 4.8725 6.6814 6.6814 7.1691 7.1691 7.8034 7.8034 8.8163 8.8163 9.3588 9.3588 9.9868 9.9868 10.0009 10.0009 10.6312 10.6312 11.2028 11.2028 11.6499 11.6499 k =-0.2671 1.0221 0.1206 ( 4547 PWs) bands (ev): -39.6332 -39.6332 -39.6275 -39.6275 -18.6506 -18.6506 -18.6335 -18.6335 -18.1698 -18.1698 -18.1541 -18.1541 -18.1207 -18.1207 -18.0953 -18.0953 -0.3896 -0.3896 -0.0798 -0.0798 0.7747 0.7747 3.5459 3.5459 4.8868 4.8868 6.6873 6.6873 7.1659 7.1659 7.7650 7.7650 8.6992 8.6992 9.3491 9.3491 9.8858 9.8858 9.9472 9.9472 10.7106 10.7106 11.2481 11.2481 11.6454 11.6454 k =-0.2671 1.0221 0.1447 ( 4545 PWs) bands (ev): -39.6331 -39.6331 -39.6274 -39.6274 -18.6507 -18.6507 -18.6337 -18.6337 -18.1697 -18.1697 -18.1542 -18.1542 -18.1211 -18.1211 -18.0959 -18.0959 -0.3774 -0.3774 -0.0658 -0.0658 0.7883 0.7883 3.5358 3.5358 4.9043 4.9043 6.6941 6.6941 7.1609 7.1609 7.7210 7.7210 8.5732 8.5732 9.3295 9.3295 9.7777 9.7777 9.8859 9.8859 10.7917 10.7917 11.2998 11.2998 11.6400 11.6400 k =-0.2671 1.0221 0.1689 ( 4540 PWs) bands (ev): -39.6331 -39.6331 -39.6274 -39.6274 -18.6507 -18.6507 -18.6339 -18.6339 -18.1695 -18.1695 -18.1542 -18.1542 -18.1217 -18.1217 -18.0966 -18.0966 -0.3631 -0.3631 -0.0493 -0.0493 0.8044 0.8044 3.5236 3.5236 4.9249 4.9249 6.7013 6.7013 7.1533 7.1533 7.6729 7.6729 8.4425 8.4425 9.2919 9.2919 9.6742 9.6742 9.8184 9.8184 10.8709 10.8709 11.3569 11.3569 11.6346 11.6346 k =-0.2671 1.0221 0.1930 ( 4540 PWs) bands (ev): -39.6330 -39.6330 -39.6274 -39.6274 -18.6508 -18.6508 -18.6342 -18.6342 -18.1693 -18.1693 -18.1543 -18.1543 -18.1223 -18.1223 -18.0974 -18.0974 -0.3465 -0.3465 -0.0303 -0.0303 0.8229 0.8229 3.5091 3.5091 4.9486 4.9486 6.7087 6.7087 7.1419 7.1419 7.6220 7.6220 8.3109 8.3109 9.2247 9.2247 9.5893 9.5893 9.7458 9.7458 10.9456 10.9456 11.4186 11.4186 11.6300 11.6300 k =-0.2671 1.0221 0.2171 ( 4536 PWs) bands (ev): -39.6329 -39.6329 -39.6273 -39.6273 -18.6510 -18.6510 -18.6345 -18.6345 -18.1690 -18.1690 -18.1544 -18.1544 -18.1230 -18.1230 -18.0982 -18.0982 -0.3277 -0.3277 -0.0087 -0.0087 0.8438 0.8438 3.4923 3.4923 4.9753 4.9753 6.7158 6.7158 7.1249 7.1249 7.5698 7.5698 8.1820 8.1820 9.1229 9.1229 9.5300 9.5300 9.6694 9.6694 11.0145 11.0145 11.4835 11.4835 11.6270 11.6270 k =-0.2671 1.0221 0.2412 ( 4540 PWs) bands (ev): -39.6327 -39.6327 -39.6273 -39.6273 -18.6511 -18.6511 -18.6349 -18.6349 -18.1688 -18.1688 -18.1546 -18.1546 -18.1237 -18.1237 -18.0992 -18.0992 -0.3068 -0.3068 0.0153 0.0153 0.8670 0.8670 3.4730 3.4730 5.0051 5.0051 6.7219 6.7219 7.1000 7.1000 7.5176 7.5176 8.0595 8.0595 8.9941 8.9941 9.4903 9.4903 9.5901 9.5901 11.0773 11.0773 11.5499 11.5499 11.6269 11.6269 k =-0.2671 1.0221 0.2653 ( 4532 PWs) bands (ev): -39.6326 -39.6326 -39.6272 -39.6272 -18.6512 -18.6512 -18.6352 -18.6352 -18.1685 -18.1685 -18.1547 -18.1547 -18.1245 -18.1245 -18.1002 -18.1002 -0.2836 -0.2836 0.0417 0.0417 0.8924 0.8924 3.4510 3.4510 5.0378 5.0378 6.7263 6.7263 7.0641 7.0641 7.4668 7.4668 7.9476 7.9476 8.8494 8.8494 9.4596 9.4596 9.5097 9.5097 11.1342 11.1342 11.6072 11.6072 11.6394 11.6394 k =-0.2671 1.0221 0.2895 ( 4527 PWs) bands (ev): -39.6325 -39.6325 -39.6272 -39.6272 -18.6513 -18.6513 -18.6356 -18.6356 -18.1682 -18.1682 -18.1548 -18.1548 -18.1254 -18.1254 -18.1013 -18.1013 -0.2583 -0.2583 0.0706 0.0706 0.9201 0.9201 3.4262 3.4262 5.0735 5.0735 6.7283 6.7283 7.0138 7.0138 7.4185 7.4185 7.8506 7.8506 8.6965 8.6965 9.4158 9.4158 9.4445 9.4445 11.1858 11.1858 11.6228 11.6228 11.6962 11.6962 k =-0.2671 1.0221 0.3136 ( 4532 PWs) bands (ev): -39.6323 -39.6323 -39.6271 -39.6271 -18.6515 -18.6515 -18.6361 -18.6361 -18.1679 -18.1679 -18.1550 -18.1550 -18.1262 -18.1262 -18.1024 -18.1024 -0.2308 -0.2308 0.1020 0.1020 0.9500 0.9500 3.3984 3.3984 5.1121 5.1121 6.7270 6.7270 6.9464 6.9464 7.3737 7.3737 7.7718 7.7718 8.5401 8.5401 9.3355 9.3355 9.4151 9.4151 11.2331 11.2331 11.6299 11.6299 11.7632 11.7632 k =-0.2671 1.0221 0.3377 ( 4539 PWs) bands (ev): -39.6322 -39.6322 -39.6271 -39.6271 -18.6517 -18.6517 -18.6366 -18.6366 -18.1676 -18.1676 -18.1552 -18.1552 -18.1272 -18.1272 -18.1036 -18.1036 -0.2012 -0.2012 0.1356 0.1356 0.9819 0.9819 3.3676 3.3676 5.1535 5.1535 6.7219 6.7219 6.8612 6.8612 7.3329 7.3329 7.7124 7.7124 8.3833 8.3833 9.2501 9.2501 9.3890 9.3890 11.2767 11.2767 11.6384 11.6384 11.8296 11.8296 k =-0.2671 1.0221 0.3618 ( 4539 PWs) bands (ev): -39.6320 -39.6320 -39.6270 -39.6270 -18.6519 -18.6519 -18.6371 -18.6371 -18.1673 -18.1673 -18.1554 -18.1554 -18.1281 -18.1281 -18.1049 -18.1049 -0.1694 -0.1694 0.1717 0.1717 1.0159 1.0159 3.3335 3.3335 5.1976 5.1976 6.7119 6.7119 6.7607 6.7607 7.2960 7.2960 7.6709 7.6709 8.2287 8.2287 9.1636 9.1636 9.3618 9.3618 11.3174 11.3174 11.6494 11.6494 11.8938 11.8938 k =-0.2671 1.0221 0.3860 ( 4539 PWs) bands (ev): -39.6318 -39.6318 -39.6270 -39.6270 -18.6520 -18.6520 -18.6376 -18.6376 -18.1670 -18.1670 -18.1557 -18.1557 -18.1290 -18.1290 -18.1061 -18.1061 -0.1354 -0.1354 0.2101 0.2101 1.0518 1.0518 3.2960 3.2960 5.2444 5.2444 6.6437 6.6437 6.7016 6.7016 7.2615 7.2615 7.6442 7.6442 8.0792 8.0792 9.0767 9.0767 9.3327 9.3327 11.3559 11.3559 11.6628 11.6628 11.9547 11.9547 k =-0.2671 1.0221 0.4101 ( 4533 PWs) bands (ev): -39.6316 -39.6316 -39.6269 -39.6269 -18.6522 -18.6522 -18.6382 -18.6382 -18.1667 -18.1667 -18.1559 -18.1559 -18.1300 -18.1300 -18.1074 -18.1074 -0.0994 -0.0994 0.2507 0.2507 1.0895 1.0895 3.2551 3.2551 5.2938 5.2938 6.5213 6.5213 6.6842 6.6842 7.2259 7.2259 7.6288 7.6288 7.9389 7.9389 8.9898 8.9898 9.3018 9.3018 11.3927 11.3927 11.6787 11.6787 11.9904 11.9905 k =-0.2671 1.0221 0.4342 ( 4537 PWs) bands (ev): -39.6314 -39.6314 -39.6269 -39.6269 -18.6524 -18.6524 -18.6388 -18.6388 -18.1664 -18.1664 -18.1562 -18.1562 -18.1309 -18.1309 -18.1087 -18.1087 -0.0612 -0.0612 0.2935 0.2935 1.1289 1.1289 3.2108 3.2108 5.3456 5.3456 6.3925 6.3925 6.6649 6.6649 7.1836 7.1836 7.6219 7.6219 7.8129 7.8129 8.9031 8.9031 9.2689 9.2689 11.4282 11.4282 11.6969 11.6969 11.9906 11.9906 k =-0.2671 1.0221 0.4583 ( 4543 PWs) bands (ev): -39.6313 -39.6313 -39.6268 -39.6268 -18.6526 -18.6526 -18.6394 -18.6394 -18.1661 -18.1661 -18.1565 -18.1565 -18.1318 -18.1318 -18.1101 -18.1101 -0.0209 -0.0209 0.3386 0.3386 1.1698 1.1698 3.1630 3.1630 5.3998 5.3998 6.2605 6.2605 6.6442 6.6442 7.1270 7.1270 7.6210 7.6210 7.7083 7.7083 8.8169 8.8169 9.2341 9.2341 11.4629 11.4629 11.7173 11.7173 11.9884 11.9884 k =-0.2671 1.0221 0.4825 ( 4550 PWs) bands (ev): -39.6311 -39.6311 -39.6268 -39.6268 -18.6528 -18.6528 -18.6400 -18.6400 -18.1659 -18.1659 -18.1568 -18.1568 -18.1327 -18.1327 -18.1114 -18.1114 0.0214 0.0214 0.3857 0.3857 1.2122 1.2122 3.1116 3.1116 5.4560 5.4560 6.1273 6.1273 6.6230 6.6230 7.0498 7.0498 7.6212 7.6212 7.6342 7.6342 8.7315 8.7315 9.1978 9.1978 11.4970 11.4970 11.7394 11.7394 11.9844 11.9844 k =-0.2671 1.0221 0.5066 ( 4558 PWs) bands (ev): -39.6309 -39.6309 -39.6267 -39.6267 -18.6530 -18.6530 -18.6406 -18.6406 -18.1657 -18.1657 -18.1572 -18.1572 -18.1336 -18.1336 -18.1127 -18.1127 0.0658 0.0658 0.4349 0.4349 1.2557 1.2557 3.0569 3.0569 5.5139 5.5139 5.9949 5.9949 6.6019 6.6019 6.9512 6.9512 7.5786 7.5786 7.6333 7.6333 8.6474 8.6474 9.1601 9.1601 11.5308 11.5308 11.7627 11.7627 11.9793 11.9793 k =-0.2671 1.0221 0.5307 ( 4562 PWs) bands (ev): -39.6307 -39.6307 -39.6267 -39.6267 -18.6532 -18.6532 -18.6413 -18.6413 -18.1655 -18.1655 -18.1576 -18.1576 -18.1343 -18.1343 -18.1141 -18.1141 0.1123 0.1123 0.4860 0.4860 1.3002 1.3002 2.9989 2.9989 5.5721 5.5721 5.8655 5.8655 6.5805 6.5805 6.8373 6.8373 7.5496 7.5496 7.6426 7.6426 8.5647 8.5647 9.1212 9.1212 11.5646 11.5646 11.7863 11.7863 11.9740 11.9740 k =-0.2671 1.0221 0.5548 ( 4564 PWs) bands (ev): -39.6305 -39.6305 -39.6266 -39.6266 -18.6534 -18.6534 -18.6420 -18.6420 -18.1654 -18.1654 -18.1579 -18.1579 -18.1350 -18.1350 -18.1154 -18.1154 0.1607 0.1607 0.5390 0.5390 1.3454 1.3454 2.9377 2.9377 5.6218 5.6218 5.7488 5.7488 6.5548 6.5548 6.7191 6.7191 7.5346 7.5346 7.6535 7.6535 8.4841 8.4841 9.0813 9.0813 11.5985 11.5985 11.8086 11.8086 11.9705 11.9705 k =-0.2671 1.0221 0.5789 ( 4566 PWs) bands (ev): -39.6302 -39.6302 -39.6266 -39.6266 -18.6535 -18.6535 -18.6427 -18.6427 -18.1653 -18.1653 -18.1583 -18.1583 -18.1357 -18.1357 -18.1166 -18.1166 0.2112 0.2112 0.5938 0.5938 1.3911 1.3911 2.8735 2.8735 5.5811 5.5811 5.7273 5.7273 6.5030 6.5030 6.6242 6.6242 7.5279 7.5279 7.6649 7.6649 8.4061 8.4061 9.0408 9.0408 11.6326 11.6326 11.8270 11.8270 11.9717 11.9717 k =-0.2671 1.0221 0.6031 ( 4564 PWs) bands (ev): -39.6300 -39.6300 -39.6266 -39.6266 -18.6537 -18.6537 -18.6433 -18.6433 -18.1652 -18.1652 -18.1587 -18.1587 -18.1362 -18.1362 -18.1179 -18.1179 0.2636 0.2636 0.6503 0.6503 1.4370 1.4370 2.8066 2.8066 5.4675 5.4675 5.7840 5.7840 6.3969 6.3969 6.5843 6.5843 7.5256 7.5256 7.6759 7.6759 8.3316 8.3316 8.9999 8.9999 11.6669 11.6669 11.8383 11.8383 11.9811 11.9811 k =-0.2671 1.0221 0.6272 ( 4566 PWs) bands (ev): -39.6298 -39.6298 -39.6265 -39.6265 -18.6538 -18.6538 -18.6440 -18.6440 -18.1652 -18.1652 -18.1592 -18.1592 -18.1367 -18.1367 -18.1191 -18.1191 0.3180 0.3180 0.7083 0.7083 1.4825 1.4825 2.7370 2.7370 5.3505 5.3505 5.8501 5.8501 6.2675 6.2675 6.5710 6.5710 7.5248 7.5248 7.6850 7.6850 8.2618 8.2618 8.9587 8.9587 11.7015 11.7015 11.8413 11.8413 12.0003 12.0003 k =-0.2671 1.0221 0.6513 ( 4562 PWs) bands (ev): -39.6296 -39.6296 -39.6265 -39.6265 -18.6540 -18.6540 -18.6447 -18.6447 -18.1652 -18.1652 -18.1596 -18.1596 -18.1371 -18.1371 -18.1203 -18.1203 0.3742 0.3742 0.7676 0.7676 1.5274 1.5274 2.6652 2.6652 5.2369 5.2369 5.9191 5.9191 6.1335 6.1335 6.5672 6.5672 7.5236 7.5236 7.6905 7.6905 8.1985 8.1985 8.9174 8.9174 11.7363 11.7363 11.8383 11.8383 12.0277 12.0277 k =-0.2671 1.0221 0.6754 ( 4564 PWs) bands (ev): -39.6294 -39.6294 -39.6265 -39.6265 -18.6541 -18.6541 -18.6454 -18.6454 -18.1652 -18.1652 -18.1601 -18.1601 -18.1374 -18.1374 -18.1214 -18.1214 0.4323 0.4323 0.8282 0.8282 1.5710 1.5710 2.5913 2.5913 5.1284 5.1284 5.9855 5.9855 6.0040 6.0040 6.5692 6.5692 7.5206 7.5206 7.6898 7.6898 8.1443 8.1443 8.8763 8.8763 11.7710 11.7710 11.8325 11.8325 12.0609 12.0609 k =-0.2671 1.0221 0.6996 ( 4565 PWs) bands (ev): -39.6292 -39.6292 -39.6265 -39.6265 -18.6542 -18.6542 -18.6461 -18.6461 -18.1653 -18.1653 -18.1605 -18.1605 -18.1376 -18.1376 -18.1225 -18.1225 0.4922 0.4922 0.8897 0.8897 1.6129 1.6129 2.5156 2.5156 5.0260 5.0260 5.8662 5.8662 6.0632 6.0632 6.5760 6.5760 7.5146 7.5146 7.6798 7.6798 8.1020 8.1020 8.8353 8.8353 11.8035 11.8035 11.8283 11.8283 12.0977 12.0977 k =-0.2671 1.0221 0.7237 ( 4557 PWs) bands (ev): -39.6290 -39.6290 -39.6265 -39.6265 -18.6542 -18.6542 -18.6467 -18.6467 -18.1654 -18.1654 -18.1610 -18.1610 -18.1377 -18.1377 -18.1236 -18.1236 0.5539 0.5539 0.9519 0.9519 1.6524 1.6524 2.4386 2.4386 4.9305 4.9305 5.7366 5.7366 6.1366 6.1366 6.5872 6.5872 7.5049 7.5049 7.6584 7.6584 8.0742 8.0742 8.7947 8.7947 11.8149 11.8149 11.8462 11.8462 12.1370 12.1370 k =-0.2671 1.0221 0.7478 ( 4559 PWs) bands (ev): -39.6288 -39.6288 -39.6265 -39.6265 -18.6543 -18.6543 -18.6473 -18.6473 -18.1655 -18.1655 -18.1615 -18.1615 -18.1377 -18.1377 -18.1246 -18.1246 0.6172 0.6172 1.0146 1.0146 1.6888 1.6888 2.3603 2.3603 4.8429 4.8429 5.6103 5.6103 6.2108 6.2108 6.6025 6.6025 7.4906 7.4906 7.6252 7.6252 8.0613 8.0613 8.7545 8.7545 11.8131 11.8131 11.8792 11.8792 12.1779 12.1779 k =-0.2671 1.0221 0.7719 ( 4565 PWs) bands (ev): -39.6286 -39.6286 -39.6265 -39.6265 -18.6543 -18.6543 -18.6480 -18.6480 -18.1657 -18.1657 -18.1620 -18.1620 -18.1376 -18.1376 -18.1256 -18.1256 0.6822 0.6822 1.0773 1.0773 1.7214 1.7214 2.2813 2.2813 4.7640 4.7640 5.4880 5.4880 6.2856 6.2856 6.6217 6.6217 7.4712 7.4712 7.5822 7.5822 8.0613 8.0613 8.7146 8.7146 11.8132 11.8132 11.9125 11.9125 12.2197 12.2197 k =-0.2671 1.0221 0.7960 ( 4571 PWs) bands (ev): -39.6285 -39.6285 -39.6265 -39.6265 -18.6544 -18.6544 -18.6486 -18.6486 -18.1658 -18.1658 -18.1625 -18.1625 -18.1375 -18.1375 -18.1265 -18.1265 0.7486 0.7486 1.1396 1.1396 1.7494 1.7494 2.2020 2.2020 4.6947 4.6947 5.3701 5.3701 6.3606 6.3606 6.6447 6.6447 7.4461 7.4461 7.5330 7.5330 8.0713 8.0713 8.6752 8.6752 11.8168 11.8168 11.9447 11.9447 12.2619 12.2619 k =-0.2671 1.0221 0.8202 ( 4569 PWs) bands (ev): -39.6283 -39.6283 -39.6266 -39.6266 -18.6543 -18.6543 -18.6492 -18.6492 -18.1659 -18.1659 -18.1629 -18.1629 -18.1372 -18.1372 -18.1275 -18.1275 0.8166 0.8166 1.2009 1.2009 1.7722 1.7722 2.1227 2.1227 4.6359 4.6359 5.2571 5.2571 6.4356 6.4356 6.6712 6.6712 7.4145 7.4145 7.4810 7.4810 8.0884 8.0884 8.6361 8.6361 11.8245 11.8245 11.9745 11.9745 12.3038 12.3038 k =-0.2671 1.0221 0.8443 ( 4571 PWs) bands (ev): -39.6281 -39.6281 -39.6266 -39.6266 -18.6543 -18.6543 -18.6498 -18.6498 -18.1660 -18.1660 -18.1634 -18.1634 -18.1370 -18.1370 -18.1283 -18.1283 0.8858 0.8858 1.2604 1.2604 1.7889 1.7889 2.0441 2.0441 4.5883 4.5883 5.1497 5.1497 6.5101 6.5101 6.7012 6.7012 7.3755 7.3755 7.4293 7.4293 8.1107 8.1107 8.5973 8.5973 11.8365 11.8365 12.0011 12.0011 12.3446 12.3446 k =-0.2671 1.0221 0.8684 ( 4568 PWs) bands (ev): -39.6279 -39.6279 -39.6266 -39.6266 -18.6542 -18.6542 -18.6503 -18.6503 -18.1661 -18.1661 -18.1638 -18.1638 -18.1366 -18.1366 -18.1292 -18.1292 0.9561 0.9561 1.3169 1.3169 1.7992 1.7992 1.9672 1.9672 4.5526 4.5526 5.0483 5.0483 6.5837 6.5837 6.7343 6.7343 7.3290 7.3290 7.3795 7.3795 8.1368 8.1368 8.5588 8.5588 11.8527 11.8527 12.0232 12.0232 12.3827 12.3837 k =-0.2671 1.0221 0.8925 ( 4566 PWs) bands (ev): -39.6278 -39.6278 -39.6267 -39.6267 -18.6540 -18.6540 -18.6508 -18.6508 -18.1661 -18.1661 -18.1642 -18.1642 -18.1362 -18.1362 -18.1300 -18.1300 1.0274 1.0274 1.3686 1.3686 1.8026 1.8026 1.8933 1.8933 4.5295 4.5295 4.9535 4.9535 6.6557 6.6557 6.7706 6.7706 7.2776 7.2776 7.3310 7.3310 8.1656 8.1656 8.5205 8.5205 11.8728 11.8728 12.0392 12.0392 12.4137 12.4147 k =-0.2671 1.0221 0.9167 ( 4564 PWs) bands (ev): -39.6276 -39.6276 -39.6268 -39.6268 -18.6539 -18.6539 -18.6513 -18.6513 -18.1661 -18.1661 -18.1646 -18.1646 -18.1357 -18.1357 -18.1307 -18.1307 1.0992 1.0992 1.4122 1.4122 1.7991 1.7991 1.8254 1.8254 4.5191 4.5191 4.8661 4.8661 6.7251 6.7251 6.8098 6.8098 7.2244 7.2244 7.2818 7.2818 8.1965 8.1965 8.4825 8.4825 11.8961 11.8961 12.0479 12.0479 12.4265 12.4266 k =-0.2671 1.0221 0.9408 ( 4566 PWs) bands (ev): -39.6275 -39.6275 -39.6268 -39.6268 -18.6537 -18.6537 -18.6517 -18.6517 -18.1661 -18.1661 -18.1649 -18.1649 -18.1353 -18.1353 -18.1315 -18.1315 1.1710 1.1710 1.4417 1.4417 1.7690 1.7690 1.7891 1.7891 4.5217 4.5217 4.7867 4.7867 6.7905 6.7905 6.8516 6.8516 7.1721 7.1721 7.2315 7.2315 8.2291 8.2291 8.4448 8.4448 11.9217 11.9217 12.0486 12.0486 12.4365 12.4365 k =-0.2671 1.0221 0.9649 ( 4560 PWs) bands (ev): -39.6274 -39.6274 -39.6269 -39.6269 -18.6534 -18.6534 -18.6521 -18.6521 -18.1660 -18.1660 -18.1652 -18.1652 -18.1347 -18.1347 -18.1322 -18.1322 1.2419 1.2419 1.4471 1.4471 1.7334 1.7334 1.7735 1.7735 4.5370 4.5370 4.7161 4.7161 6.8487 6.8487 6.8948 6.8948 7.1237 7.1237 7.1816 7.1816 8.2631 8.2631 8.4074 8.4074 11.9482 11.9482 12.0413 12.0413 12.4462 12.4463 k =-0.2671 1.0221 0.9890 ( 4562 PWs) bands (ev): -39.6272 -39.6272 -39.6270 -39.6270 -18.6532 -18.6532 -18.6525 -18.6525 -18.1659 -18.1659 -18.1654 -18.1654 -18.1342 -18.1342 -18.1328 -18.1328 1.3102 1.3102 1.4219 1.4219 1.7247 1.7247 1.7544 1.7544 4.5648 4.5648 4.6550 4.6550 6.8943 6.8943 6.9338 6.9338 7.0853 7.0853 7.1374 7.1374 8.2981 8.2981 8.3704 8.3704 11.9734 11.9734 12.0277 12.0277 12.4553 12.4554 k =-0.2671 1.0221 1.0132 ( 4562 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6529 -18.6529 -18.6528 -18.6528 -18.1658 -18.1658 -18.1655 -18.1655 -18.1337 -18.1337 -18.1333 -18.1333 1.3725 1.3725 1.3727 1.3727 1.7354 1.7354 1.7357 1.7357 4.6028 4.6028 4.6059 4.6059 6.9142 6.9142 6.9511 6.9511 7.0698 7.0698 7.1162 7.1162 8.3338 8.3338 8.3340 8.3340 11.9882 11.9882 12.0168 12.0168 12.4613 12.4640 k =-0.2671 1.0221 1.0132 ( 4562 PWs) bands (ev): -39.6271 -39.6271 -39.6271 -39.6271 -18.6529 -18.6529 -18.6528 -18.6528 -18.1658 -18.1658 -18.1655 -18.1655 -18.1337 -18.1337 -18.1333 -18.1333 1.3725 1.3725 1.3727 1.3727 1.7354 1.7354 1.7357 1.7357 4.6028 4.6028 4.6059 4.6059 6.9142 6.9142 6.9511 6.9511 7.0698 7.0698 7.1162 7.1162 8.3338 8.3338 8.3340 8.3340 11.9882 11.9882 12.0168 12.0168 12.4627 12.4648 k =-0.2732 0.9987 1.0132 ( 4562 PWs) bands (ev): -39.6272 -39.6272 -39.6272 -39.6272 -18.6528 -18.6528 -18.6527 -18.6527 -18.1656 -18.1656 -18.1654 -18.1654 -18.1337 -18.1337 -18.1333 -18.1333 1.3598 1.3598 1.3599 1.3599 1.7245 1.7245 1.7248 1.7248 4.6283 4.6283 4.6316 4.6316 6.9328 6.9328 6.9679 6.9679 7.0914 7.0914 7.1371 7.1371 8.3115 8.3115 8.3121 8.3121 11.9749 11.9749 12.0020 12.0020 12.4626 12.4656 k =-0.2793 0.9752 1.0132 ( 4570 PWs) bands (ev): -39.6272 -39.6272 -39.6272 -39.6272 -18.6527 -18.6527 -18.6525 -18.6525 -18.1654 -18.1654 -18.1652 -18.1652 -18.1336 -18.1336 -18.1333 -18.1333 1.3411 1.3411 1.3411 1.3411 1.7133 1.7133 1.7137 1.7137 4.6635 4.6635 4.6670 4.6670 6.9524 6.9524 6.9866 6.9866 7.1113 7.1113 7.1571 7.1571 8.2901 8.2901 8.2917 8.2917 11.9569 11.9569 11.9825 11.9825 12.4680 12.4726 k =-0.2855 0.9517 1.0132 ( 4574 PWs) bands (ev): -39.6272 -39.6272 -39.6272 -39.6272 -18.6526 -18.6526 -18.6523 -18.6523 -18.1651 -18.1651 -18.1650 -18.1650 -18.1336 -18.1336 -18.1332 -18.1332 1.3168 1.3168 1.3170 1.3170 1.7017 1.7017 1.7021 1.7021 4.7081 4.7081 4.7118 4.7118 6.9734 6.9734 7.0074 7.0074 7.1291 7.1291 7.1759 7.1759 8.2699 8.2699 8.2723 8.2723 11.9382 11.9382 11.9624 11.9624 12.4745 12.4787 k =-0.2916 0.9283 1.0132 ( 4574 PWs) bands (ev): -39.6273 -39.6273 -39.6273 -39.6273 -18.6524 -18.6524 -18.6521 -18.6521 -18.1647 -18.1647 -18.1647 -18.1647 -18.1335 -18.1335 -18.1332 -18.1332 1.2879 1.2879 1.2881 1.2881 1.6895 1.6895 1.6899 1.6899 4.7617 4.7617 4.7657 4.7657 6.9954 6.9954 7.0301 7.0301 7.1448 7.1448 7.1933 7.1933 8.2507 8.2507 8.2539 8.2539 11.9215 11.9215 11.9444 11.9444 12.4799 12.4809 k =-0.2977 0.9048 1.0132 ( 4566 PWs) bands (ev): -39.6273 -39.6273 -39.6273 -39.6273 -18.6522 -18.6522 -18.6518 -18.6518 -18.1643 -18.1643 -18.1643 -18.1643 -18.1334 -18.1334 -18.1331 -18.1331 1.2550 1.2550 1.2554 1.2554 1.6765 1.6765 1.6769 1.6769 4.8237 4.8237 4.8280 4.8280 7.0182 7.0182 7.0540 7.0540 7.1592 7.1592 7.2098 7.2098 8.2325 8.2325 8.2365 8.2365 11.9086 11.9086 11.9304 11.9304 12.4839 12.4841 k =-0.3038 0.8814 1.0132 ( 4558 PWs) bands (ev): -39.6274 -39.6274 -39.6274 -39.6274 -18.6519 -18.6519 -18.6515 -18.6515 -18.1639 -18.1639 -18.1638 -18.1638 -18.1332 -18.1332 -18.1330 -18.1330 1.2189 1.2189 1.2194 1.2194 1.6625 1.6625 1.6629 1.6629 4.8937 4.8937 4.8984 4.8984 7.0409 7.0409 7.0775 7.0775 7.1735 7.1735 7.2259 7.2259 8.2153 8.2153 8.2199 8.2199 11.9006 11.9006 11.9215 11.9215 12.4857 12.4863 k =-0.3100 0.8579 1.0132 ( 4554 PWs) bands (ev): -39.6274 -39.6274 -39.6274 -39.6274 -18.6516 -18.6516 -18.6512 -18.6512 -18.1635 -18.1635 -18.1633 -18.1633 -18.1331 -18.1331 -18.1329 -18.1329 1.1800 1.1800 1.1807 1.1807 1.6475 1.6475 1.6479 1.6479 4.9710 4.9710 4.9761 4.9761 7.0623 7.0623 7.0984 7.0984 7.1899 7.1899 7.2428 7.2428 8.1990 8.1990 8.2042 8.2042 11.8979 11.8979 11.9180 11.9180 12.4865 12.4876 k =-0.3161 0.8344 1.0132 ( 4558 PWs) bands (ev): -39.6275 -39.6275 -39.6275 -39.6275 -18.6513 -18.6513 -18.6509 -18.6509 -18.1630 -18.1630 -18.1628 -18.1628 -18.1330 -18.1330 -18.1328 -18.1328 1.1392 1.1392 1.1399 1.1399 1.6316 1.6316 1.6318 1.6318 5.0551 5.0551 5.0608 5.0608 7.0812 7.0812 7.1139 7.1139 7.2108 7.2108 7.2614 7.2614 8.1840 8.1840 8.1897 8.1897 11.9008 11.9008 11.9202 11.9202 12.4859 12.4859 k =-0.3222 0.8110 1.0132 ( 4554 PWs) bands (ev): -39.6276 -39.6276 -39.6276 -39.6276 -18.6510 -18.6510 -18.6506 -18.6506 -18.1626 -18.1626 -18.1623 -18.1623 -18.1328 -18.1328 -18.1326 -18.1326 1.0968 1.0968 1.0976 1.0976 1.6147 1.6147 1.6149 1.6149 5.1455 5.1455 5.1517 5.1517 7.0963 7.0963 7.1231 7.1231 7.2372 7.2372 7.2828 7.2828 8.1705 8.1705 8.1766 8.1766 11.9091 11.9091 11.9280 11.9280 12.4841 12.4843 k =-0.3284 0.7875 1.0132 ( 4562 PWs) bands (ev): -39.6277 -39.6277 -39.6277 -39.6277 -18.6507 -18.6507 -18.6502 -18.6502 -18.1621 -18.1621 -18.1618 -18.1618 -18.1326 -18.1326 -18.1324 -18.1324 1.0532 1.0532 1.0542 1.0542 1.5970 1.5970 1.5971 1.5971 5.2414 5.2414 5.2483 5.2483 7.1071 7.1071 7.1267 7.1267 7.2676 7.2676 7.3072 7.3072 8.1590 8.1590 8.1654 8.1654 11.9226 11.9226 11.9410 11.9410 12.4804 12.4825 k =-0.3345 0.7641 1.0132 ( 4558 PWs) bands (ev): -39.6277 -39.6277 -39.6277 -39.6277 -18.6503 -18.6503 -18.6498 -18.6498 -18.1616 -18.1616 -18.1612 -18.1612 -18.1323 -18.1323 -18.1322 -18.1322 1.0090 1.0090 1.0101 1.0101 1.5786 1.5786 1.5787 1.5787 5.3424 5.3424 5.3501 5.3501 7.1136 7.1136 7.1266 7.1266 7.3002 7.3002 7.3341 7.3341 8.1502 8.1502 8.1569 8.1569 11.9406 11.9406 11.9586 11.9586 12.4719 12.4735 k =-0.3406 0.7406 1.0132 ( 4558 PWs) bands (ev): -39.6278 -39.6278 -39.6278 -39.6278 -18.6500 -18.6500 -18.6495 -18.6495 -18.1611 -18.1611 -18.1607 -18.1607 -18.1321 -18.1321 -18.1319 -18.1319 0.9645 0.9645 0.9656 0.9656 1.5597 1.5597 1.5597 1.5597 5.4478 5.4478 5.4564 5.4564 7.1166 7.1166 7.1239 7.1239 7.3331 7.3331 7.3624 7.3624 8.1450 8.1450 8.1519 8.1519 11.9626 11.9626 11.9802 11.9802 12.4539 12.4569 k =-0.3468 0.7171 1.0132 ( 4558 PWs) bands (ev): -39.6279 -39.6279 -39.6279 -39.6279 -18.6496 -18.6496 -18.6491 -18.6491 -18.1606 -18.1606 -18.1602 -18.1602 -18.1317 -18.1317 -18.1316 -18.1316 0.9199 0.9199 0.9211 0.9211 1.5403 1.5403 1.5403 1.5403 5.5569 5.5569 5.5666 5.5666 7.1169 7.1169 7.1196 7.1196 7.3647 7.3647 7.3905 7.3905 8.1443 8.1443 8.1512 8.1512 11.9875 11.9875 12.0048 12.0048 12.4232 12.4245 k =-0.3529 0.6937 1.0132 ( 4566 PWs) bands (ev): -39.6280 -39.6280 -39.6280 -39.6280 -18.6492 -18.6492 -18.6487 -18.6487 -18.1601 -18.1601 -18.1597 -18.1597 -18.1314 -18.1314 -18.1313 -18.1313 0.8756 0.8756 0.8769 0.8769 1.5206 1.5206 1.5207 1.5207 5.6689 5.6689 5.6799 5.6799 7.1145 7.1145 7.1154 7.1154 7.3936 7.3936 7.4171 7.4171 8.1493 8.1493 8.1561 8.1561 12.0141 12.0141 12.0310 12.0310 12.3820 12.3826 k =-0.3590 0.6702 1.0132 ( 4570 PWs) bands (ev): -39.6281 -39.6281 -39.6281 -39.6281 -18.6489 -18.6489 -18.6483 -18.6483 -18.1597 -18.1597 -18.1592 -18.1592 -18.1310 -18.1310 -18.1309 -18.1309 0.8318 0.8318 0.8331 0.8331 1.5007 1.5007 1.5009 1.5009 5.7832 5.7832 5.7956 5.7956 7.1094 7.1094 7.1132 7.1132 7.4187 7.4187 7.4406 7.4406 8.1609 8.1609 8.1675 8.1675 12.0404 12.0404 12.0569 12.0569 12.3356 12.3359 k =-0.3651 0.6468 1.0132 ( 4584 PWs) bands (ev): -39.6282 -39.6282 -39.6282 -39.6282 -18.6485 -18.6485 -18.6479 -18.6479 -18.1592 -18.1592 -18.1588 -18.1588 -18.1306 -18.1306 -18.1305 -18.1305 0.7887 0.7887 0.7900 0.7900 1.4808 1.4808 1.4810 1.4810 5.8986 5.8986 5.9126 5.9126 7.1052 7.1052 7.1112 7.1112 7.4390 7.4390 7.4602 7.4602 8.1800 8.1800 8.1863 8.1863 12.0623 12.0623 12.0779 12.0779 12.2902 12.2904 k =-0.3713 0.6233 1.0132 ( 4580 PWs) bands (ev): -39.6283 -39.6283 -39.6283 -39.6283 -18.6481 -18.6481 -18.6475 -18.6475 -18.1588 -18.1588 -18.1584 -18.1584 -18.1301 -18.1301 -18.1300 -18.1300 0.7465 0.7465 0.7479 0.7479 1.4611 1.4611 1.4613 1.4613 6.0139 6.0139 6.0298 6.0298 7.1031 7.1031 7.1105 7.1105 7.4542 7.4542 7.4753 7.4753 8.2072 8.2072 8.2129 8.2129 12.0710 12.0710 12.0844 12.0844 12.2545 12.2553 k =-0.3774 0.5998 1.0132 ( 4580 PWs) bands (ev): -39.6284 -39.6284 -39.6284 -39.6284 -18.6477 -18.6477 -18.6471 -18.6471 -18.1584 -18.1584 -18.1580 -18.1580 -18.1296 -18.1296 -18.1294 -18.1294 0.7055 0.7055 0.7068 0.7068 1.4415 1.4415 1.4418 1.4418 6.1276 6.1276 6.1455 6.1455 7.1044 7.1044 7.1127 7.1127 7.4640 7.4640 7.4859 7.4859 8.2424 8.2424 8.2475 8.2475 12.0527 12.0527 12.0625 12.0625 12.2424 12.2431 k =-0.3835 0.5764 1.0132 ( 4580 PWs) bands (ev): -39.6285 -39.6285 -39.6285 -39.6285 -18.6473 -18.6473 -18.6467 -18.6467 -18.1581 -18.1581 -18.1576 -18.1576 -18.1290 -18.1290 -18.1289 -18.1289 0.6657 0.6657 0.6670 0.6670 1.4223 1.4223 1.4226 1.4226 6.2373 6.2373 6.2572 6.2572 7.1112 7.1112 7.1194 7.1194 7.4691 7.4691 7.4925 7.4925 8.2853 8.2853 8.2895 8.2895 12.0066 12.0066 12.0142 12.0142 12.2548 12.2566 k =-0.3897 0.5529 1.0132 ( 4572 PWs) bands (ev): -39.6286 -39.6286 -39.6286 -39.6286 -18.6469 -18.6469 -18.6463 -18.6463 -18.1577 -18.1577 -18.1573 -18.1573 -18.1284 -18.1284 -18.1283 -18.1283 0.6273 0.6273 0.6286 0.6286 1.4035 1.4035 1.4038 1.4038 6.3402 6.3402 6.3619 6.3619 7.1265 7.1265 7.1331 7.1331 7.4700 7.4700 7.4962 7.4962 8.3352 8.3352 8.3383 8.3383 11.9441 11.9441 11.9514 11.9514 12.2801 12.2804 k =-0.3958 0.5295 1.0132 ( 4576 PWs) bands (ev): -39.6287 -39.6287 -39.6287 -39.6287 -18.6465 -18.6465 -18.6460 -18.6460 -18.1575 -18.1575 -18.1571 -18.1571 -18.1278 -18.1278 -18.1277 -18.1277 0.5904 0.5904 0.5917 0.5917 1.3852 1.3852 1.3856 1.3856 6.4326 6.4326 6.4554 6.4554 7.1538 7.1538 7.1562 7.1562 7.4679 7.4679 7.4985 7.4985 8.3912 8.3912 8.3932 8.3932 11.8725 11.8725 11.8804 11.8804 12.3107 12.3108 k =-0.4019 0.5060 1.0132 ( 4580 PWs) bands (ev): -39.6288 -39.6288 -39.6288 -39.6288 -18.6461 -18.6461 -18.6456 -18.6456 -18.1572 -18.1572 -18.1568 -18.1568 -18.1272 -18.1272 -18.1270 -18.1270 0.5551 0.5551 0.5564 0.5564 1.3676 1.3676 1.3679 1.3679 6.5108 6.5108 6.5334 6.5334 7.1909 7.1909 7.1967 7.1967 7.4639 7.4639 7.5017 7.5017 8.4525 8.4525 8.4531 8.4531 11.7948 11.7948 11.8039 11.8039 12.3432 12.3482 k =-0.4081 0.4825 1.0132 ( 4580 PWs) bands (ev): -39.6289 -39.6289 -39.6289 -39.6289 -18.6458 -18.6458 -18.6453 -18.6453 -18.1570 -18.1570 -18.1566 -18.1566 -18.1265 -18.1265 -18.1264 -18.1264 0.5216 0.5216 0.5228 0.5228 1.3506 1.3506 1.3510 1.3510 6.5721 6.5721 6.5929 6.5929 7.2363 7.2363 7.2565 7.2565 7.4602 7.4602 7.5098 7.5098 8.5174 8.5174 8.5184 8.5184 11.7123 11.7123 11.7229 11.7229 12.3814 12.3853 k =-0.4142 0.4591 1.0132 ( 4576 PWs) bands (ev): -39.6289 -39.6289 -39.6289 -39.6289 -18.6454 -18.6454 -18.6449 -18.6449 -18.1568 -18.1568 -18.1565 -18.1565 -18.1258 -18.1258 -18.1257 -18.1257 0.4899 0.4899 0.4911 0.4911 1.3344 1.3344 1.3348 1.3348 6.6160 6.6160 6.6341 6.6341 7.2858 7.2858 7.3276 7.3276 7.4624 7.4624 7.5297 7.5297 8.5855 8.5855 8.5884 8.5884 11.6254 11.6254 11.6377 11.6377 12.4090 12.4118 k =-0.4203 0.4356 1.0132 ( 4572 PWs) bands (ev): -39.6290 -39.6290 -39.6290 -39.6290 -18.6451 -18.6451 -18.6446 -18.6446 -18.1567 -18.1567 -18.1563 -18.1563 -18.1252 -18.1252 -18.1250 -18.1250 0.4601 0.4601 0.4612 0.4612 1.3190 1.3190 1.3194 1.3194 6.6449 6.6449 6.6598 6.6598 7.3269 7.3269 7.3836 7.3836 7.4939 7.4939 7.5716 7.5716 8.6569 8.6569 8.6619 8.6619 11.5344 11.5344 11.5486 11.5486 12.4346 12.4382 k =-0.4264 0.4122 1.0132 ( 4568 PWs) bands (ev): -39.6291 -39.6291 -39.6291 -39.6291 -18.6448 -18.6448 -18.6443 -18.6443 -18.1565 -18.1565 -18.1562 -18.1562 -18.1245 -18.1245 -18.1243 -18.1243 0.4322 0.4322 0.4333 0.4333 1.3046 1.3046 1.3049 1.3049 6.6622 6.6622 6.6741 6.6741 7.3510 7.3510 7.3979 7.3979 7.5770 7.5770 7.6405 7.6405 8.7312 8.7312 8.7387 8.7387 11.4394 11.4394 11.4556 11.4556 12.4489 12.4516 k =-0.4326 0.3887 1.0132 ( 4572 PWs) bands (ev): -39.6292 -39.6292 -39.6292 -39.6292 -18.6445 -18.6445 -18.6440 -18.6440 -18.1564 -18.1564 -18.1561 -18.1561 -18.1238 -18.1238 -18.1237 -18.1237 0.4064 0.4064 0.4074 0.4074 1.2910 1.2910 1.2914 1.2914 6.6712 6.6712 6.6806 6.6806 7.3609 7.3609 7.3951 7.3951 7.6828 7.6828 7.7295 7.7295 8.8084 8.8084 8.8187 8.8187 11.3404 11.3404 11.3587 11.3587 12.4515 12.4521 k =-0.4387 0.3652 1.0132 ( 4568 PWs) bands (ev): -39.6293 -39.6293 -39.6293 -39.6293 -18.6442 -18.6442 -18.6438 -18.6438 -18.1563 -18.1563 -18.1561 -18.1561 -18.1232 -18.1232 -18.1231 -18.1231 0.3827 0.3827 0.3836 0.3836 1.2785 1.2785 1.2789 1.2789 6.6746 6.6746 6.6820 6.6820 7.3629 7.3629 7.3883 7.3883 7.7946 7.7946 7.8289 7.8289 8.8886 8.8886 8.9019 8.9019 11.2374 11.2374 11.2579 11.2579 12.4439 12.4441 k =-0.4448 0.3418 1.0132 ( 4556 PWs) bands (ev): -39.6293 -39.6293 -39.6293 -39.6293 -18.6439 -18.6439 -18.6435 -18.6435 -18.1563 -18.1563 -18.1560 -18.1560 -18.1226 -18.1226 -18.1225 -18.1225 0.3611 0.3611 0.3619 0.3619 1.2671 1.2671 1.2674 1.2674 6.6744 6.6744 6.6803 6.6803 7.3611 7.3611 7.3805 7.3805 7.9065 7.9065 7.9314 7.9314 8.9720 8.9720 8.9886 8.9886 11.1307 11.1307 11.1533 11.1533 12.4317 12.4324 k =-0.4510 0.3183 1.0132 ( 4568 PWs) bands (ev): -39.6294 -39.6294 -39.6294 -39.6294 -18.6437 -18.6437 -18.6434 -18.6434 -18.1562 -18.1562 -18.1560 -18.1560 -18.1221 -18.1221 -18.1220 -18.1220 0.3417 0.3417 0.3424 0.3424 1.2567 1.2567 1.2570 1.2570 6.6720 6.6720 6.6767 6.6767 7.3574 7.3574 7.3726 7.3726 8.0146 8.0146 8.0323 8.0323 9.0589 9.0589 9.0790 9.0790 11.0203 11.0203 11.0450 11.0450 12.4176 12.4178 k =-0.4571 0.2949 1.0132 ( 4568 PWs) bands (ev): -39.6294 -39.6294 -39.6294 -39.6294 -18.6435 -18.6435 -18.6432 -18.6432 -18.1562 -18.1562 -18.1560 -18.1560 -18.1216 -18.1216 -18.1215 -18.1215 0.3244 0.3244 0.3251 0.3251 1.2475 1.2475 1.2478 1.2478 6.6684 6.6684 6.6721 6.6721 7.3532 7.3532 7.3652 7.3652 8.1160 8.1160 8.1280 8.1280 9.1499 9.1499 9.1734 9.1734 10.9068 10.9068 10.9334 10.9334 12.4020 12.4025 k =-0.4632 0.2714 1.0132 ( 4576 PWs) bands (ev): -39.6295 -39.6295 -39.6295 -39.6295 -18.6433 -18.6433 -18.6430 -18.6430 -18.1562 -18.1562 -18.1560 -18.1560 -18.1212 -18.1212 -18.1211 -18.1211 0.3095 0.3095 0.3101 0.3101 1.2395 1.2395 1.2397 1.2397 6.6643 6.6643 6.6671 6.6671 7.3489 7.3489 7.3584 7.3584 8.2082 8.2082 8.2157 8.2157 9.2453 9.2453 9.2718 9.2718 10.7907 10.7907 10.8189 10.8189 12.3868 12.3873 k =-0.4694 0.2479 1.0132 ( 4576 PWs) bands (ev): -39.6295 -39.6295 -39.6295 -39.6295 -18.6431 -18.6431 -18.6429 -18.6429 -18.1561 -18.1561 -18.1560 -18.1560 -18.1208 -18.1208 -18.1207 -18.1207 0.2968 0.2968 0.2973 0.2973 1.2326 1.2326 1.2328 1.2328 6.6602 6.6602 6.6623 6.6623 7.3450 7.3450 7.3524 7.3524 8.2891 8.2891 8.2931 8.2931 9.3450 9.3450 9.3739 9.3739 10.6729 10.6729 10.7025 10.7025 12.3715 12.3734 k =-0.4755 0.2245 1.0132 ( 4568 PWs) bands (ev): -39.6295 -39.6295 -39.6295 -39.6295 -18.6430 -18.6430 -18.6428 -18.6428 -18.1561 -18.1561 -18.1560 -18.1560 -18.1204 -18.1204 -18.1204 -18.1204 0.2864 0.2864 0.2868 0.2868 1.2270 1.2270 1.2271 1.2271 6.6564 6.6564 6.6580 6.6580 7.3418 7.3418 7.3474 7.3474 8.3569 8.3569 8.3586 8.3586 9.4481 9.4481 9.4786 9.4786 10.5553 10.5553 10.5855 10.5855 12.3585 12.3592 k =-0.4816 0.2010 1.0132 ( 4570 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6429 -18.6429 -18.6427 -18.6427 -18.1561 -18.1561 -18.1560 -18.1560 -18.1202 -18.1202 -18.1201 -18.1201 0.2783 0.2783 0.2786 0.2786 1.2226 1.2226 1.2227 1.2227 6.6533 6.6533 6.6544 6.6544 7.3392 7.3392 7.3433 7.3433 8.4103 8.4103 8.4106 8.4106 9.5524 9.5524 9.5828 9.5828 10.4407 10.4407 10.4705 10.4705 12.3473 12.3480 k =-0.4877 0.1776 1.0132 ( 4568 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6428 -18.6428 -18.6427 -18.6427 -18.1561 -18.1561 -18.1560 -18.1560 -18.1200 -18.1200 -18.1199 -18.1199 0.2725 0.2725 0.2727 0.2727 1.2194 1.2194 1.2195 1.2195 6.6509 6.6509 6.6517 6.6517 7.3375 7.3375 7.3401 7.3401 8.4485 8.4485 8.4488 8.4488 9.6529 9.6529 9.6804 9.6804 10.3358 10.3358 10.3626 10.3626 12.3390 12.3393 k =-0.4939 0.1541 1.0132 ( 4572 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1561 -18.1561 -18.1560 -18.1560 -18.1199 -18.1199 -18.1198 -18.1198 0.2690 0.2690 0.2691 0.2691 1.2176 1.2176 1.2176 1.2176 6.6496 6.6496 6.6499 6.6499 7.3366 7.3366 7.3380 7.3380 8.4715 8.4715 8.4718 8.4718 9.7375 9.7375 9.7561 9.7561 10.2556 10.2556 10.2737 10.2737 12.3332 12.3337 k =-0.5000 0.1306 1.0132 ( 4572 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1560 -18.1560 -18.1560 -18.1560 -18.1198 -18.1198 -18.1198 -18.1198 0.2679 0.2679 0.2679 0.2679 1.2169 1.2169 1.2169 1.2169 6.6492 6.6492 6.6492 6.6492 7.3368 7.3368 7.3368 7.3368 8.4793 8.4793 8.4793 8.4793 9.7804 9.7804 9.7804 9.7804 10.2296 10.2296 10.2296 10.2296 12.3316 12.3316 k =-0.5000 0.1306 1.0132 ( 4572 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1560 -18.1560 -18.1560 -18.1560 -18.1198 -18.1198 -18.1198 -18.1198 0.2679 0.2679 0.2679 0.2679 1.2169 1.2169 1.2169 1.2169 6.6492 6.6492 6.6492 6.6492 7.3368 7.3368 7.3368 7.3368 8.4793 8.4793 8.4793 8.4793 9.7804 9.7804 9.7804 9.7804 10.2296 10.2296 10.2296 10.2296 12.3315 12.3316 k =-0.5000 0.1306 0.9890 ( 4572 PWs) bands (ev): -39.6297 -39.6297 -39.6295 -39.6295 -18.6431 -18.6431 -18.6423 -18.6423 -18.1565 -18.1565 -18.1555 -18.1555 -18.1201 -18.1201 -18.1196 -18.1196 0.1647 0.1647 0.3678 0.3678 1.1346 1.1346 1.3056 1.3056 6.5590 6.5590 6.7427 6.7427 7.2528 7.2528 7.4223 7.4223 8.4490 8.4490 8.5112 8.5112 9.6877 9.6877 9.8737 9.8737 10.1351 10.1351 10.3255 10.3255 12.3236 12.3257 k =-0.5000 0.1306 0.9649 ( 4568 PWs) bands (ev): -39.6298 -39.6298 -39.6294 -39.6294 -18.6433 -18.6433 -18.6418 -18.6418 -18.1569 -18.1569 -18.1548 -18.1548 -18.1203 -18.1203 -18.1193 -18.1193 0.0607 0.0607 0.4591 0.4591 1.0640 1.0640 1.3977 1.3977 6.4728 6.4728 6.8384 6.8384 7.1713 7.1713 7.5090 7.5090 8.4201 8.4201 8.5448 8.5448 9.5963 9.5963 9.9638 9.9638 10.0457 10.0457 10.4225 10.4225 12.3091 12.3100 k =-0.5000 0.1306 0.9408 ( 4566 PWs) bands (ev): -39.6300 -39.6300 -39.6293 -39.6293 -18.6436 -18.6436 -18.6413 -18.6413 -18.1572 -18.1572 -18.1541 -18.1541 -18.1205 -18.1205 -18.1190 -18.1190 -0.0427 -0.0427 0.5302 0.5302 1.0170 1.0170 1.4919 1.4919 6.3909 6.3909 6.9314 6.9314 7.0971 7.0971 7.5965 7.5965 8.3926 8.3926 8.5802 8.5802 9.5065 9.5065 9.9419 9.9419 10.0696 10.0696 10.5202 10.5202 12.2883 12.2884 k =-0.5000 0.1306 0.9167 ( 4566 PWs) bands (ev): -39.6301 -39.6301 -39.6292 -39.6292 -18.6438 -18.6438 -18.6408 -18.6408 -18.1575 -18.1575 -18.1533 -18.1533 -18.1208 -18.1208 -18.1188 -18.1188 -0.1449 -0.1449 0.5622 0.5622 1.0126 1.0126 1.5871 1.5871 6.3137 6.3137 6.9698 6.9698 7.0818 7.0818 7.6847 7.6847 8.3661 8.3661 8.6174 8.6174 9.4189 9.4189 9.8527 9.8527 10.1622 10.1622 10.6185 10.6185 12.2605 12.2605 k =-0.5000 0.1306 0.8925 ( 4572 PWs) bands (ev): -39.6303 -39.6303 -39.6292 -39.6292 -18.6440 -18.6440 -18.6402 -18.6402 -18.1577 -18.1577 -18.1524 -18.1524 -18.1210 -18.1210 -18.1186 -18.1186 -0.2454 -0.2454 0.5456 0.5456 1.0605 1.0605 1.6824 1.6824 6.2417 6.2417 6.9091 6.9091 7.1697 7.1697 7.7734 7.7734 8.3406 8.3406 8.6566 8.6566 9.3337 9.3337 9.7630 9.7630 10.2562 10.2562 10.7172 10.7172 12.2250 12.2250 k =-0.5000 0.1306 0.8684 ( 4574 PWs) bands (ev): -39.6304 -39.6304 -39.6291 -39.6291 -18.6442 -18.6442 -18.6396 -18.6396 -18.1578 -18.1578 -18.1515 -18.1515 -18.1212 -18.1212 -18.1183 -18.1183 -0.3440 -0.3440 0.4945 0.4945 1.1464 1.1464 1.7774 1.7774 6.1752 6.1752 6.8343 6.8343 7.2758 7.2758 7.8622 7.8622 8.3159 8.3159 8.6978 8.6978 9.2514 9.2514 9.6745 9.6745 10.3496 10.3496 10.8160 10.8160 12.1814 12.1814 k =-0.5000 0.1306 0.8443 ( 4578 PWs) bands (ev): -39.6306 -39.6306 -39.6291 -39.6291 -18.6443 -18.6443 -18.6389 -18.6389 -18.1578 -18.1578 -18.1505 -18.1505 -18.1214 -18.1214 -18.1181 -18.1181 -0.4404 -0.4404 0.4266 0.4266 1.2531 1.2531 1.8715 1.8715 6.1146 6.1146 6.7585 6.7585 7.3867 7.3867 7.9508 7.9508 8.2920 8.2920 8.7410 8.7410 9.1724 9.1724 9.5874 9.5874 10.4417 10.4417 10.9147 10.9147 12.1298 12.1298 k =-0.5000 0.1306 0.8202 ( 4570 PWs) bands (ev): -39.6308 -39.6308 -39.6290 -39.6290 -18.6443 -18.6443 -18.6382 -18.6382 -18.1578 -18.1578 -18.1494 -18.1494 -18.1216 -18.1216 -18.1178 -18.1178 -0.5346 -0.5346 0.3512 0.3512 1.3711 1.3711 1.9640 1.9640 6.0605 6.0605 6.6835 6.6835 7.5004 7.5004 8.0379 8.0379 8.2696 8.2696 8.7864 8.7864 9.0972 9.0972 9.5020 9.5020 10.5321 10.5321 11.0130 11.0130 12.0713 12.0713 k =-0.5000 0.1306 0.7960 ( 4574 PWs) bands (ev): -39.6309 -39.6309 -39.6290 -39.6290 -18.6443 -18.6443 -18.6375 -18.6375 -18.1577 -18.1577 -18.1483 -18.1483 -18.1218 -18.1218 -18.1176 -18.1176 -0.6264 -0.6264 0.2727 0.2727 1.4962 1.4962 2.0544 2.0544 6.0133 6.0133 6.6099 6.6099 7.6161 7.6161 8.1196 8.1196 8.2522 8.2522 8.8339 8.8339 9.0261 9.0261 9.4183 9.4183 10.6204 10.6204 11.1104 11.1104 12.0072 12.0072 k =-0.5000 0.1306 0.7719 ( 4576 PWs) bands (ev): -39.6311 -39.6311 -39.6290 -39.6290 -18.6443 -18.6443 -18.6367 -18.6367 -18.1575 -18.1575 -18.1471 -18.1471 -18.1219 -18.1219 -18.1174 -18.1174 -0.7158 -0.7158 0.1934 0.1934 1.6261 1.6261 2.1421 2.1421 5.9736 5.9736 6.5377 6.5377 7.7333 7.7333 8.1715 8.1715 8.2634 8.2634 8.8836 8.8836 8.9598 8.9598 9.3366 9.3366 10.7059 10.7059 11.2061 11.2061 11.9387 11.9387 k =-0.5000 0.1306 0.7478 ( 4564 PWs) bands (ev): -39.6313 -39.6313 -39.6290 -39.6290 -18.6442 -18.6442 -18.6359 -18.6359 -18.1573 -18.1573 -18.1458 -18.1458 -18.1220 -18.1220 -18.1171 -18.1171 -0.8028 -0.8028 0.1143 0.1143 1.7597 1.7597 2.2266 2.2266 5.9419 5.9419 6.4672 6.4672 7.8510 7.8510 8.1669 8.1669 8.3300 8.3300 8.8987 8.8987 8.9355 8.9355 9.2571 9.2571 10.7883 10.7883 11.2992 11.2992 11.8668 11.8668 k =-0.5000 0.1306 0.7237 ( 4558 PWs) bands (ev): -39.6315 -39.6315 -39.6289 -39.6289 -18.6441 -18.6441 -18.6351 -18.6351 -18.1571 -18.1571 -18.1445 -18.1445 -18.1220 -18.1220 -18.1168 -18.1168 -0.8872 -0.8872 0.0361 0.0361 1.8965 1.8965 2.3072 2.3072 5.9187 5.9187 6.3985 6.3985 7.9669 7.9669 8.1459 8.1459 8.4130 8.4130 8.8432 8.8432 8.9895 8.9895 9.1800 9.1800 10.8673 10.8673 11.3878 11.3878 11.7922 11.7922 k =-0.5000 0.1306 0.6996 ( 4546 PWs) bands (ev): -39.6317 -39.6317 -39.6289 -39.6289 -18.6439 -18.6439 -18.6342 -18.6342 -18.1568 -18.1568 -18.1432 -18.1432 -18.1220 -18.1220 -18.1165 -18.1165 -0.9690 -0.9690 -0.0407 -0.0407 2.0359 2.0359 2.3833 2.3833 5.9045 5.9045 6.3316 6.3316 8.0616 8.0616 8.1406 8.1406 8.4984 8.4984 8.7938 8.7938 9.0446 9.0446 9.1069 9.1069 10.9423 10.9423 11.4683 11.4683 11.7157 11.7157 k =-0.5000 0.1306 0.6754 ( 4546 PWs) bands (ev): -39.6319 -39.6319 -39.6290 -39.6290 -18.6438 -18.6438 -18.6334 -18.6334 -18.1565 -18.1565 -18.1419 -18.1419 -18.1219 -18.1219 -18.1163 -18.1163 -1.0483 -1.0483 -0.1159 -0.1159 2.1778 2.1778 2.4545 2.4545 5.8998 5.8998 6.2667 6.2667 8.0617 8.0617 8.2254 8.2254 8.5833 8.5833 8.7506 8.7506 9.0320 9.0320 9.1071 9.1071 11.0132 11.0132 11.5339 11.5339 11.6379 11.6379 k =-0.5000 0.1306 0.6513 ( 4550 PWs) bands (ev): -39.6321 -39.6321 -39.6290 -39.6290 -18.6436 -18.6436 -18.6326 -18.6326 -18.1562 -18.1562 -18.1406 -18.1406 -18.1218 -18.1218 -18.1160 -18.1160 -1.1250 -1.1250 -0.1893 -0.1893 2.3217 2.3217 2.5201 2.5201 5.9049 5.9049 6.2038 6.2038 8.0293 8.0293 8.3373 8.3373 8.6658 8.6658 8.7150 8.7150 8.9669 8.9669 9.1671 9.1671 11.0796 11.0796 11.5524 11.5524 11.5809 11.5809 k =-0.5000 0.1306 0.6272 ( 4550 PWs) bands (ev): -39.6323 -39.6323 -39.6290 -39.6290 -18.6434 -18.6434 -18.6317 -18.6317 -18.1560 -18.1560 -18.1393 -18.1393 -18.1216 -18.1216 -18.1156 -18.1156 -1.1990 -1.1990 -0.2606 -0.2606 2.4676 2.4676 2.5800 2.5800 5.9200 5.9200 6.1433 6.1433 7.9911 7.9911 8.4459 8.4459 8.6796 8.6796 8.7519 8.7519 8.9096 8.9096 9.2302 9.2302 11.1414 11.1414 11.4749 11.4749 11.5872 11.5872 k =-0.5000 0.1306 0.6031 ( 4542 PWs) bands (ev): -39.6325 -39.6325 -39.6290 -39.6290 -18.6432 -18.6432 -18.6308 -18.6308 -18.1556 -18.1556 -18.1380 -18.1380 -18.1214 -18.1214 -18.1153 -18.1153 -1.2703 -1.2703 -0.3298 -0.3298 2.6152 2.6152 2.6337 2.6337 5.9445 5.9445 6.0860 6.0860 7.9500 7.9500 8.5386 8.5386 8.6543 8.6543 8.8302 8.8302 8.8717 8.8717 9.2959 9.2959 11.1982 11.1982 11.3934 11.3934 11.5717 11.5717 k =-0.5000 0.1306 0.5789 ( 4542 PWs) bands (ev): -39.6327 -39.6327 -39.6291 -39.6291 -18.6429 -18.6429 -18.6300 -18.6300 -18.1553 -18.1553 -18.1367 -18.1367 -18.1211 -18.1211 -18.1149 -18.1149 -1.3390 -1.3390 -0.3968 -0.3968 2.6809 2.6809 2.7645 2.7645 5.9729 5.9729 6.0375 6.0375 7.9069 7.9069 8.5907 8.5907 8.6325 8.6325 8.8729 8.8729 8.9103 8.9103 9.3638 9.3638 11.2480 11.2480 11.3129 11.3129 11.5432 11.5432 k =-0.5000 0.1306 0.5548 ( 4546 PWs) bands (ev): -39.6329 -39.6329 -39.6291 -39.6291 -18.6427 -18.6427 -18.6291 -18.6291 -18.1550 -18.1550 -18.1355 -18.1355 -18.1207 -18.1207 -18.1145 -18.1145 -1.4049 -1.4049 -0.4615 -0.4615 2.7218 2.7218 2.9152 2.9152 5.9590 5.9590 6.0441 6.0441 7.8625 7.8625 8.5849 8.5849 8.6157 8.6157 8.9356 8.9356 8.9838 8.9838 9.4341 9.4341 11.2210 11.2210 11.3035 11.3035 11.5096 11.5096 k =-0.5000 0.1306 0.5307 ( 4550 PWs) bands (ev): -39.6331 -39.6331 -39.6291 -39.6291 -18.6424 -18.6424 -18.6283 -18.6283 -18.1548 -18.1548 -18.1344 -18.1344 -18.1203 -18.1203 -18.1140 -18.1140 -1.4682 -1.4682 -0.5238 -0.5238 2.7565 2.7565 3.0670 3.0670 5.9114 5.9114 6.0968 6.0968 7.8176 7.8176 8.5448 8.5448 8.6045 8.6045 9.0294 9.0294 9.0553 9.0553 9.5067 9.5067 11.1375 11.1375 11.3453 11.3453 11.4753 11.4753 k =-0.5000 0.1306 0.5066 ( 4554 PWs) bands (ev): -39.6333 -39.6333 -39.6292 -39.6292 -18.6422 -18.6422 -18.6275 -18.6275 -18.1545 -18.1545 -18.1333 -18.1333 -18.1199 -18.1199 -18.1134 -18.1134 -1.5287 -1.5287 -0.5837 -0.5837 2.7852 2.7852 3.2199 3.2199 5.8621 5.8621 6.1635 6.1635 7.7725 7.7725 8.4938 8.4938 8.5961 8.5961 9.1149 9.1149 9.1416 9.1416 9.5816 9.5816 11.0515 11.0515 11.3842 11.3842 11.4426 11.4426 k =-0.5000 0.1306 0.4825 ( 4554 PWs) bands (ev): -39.6335 -39.6335 -39.6292 -39.6292 -18.6419 -18.6419 -18.6266 -18.6266 -18.1543 -18.1543 -18.1323 -18.1323 -18.1193 -18.1193 -18.1128 -18.1128 -1.5865 -1.5865 -0.6411 -0.6411 2.8083 2.8083 3.3737 3.3737 5.8142 5.8142 6.2406 6.2406 7.7278 7.7278 8.4394 8.4394 8.5902 8.5902 9.1771 9.1771 9.2487 9.2487 9.6587 9.6587 10.9644 10.9644 11.4125 11.4125 11.4201 11.4201 k =-0.5000 0.1306 0.4583 ( 4550 PWs) bands (ev): -39.6337 -39.6337 -39.6293 -39.6293 -18.6416 -18.6416 -18.6258 -18.6258 -18.1541 -18.1541 -18.1314 -18.1314 -18.1188 -18.1188 -18.1120 -18.1120 -1.6416 -1.6416 -0.6959 -0.6959 2.8263 2.8263 3.5280 3.5280 5.7683 5.7683 6.3270 6.3270 7.6839 7.6839 8.3844 8.3844 8.5867 8.5867 9.2318 9.2318 9.3562 9.3562 9.7382 9.7382 10.8765 10.8765 11.3877 11.3877 11.4512 11.4512 k =-0.5000 0.1306 0.4342 ( 4550 PWs) bands (ev): -39.6339 -39.6339 -39.6293 -39.6293 -18.6413 -18.6413 -18.6250 -18.6250 -18.1539 -18.1539 -18.1306 -18.1306 -18.1182 -18.1182 -18.1112 -18.1112 -1.6938 -1.6938 -0.7481 -0.7481 2.8395 2.8395 3.6826 3.6826 5.7245 5.7245 6.4219 6.4219 7.6410 7.6410 8.3296 8.3296 8.5852 8.5852 9.2797 9.2797 9.4608 9.4608 9.8198 9.8198 10.7883 10.7883 11.3675 11.3675 11.4792 11.4792 k =-0.5000 0.1306 0.4101 ( 4554 PWs) bands (ev): -39.6341 -39.6341 -39.6294 -39.6294 -18.6411 -18.6411 -18.6243 -18.6243 -18.1538 -18.1538 -18.1298 -18.1298 -18.1177 -18.1177 -18.1104 -18.1104 -1.7433 -1.7433 -0.7977 -0.7977 2.8487 2.8487 3.8371 3.8371 5.6831 5.6831 6.5244 6.5244 7.5995 7.5995 8.2757 8.2757 8.5852 8.5852 9.3203 9.3203 9.5606 9.5606 9.9036 9.9036 10.7002 10.7002 11.3527 11.3527 11.5041 11.5041 k =-0.5000 0.1306 0.3860 ( 4556 PWs) bands (ev): -39.6343 -39.6343 -39.6294 -39.6294 -18.6408 -18.6408 -18.6236 -18.6236 -18.1537 -18.1537 -18.1291 -18.1291 -18.1171 -18.1171 -18.1095 -18.1095 -1.7901 -1.7901 -0.8446 -0.8446 2.8543 2.8543 3.9913 3.9913 5.6440 5.6440 6.6337 6.6337 7.5596 7.5596 8.2229 8.2229 8.5867 8.5867 9.3530 9.3530 9.6539 9.6539 9.9895 9.9895 10.6132 10.6132 11.3438 11.3438 11.5260 11.5260 k =-0.5000 0.1306 0.3618 ( 4560 PWs) bands (ev): -39.6344 -39.6344 -39.6295 -39.6295 -18.6406 -18.6406 -18.6229 -18.6229 -18.1536 -18.1536 -18.1286 -18.1286 -18.1165 -18.1165 -18.1085 -18.1085 -1.8340 -1.8340 -0.8888 -0.8888 2.8569 2.8569 4.1447 4.1447 5.6075 5.6075 6.7492 6.7492 7.5215 7.5215 8.1712 8.1712 8.5892 8.5892 9.3773 9.3773 9.7386 9.7386 10.0775 10.0775 10.5289 10.5289 11.3410 11.3410 11.5452 11.5452 k =-0.5000 0.1306 0.3377 ( 4554 PWs) bands (ev): -39.6346 -39.6346 -39.6295 -39.6295 -18.6403 -18.6403 -18.6222 -18.6222 -18.1535 -18.1535 -18.1280 -18.1280 -18.1159 -18.1159 -18.1075 -18.1075 -1.8751 -1.8751 -0.9303 -0.9303 2.8571 2.8571 4.2967 4.2967 5.5736 5.5736 6.8699 6.8699 7.4853 7.4853 8.1205 8.1205 8.5926 8.5926 9.3928 9.3928 9.8114 9.8114 10.1675 10.1675 10.4499 10.4499 11.3440 11.3440 11.5619 11.5619 k =-0.5000 0.1306 0.3136 ( 4550 PWs) bands (ev): -39.6348 -39.6348 -39.6296 -39.6296 -18.6401 -18.6401 -18.6216 -18.6216 -18.1535 -18.1535 -18.1276 -18.1276 -18.1153 -18.1153 -18.1064 -18.1064 -1.9135 -1.9135 -0.9691 -0.9691 2.8553 2.8553 4.4467 4.4467 5.5424 5.5424 6.9951 6.9951 7.4512 7.4512 8.0710 8.0710 8.5966 8.5966 9.3994 9.3994 9.8673 9.8673 10.2595 10.2595 10.3812 10.3812 11.3526 11.3526 11.5764 11.5764 k =-0.5000 0.1306 0.2895 ( 4558 PWs) bands (ev): -39.6349 -39.6349 -39.6296 -39.6296 -18.6399 -18.6399 -18.6210 -18.6210 -18.1535 -18.1535 -18.1272 -18.1272 -18.1148 -18.1148 -18.1054 -18.1054 -1.9490 -1.9490 -1.0051 -1.0051 2.8520 2.8520 4.5939 4.5939 5.5143 5.5143 7.1239 7.1239 7.4193 7.4193 8.0225 8.0225 8.6010 8.6010 9.3968 9.3968 9.8983 9.8983 10.3302 10.3302 10.3540 10.3540 11.3662 11.3662 11.5888 11.5888 k =-0.5000 0.1306 0.2653 ( 4558 PWs) bands (ev): -39.6351 -39.6351 -39.6297 -39.6297 -18.6396 -18.6396 -18.6205 -18.6205 -18.1535 -18.1535 -18.1268 -18.1268 -18.1142 -18.1142 -18.1045 -18.1045 -1.9817 -1.9817 -1.0382 -1.0382 2.8477 2.8477 4.7372 4.7372 5.4897 5.4897 7.2553 7.2553 7.3899 7.3899 7.9749 7.9749 8.6057 8.6057 9.3851 9.3851 9.8966 9.8966 10.3066 10.3066 10.4493 10.4493 11.3841 11.3841 11.5993 11.5993 k =-0.5000 0.1306 0.2412 ( 4554 PWs) bands (ev): -39.6352 -39.6352 -39.6297 -39.6297 -18.6394 -18.6394 -18.6199 -18.6199 -18.1535 -18.1535 -18.1265 -18.1265 -18.1137 -18.1137 -18.1035 -18.1035 -2.0116 -2.0116 -1.0686 -1.0686 2.8425 2.8425 4.8749 4.8749 5.4694 5.4694 7.3582 7.3582 7.3936 7.3936 7.9281 7.9281 8.6106 8.6106 9.3644 9.3644 9.8632 9.8632 10.3091 10.3091 10.5467 10.5467 11.4054 11.4054 11.6081 11.6081 k =-0.5000 0.1306 0.2171 ( 4560 PWs) bands (ev): -39.6353 -39.6353 -39.6298 -39.6298 -18.6393 -18.6393 -18.6195 -18.6195 -18.1535 -18.1535 -18.1263 -18.1263 -18.1132 -18.1132 -18.1026 -18.1026 -2.0386 -2.0386 -1.0961 -1.0961 2.8370 2.8370 5.0042 5.0042 5.4552 5.4552 7.3358 7.3358 7.5262 7.5262 7.8823 7.8823 8.6153 8.6153 9.3345 9.3345 9.8090 9.8090 10.3279 10.3279 10.6457 10.6457 11.4292 11.4292 11.6152 11.6152 k =-0.5000 0.1306 0.1930 ( 4564 PWs) bands (ev): -39.6354 -39.6354 -39.6298 -39.6298 -18.6391 -18.6391 -18.6191 -18.6191 -18.1535 -18.1535 -18.1261 -18.1261 -18.1127 -18.1127 -18.1018 -18.1018 -2.0628 -2.0628 -1.1208 -1.1208 2.8314 2.8314 5.1200 5.1200 5.4510 5.4510 7.3132 7.3132 7.6617 7.6617 7.8376 7.8376 8.6200 8.6200 9.2957 9.2957 9.7454 9.7454 10.3530 10.3530 10.7460 10.7460 11.4542 11.4542 11.6206 11.6206 k =-0.5000 0.1306 0.1689 ( 4560 PWs) bands (ev): -39.6355 -39.6355 -39.6298 -39.6298 -18.6389 -18.6389 -18.6187 -18.6187 -18.1536 -18.1536 -18.1259 -18.1259 -18.1123 -18.1123 -18.1010 -18.1010 -2.0842 -2.0842 -1.1426 -1.1426 2.8259 2.8259 5.2117 5.2117 5.4660 5.4660 7.2929 7.2929 7.7857 7.7857 7.8059 7.8059 8.6243 8.6243 9.2481 9.2481 9.6798 9.6798 10.3788 10.3788 10.8474 10.8474 11.4797 11.4797 11.6243 11.6243 k =-0.5000 0.1306 0.1447 ( 4570 PWs) bands (ev): -39.6356 -39.6356 -39.6299 -39.6299 -18.6388 -18.6388 -18.6184 -18.6184 -18.1536 -18.1536 -18.1258 -18.1258 -18.1119 -18.1119 -18.1004 -18.1004 -2.1027 -2.1027 -1.1615 -1.1615 2.8207 2.8207 5.2664 5.2664 5.5114 5.5114 7.2750 7.2750 7.7509 7.7509 7.9334 7.9334 8.6283 8.6283 9.1917 9.1917 9.6167 9.6167 10.4023 10.4023 10.9493 10.9493 11.5043 11.5043 11.6260 11.6260 k =-0.5000 0.1306 0.1206 ( 4562 PWs) bands (ev): -39.6357 -39.6357 -39.6299 -39.6299 -18.6387 -18.6387 -18.6181 -18.6181 -18.1536 -18.1536 -18.1257 -18.1257 -18.1116 -18.1116 -18.0997 -18.0997 -2.1184 -2.1184 -1.1775 -1.1775 2.8161 2.8161 5.2882 5.2882 5.5810 5.5810 7.2596 7.2596 7.7119 7.7119 8.0662 8.0662 8.6318 8.6318 9.1266 9.1266 9.5592 9.5592 10.4225 10.4225 11.0512 11.0512 11.5272 11.5272 11.6253 11.6253 k =-0.5000 0.1306 0.0965 ( 4560 PWs) bands (ev): -39.6357 -39.6357 -39.6299 -39.6299 -18.6386 -18.6386 -18.6179 -18.6179 -18.1537 -18.1537 -18.1256 -18.1256 -18.1113 -18.1113 -18.0993 -18.0993 -2.1313 -2.1313 -1.1906 -1.1906 2.8121 2.8121 5.2939 5.2939 5.6555 5.6555 7.2466 7.2466 7.6764 7.6764 8.1964 8.1964 8.6348 8.6348 9.0531 9.0531 9.5094 9.5094 10.4389 10.4389 11.1520 11.1520 11.5474 11.5474 11.6212 11.6212 k =-0.5000 0.1306 0.0724 ( 4554 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6385 -18.6385 -18.6177 -18.6177 -18.1537 -18.1537 -18.1255 -18.1255 -18.1110 -18.1110 -18.0989 -18.0989 -2.1413 -2.1413 -1.2008 -1.2008 2.8089 2.8089 5.2939 5.2939 5.7221 5.7221 7.2363 7.2363 7.6462 7.6462 8.3230 8.3230 8.6373 8.6373 8.9714 8.9714 9.4690 9.4690 10.4515 10.4515 11.2500 11.2500 11.5637 11.5637 11.6121 11.6121 k =-0.5000 0.1306 0.0482 ( 4550 PWs) bands (ev): -39.6358 -39.6358 -39.6299 -39.6299 -18.6385 -18.6385 -18.6176 -18.6176 -18.1537 -18.1537 -18.1254 -18.1254 -18.1109 -18.1109 -18.0986 -18.0986 -2.1484 -2.1484 -1.2081 -1.2081 2.8065 2.8065 5.2924 5.2924 5.7737 5.7737 7.2287 7.2287 7.6229 7.6229 8.4448 8.4448 8.6390 8.6390 8.8820 8.8820 9.4392 9.4392 10.4603 10.4603 11.3422 11.3422 11.5738 11.5739 11.5966 11.5966 k =-0.5000 0.1306 0.0241 ( 4554 PWs) bands (ev): -39.6358 -39.6358 -39.6300 -39.6300 -18.6384 -18.6384 -18.6175 -18.6175 -18.1537 -18.1537 -18.1254 -18.1254 -18.1108 -18.1108 -18.0984 -18.0984 -2.1527 -2.1527 -1.2125 -1.2125 2.8050 2.8050 5.2910 5.2910 5.8063 5.8063 7.2241 7.2241 7.6081 7.6081 8.5599 8.5599 8.6402 8.6402 8.7865 8.7865 9.4210 9.4210 10.4656 10.4656 11.4227 11.4227 11.5597 11.5597 11.5891 11.5891 k =-0.5000 0.1306 0.0000 ( 4548 PWs) bands (ev): -39.6358 -39.6358 -39.6300 -39.6300 -18.6384 -18.6384 -18.6175 -18.6175 -18.1537 -18.1537 -18.1254 -18.1254 -18.1107 -18.1107 -18.0984 -18.0984 -2.1541 -2.1541 -1.2140 -1.2140 2.8046 2.8046 5.2905 5.2905 5.8175 5.8175 7.2225 7.2225 7.6031 7.6031 8.6371 8.6371 8.6473 8.6473 8.7091 8.7091 9.4148 9.4148 10.4673 10.4673 11.4682 11.4682 11.5341 11.5341 11.5904 11.5904 k = 0.0000 0.0000 1.0132 ( 4532 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1550 -18.1550 -18.1550 -18.1550 -18.1209 -18.1209 -18.1209 -18.1209 0.0756 0.0756 0.0756 0.0756 1.6608 1.6608 1.6608 1.6608 5.1757 5.1757 5.1757 5.1757 8.3137 8.3137 8.3137 8.3137 9.1404 9.1404 9.1404 9.1404 10.3197 10.3197 10.3197 10.3197 10.8477 10.8477 10.8477 10.8477 11.6252 11.6252 k =-0.0227 0.0059 1.0132 ( 4540 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1550 -18.1550 -18.1550 -18.1550 -18.1209 -18.1209 -18.1209 -18.1209 0.0764 0.0764 0.0764 0.0764 1.6586 1.6586 1.6586 1.6586 5.1804 5.1804 5.1804 5.1804 8.3144 8.3144 8.3144 8.3144 9.1347 9.1347 9.1347 9.1347 10.3163 10.3163 10.3163 10.3163 10.8344 10.8344 10.8344 10.8344 11.6406 11.6406 k =-0.0455 0.0119 1.0132 ( 4552 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1551 -18.1551 -18.1551 -18.1551 -18.1209 -18.1209 -18.1209 -18.1209 0.0787 0.0787 0.0787 0.0787 1.6519 1.6519 1.6519 1.6519 5.1946 5.1946 5.1946 5.1946 8.3164 8.3164 8.3164 8.3164 9.1176 9.1176 9.1176 9.1176 10.3064 10.3064 10.3064 10.3064 10.7981 10.7981 10.7981 10.7981 11.6832 11.6832 k =-0.0682 0.0178 1.0132 ( 4554 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1551 -18.1551 -18.1551 -18.1551 -18.1209 -18.1209 -18.1209 -18.1209 0.0824 0.0824 0.0824 0.0824 1.6409 1.6409 1.6409 1.6409 5.2181 5.2181 5.2181 5.2181 8.3197 8.3197 8.3197 8.3197 9.0891 9.0891 9.0891 9.0891 10.2904 10.2904 10.2904 10.2904 10.7465 10.7465 10.7465 10.7465 11.7449 11.7449 k =-0.0909 0.0238 1.0132 ( 4558 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1552 -18.1552 -18.1552 -18.1552 -18.1208 -18.1208 -18.1208 -18.1208 0.0877 0.0877 0.0877 0.0877 1.6259 1.6259 1.6259 1.6259 5.2506 5.2506 5.2506 5.2506 8.3243 8.3243 8.3243 8.3243 9.0488 9.0488 9.0489 9.0489 10.2688 10.2688 10.2688 10.2688 10.6874 10.6874 10.6874 10.6874 11.8176 11.8176 k =-0.1136 0.0297 1.0132 ( 4554 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1552 -18.1552 -18.1552 -18.1552 -18.1208 -18.1208 -18.1208 -18.1208 0.0943 0.0943 0.0943 0.0943 1.6071 1.6071 1.6071 1.6071 5.2918 5.2918 5.2918 5.2918 8.3301 8.3301 8.3301 8.3301 8.9971 8.9971 8.9971 8.9971 10.2424 10.2424 10.2424 10.2424 10.6265 10.6265 10.6265 10.6265 11.8947 11.8947 k =-0.1364 0.0356 1.0132 ( 4558 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1552 -18.1552 -18.1552 -18.1552 -18.1207 -18.1207 -18.1207 -18.1207 0.1023 0.1023 0.1023 0.1023 1.5851 1.5851 1.5851 1.5851 5.3413 5.3413 5.3413 5.3413 8.3370 8.3370 8.3370 8.3370 8.9338 8.9338 8.9338 8.9338 10.2121 10.2121 10.2121 10.2121 10.5677 10.5677 10.5677 10.5677 11.9711 11.9711 k =-0.1591 0.0416 1.0132 ( 4554 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1553 -18.1553 -18.1553 -18.1553 -18.1207 -18.1207 -18.1207 -18.1207 0.1116 0.1116 0.1116 0.1116 1.5602 1.5602 1.5602 1.5602 5.3988 5.3988 5.3988 5.3988 8.3449 8.3449 8.3449 8.3449 8.8596 8.8596 8.8596 8.8596 10.1788 10.1788 10.1788 10.1788 10.5131 10.5131 10.5131 10.5131 12.0429 12.0429 k =-0.1818 0.0475 1.0132 ( 4546 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6425 -18.6425 -18.6425 -18.6425 -18.1553 -18.1553 -18.1553 -18.1553 -18.1206 -18.1206 -18.1206 -18.1206 0.1220 0.1220 0.1220 0.1220 1.5330 1.5330 1.5330 1.5330 5.4636 5.4636 5.4636 5.4636 8.3536 8.3536 8.3536 8.3536 8.7752 8.7752 8.7752 8.7752 10.1433 10.1433 10.1433 10.1433 10.4641 10.4641 10.4641 10.4641 12.1074 12.1074 k =-0.2045 0.0534 1.0132 ( 4556 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6426 -18.6426 -18.6426 -18.6426 -18.1554 -18.1554 -18.1554 -18.1554 -18.1205 -18.1205 -18.1205 -18.1205 0.1334 0.1334 0.1335 0.1335 1.5040 1.5040 1.5040 1.5040 5.5353 5.5353 5.5353 5.5353 8.3627 8.3627 8.3627 8.3627 8.6819 8.6819 8.6819 8.6819 10.1064 10.1064 10.1064 10.1064 10.4209 10.4209 10.4209 10.4209 12.1626 12.1626 k =-0.2273 0.0594 1.0132 ( 4558 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6426 -18.6426 -18.6426 -18.6426 -18.1555 -18.1555 -18.1555 -18.1555 -18.1204 -18.1204 -18.1204 -18.1204 0.1458 0.1458 0.1458 0.1458 1.4737 1.4737 1.4737 1.4737 5.6133 5.6133 5.6133 5.6133 8.3715 8.3715 8.3715 8.3715 8.5816 8.5816 8.5816 8.5816 10.0689 10.0689 10.0689 10.0689 10.3837 10.3837 10.3837 10.3837 12.2077 12.2077 k =-0.2500 0.0653 1.0132 ( 4566 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6426 -18.6426 -18.6426 -18.6426 -18.1556 -18.1556 -18.1556 -18.1556 -18.1204 -18.1204 -18.1204 -18.1204 0.1588 0.1588 0.1588 0.1588 1.4428 1.4428 1.4428 1.4428 5.6971 5.6971 5.6971 5.6971 8.3757 8.3757 8.3757 8.3757 8.4795 8.4795 8.4795 8.4795 10.0314 10.0314 10.0314 10.0314 10.3521 10.3521 10.3521 10.3521 12.2432 12.2432 k =-0.2727 0.0713 1.0132 ( 4560 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6426 -18.6426 -18.6426 -18.6426 -18.1556 -18.1556 -18.1556 -18.1556 -18.1203 -18.1203 -18.1203 -18.1203 0.1723 0.1723 0.1723 0.1723 1.4117 1.4117 1.4117 1.4117 5.7861 5.7861 5.7861 5.7861 8.3346 8.3346 8.3346 8.3346 8.4176 8.4176 8.4176 8.4176 9.9946 9.9946 9.9946 9.9946 10.3255 10.3255 10.3255 10.3255 12.2702 12.2702 k =-0.2955 0.0772 1.0132 ( 4586 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1557 -18.1557 -18.1557 -18.1557 -18.1202 -18.1202 -18.1202 -18.1202 0.1861 0.1861 0.1861 0.1861 1.3810 1.3810 1.3810 1.3810 5.8796 5.8796 5.8796 5.8796 8.2273 8.2273 8.2273 8.2273 8.4178 8.4178 8.4178 8.4178 9.9590 9.9590 9.9590 9.9590 10.3033 10.3033 10.3033 10.3033 12.2901 12.2901 k =-0.3182 0.0831 1.0132 ( 4586 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1558 -18.1558 -18.1558 -18.1558 -18.1202 -18.1202 -18.1202 -18.1202 0.1999 0.1999 0.1999 0.1999 1.3514 1.3514 1.3514 1.3514 5.9770 5.9770 5.9771 5.9771 8.1084 8.1084 8.1084 8.1084 8.4268 8.4268 8.4268 8.4268 9.9253 9.9253 9.9253 9.9253 10.2851 10.2851 10.2851 10.2851 12.3044 12.3044 k =-0.3409 0.0891 1.0132 ( 4576 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1558 -18.1558 -18.1558 -18.1558 -18.1201 -18.1201 -18.1201 -18.1201 0.2133 0.2133 0.2133 0.2133 1.3233 1.3233 1.3233 1.3233 6.0776 6.0776 6.0776 6.0776 7.9867 7.9867 7.9867 7.9867 8.4368 8.4368 8.4368 8.4368 9.8941 9.8941 9.8941 9.8941 10.2703 10.2703 10.2703 10.2703 12.3145 12.3145 k =-0.3636 0.0950 1.0132 ( 4578 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1559 -18.1559 -18.1559 -18.1559 -18.1200 -18.1200 -18.1200 -18.1200 0.2260 0.2260 0.2260 0.2260 1.2974 1.2974 1.2974 1.2974 6.1801 6.1801 6.1801 6.1801 7.8646 7.8646 7.8646 7.8646 8.4467 8.4467 8.4467 8.4467 9.8657 9.8657 9.8657 9.8657 10.2584 10.2584 10.2584 10.2584 12.3213 12.3213 k =-0.3864 0.1010 1.0132 ( 4574 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1559 -18.1559 -18.1559 -18.1559 -18.1200 -18.1200 -18.1200 -18.1200 0.2377 0.2377 0.2377 0.2377 1.2743 1.2743 1.2743 1.2743 6.2832 6.2832 6.2832 6.2832 7.7442 7.7442 7.7442 7.7442 8.4558 8.4558 8.4558 8.4558 9.8407 9.8407 9.8407 9.8407 10.2489 10.2489 10.2489 10.2489 12.3258 12.3258 k =-0.4091 0.1069 1.0132 ( 4574 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1560 -18.1560 -18.1560 -18.1560 -18.1199 -18.1199 -18.1199 -18.1199 0.2479 0.2479 0.2479 0.2479 1.2545 1.2545 1.2545 1.2545 6.3846 6.3846 6.3846 6.3846 7.6282 7.6282 7.6282 7.6282 8.4638 8.4638 8.4638 8.4638 9.8196 9.8196 9.8196 9.8196 10.2416 10.2416 10.2416 10.2416 12.3286 12.3286 k =-0.4318 0.1128 1.0132 ( 4578 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1560 -18.1560 -18.1560 -18.1560 -18.1199 -18.1199 -18.1199 -18.1199 0.2564 0.2564 0.2564 0.2564 1.2384 1.2384 1.2384 1.2384 6.4807 6.4807 6.4807 6.4807 7.5205 7.5205 7.5205 7.5205 8.4704 8.4704 8.4704 8.4704 9.8027 9.8027 9.8027 9.8027 10.2362 10.2362 10.2362 10.2362 12.3302 12.3302 k =-0.4545 0.1188 1.0132 ( 4576 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1560 -18.1560 -18.1560 -18.1560 -18.1198 -18.1198 -18.1198 -18.1198 0.2627 0.2627 0.2627 0.2627 1.2266 1.2266 1.2266 1.2266 6.5650 6.5650 6.5650 6.5650 7.4278 7.4278 7.4278 7.4278 8.4753 8.4753 8.4753 8.4753 9.7904 9.7904 9.7904 9.7904 10.2325 10.2325 10.2325 10.2325 12.3310 12.3310 k =-0.4773 0.1247 1.0132 ( 4580 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1560 -18.1560 -18.1560 -18.1560 -18.1198 -18.1198 -18.1198 -18.1198 0.2666 0.2666 0.2666 0.2666 1.2194 1.2194 1.2194 1.2194 6.6261 6.6261 6.6261 6.6261 7.3616 7.3616 7.3616 7.3616 8.4783 8.4783 8.4783 8.4783 9.7830 9.7830 9.7830 9.7830 10.2303 10.2303 10.2303 10.2303 12.3314 12.3314 k =-0.5000 0.1306 1.0132 ( 4572 PWs) bands (ev): -39.6296 -39.6296 -39.6296 -39.6296 -18.6427 -18.6427 -18.6427 -18.6427 -18.1560 -18.1560 -18.1560 -18.1560 -18.1198 -18.1198 -18.1198 -18.1198 0.2679 0.2679 0.2679 0.2679 1.2169 1.2169 1.2169 1.2169 6.6492 6.6492 6.6492 6.6492 7.3368 7.3368 7.3368 7.3368 8.4793 8.4793 8.4793 8.4793 9.7804 9.7804 9.7804 9.7804 10.2296 10.2296 10.2296 10.2296 12.3316 12.3316 Writing output data file ScGe2.save init_run : 0.30s CPU 0.49s WALL ( 1 calls) electrons : 415.73s CPU 421.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 415.72s CPU 420.99s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 410 calls) cegterg : 393.21s CPU 397.82s WALL ( 1516 calls) Called by sum_band: Called by *egterg: h_psi : 211.17s CPU 213.97s WALL ( 28834 calls) s_psi : 8.52s CPU 8.42s WALL ( 28834 calls) g_psi : 0.47s CPU 0.51s WALL ( 26908 calls) cdiaghg : 152.04s CPU 153.64s WALL ( 27318 calls) cegterg:over : 12.17s CPU 12.32s WALL ( 26908 calls) cegterg:upda : 14.81s CPU 15.14s WALL ( 26908 calls) cegterg:last : 4.87s CPU 4.81s WALL ( 2851 calls) cdiaghg:chol : 8.44s CPU 8.57s WALL ( 27318 calls) cdiaghg:inve : 5.36s CPU 5.41s WALL ( 27318 calls) cdiaghg:para : 8.24s CPU 8.30s WALL ( 54636 calls) Called by h_psi: h_psi:vloc : 189.50s CPU 191.87s WALL ( 28834 calls) h_psi:vnl : 21.14s CPU 21.59s WALL ( 28834 calls) add_vuspsi : 10.12s CPU 10.41s WALL ( 28834 calls) General routines calbec : 10.95s CPU 11.10s WALL ( 28834 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 167.58s CPU 169.49s WALL ( 1547624 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.27s WALL ( 820 calls) Parallel routines fft_scatter : 46.84s CPU 47.42s WALL ( 1547647 calls) PWSCF : 7m14.23s CPU 7m38.09s WALL This run was terminated on: 19:16: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=