Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:18:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ge2N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 29 8 1856 815 126 Max 51 30 9 1863 834 131 Sum 2437 1421 409 89279 39505 6155 bravais-lattice index = 14 lattice parameter (alat) = 10.2803 a.u. unit-cell volume = 905.9555 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.280304 celldm(2)= 1.000000 celldm(3)= 0.932887 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448385 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448385 0.893841 0.000000 ) a(3) = ( 0.000000 0.000000 0.932887 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.501638 -0.000000 ) b(2) = ( 0.000000 1.118768 -0.000000 ) b(3) = ( 0.000000 0.000000 1.071941 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4664434 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0090845 0.0147206 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0181691 0.0294413 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0272536 0.0441619 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0363381 0.0588825 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0454227 0.0736031 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0545072 0.0883238 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0635917 0.1030444 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0726762 0.1177650 -0.0000000), wk = 0.0028090 k( 10) = ( 0.0817608 0.1324856 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0908453 0.1472063 -0.0000000), wk = 0.0028090 k( 12) = ( 0.0999298 0.1619269 -0.0000000), wk = 0.0028090 k( 13) = ( 0.1090144 0.1766475 -0.0000000), wk = 0.0028090 k( 14) = ( 0.1180989 0.1913682 -0.0000000), wk = 0.0028090 k( 15) = ( 0.1271834 0.2060888 -0.0000000), wk = 0.0028090 k( 16) = ( 0.1362679 0.2208094 -0.0000000), wk = 0.0028090 k( 17) = ( 0.1453525 0.2355300 -0.0000000), wk = 0.0028090 k( 18) = ( 0.1544370 0.2502507 -0.0000000), wk = 0.0028090 k( 19) = ( 0.1635215 0.2649713 -0.0000000), wk = 0.0028090 k( 20) = ( 0.1726061 0.2796919 -0.0000000), wk = 0.0028090 k( 21) = ( 0.1816906 0.2944125 -0.0000000), wk = 0.0028090 k( 22) = ( 0.1907751 0.3091332 -0.0000000), wk = 0.0028090 k( 23) = ( 0.1998597 0.3238538 -0.0000000), wk = 0.0028090 k( 24) = ( 0.2089442 0.3385744 -0.0000000), wk = 0.0028090 k( 25) = ( 0.2180287 0.3532951 -0.0000000), wk = 0.0028090 k( 26) = ( 0.2271132 0.3680157 -0.0000000), wk = 0.0028090 k( 27) = ( 0.2361978 0.3827363 -0.0000000), wk = 0.0028090 k( 28) = ( 0.2452823 0.3974569 -0.0000000), wk = 0.0028090 k( 29) = ( 0.2543668 0.4121776 -0.0000000), wk = 0.0028090 k( 30) = ( 0.2634514 0.4268982 -0.0000000), wk = 0.0028090 k( 31) = ( 0.2725359 0.4416188 -0.0000000), wk = 0.0028090 k( 32) = ( 0.2816204 0.4563394 -0.0000000), wk = 0.0028090 k( 33) = ( 0.2907050 0.4710601 -0.0000000), wk = 0.0028090 k( 34) = ( 0.2997895 0.4857807 -0.0000000), wk = 0.0028090 k( 35) = ( 0.3088740 0.5005013 -0.0000000), wk = 0.0028090 k( 36) = ( 0.3179586 0.5152219 -0.0000000), wk = 0.0028090 k( 37) = ( 0.3270431 0.5299426 -0.0000000), wk = 0.0028090 k( 38) = ( 0.3361276 0.5446632 -0.0000000), wk = 0.0028090 k( 39) = ( 0.3452121 0.5593838 -0.0000000), wk = 0.0028090 k( 40) = ( 0.3452121 0.5593838 -0.0000000), wk = 0.0028090 k( 41) = ( 0.3279515 0.5593838 -0.0000000), wk = 0.0028090 k( 42) = ( 0.3106909 0.5593838 -0.0000000), wk = 0.0028090 k( 43) = ( 0.2934303 0.5593838 -0.0000000), wk = 0.0028090 k( 44) = ( 0.2761697 0.5593838 -0.0000000), wk = 0.0028090 k( 45) = ( 0.2589091 0.5593838 -0.0000000), wk = 0.0028090 k( 46) = ( 0.2416485 0.5593838 -0.0000000), wk = 0.0028090 k( 47) = ( 0.2243879 0.5593838 -0.0000000), wk = 0.0028090 k( 48) = ( 0.2071273 0.5593838 -0.0000000), wk = 0.0028090 k( 49) = ( 0.1898667 0.5593838 -0.0000000), wk = 0.0028090 k( 50) = ( 0.1726061 0.5593838 -0.0000000), wk = 0.0028090 k( 51) = ( 0.1553455 0.5593838 -0.0000000), wk = 0.0028090 k( 52) = ( 0.1380849 0.5593838 -0.0000000), wk = 0.0028090 k( 53) = ( 0.1208242 0.5593838 -0.0000000), wk = 0.0028090 k( 54) = ( 0.1035636 0.5593838 -0.0000000), wk = 0.0028090 k( 55) = ( 0.0863030 0.5593838 -0.0000000), wk = 0.0028090 k( 56) = ( 0.0690424 0.5593838 -0.0000000), wk = 0.0028090 k( 57) = ( 0.0517818 0.5593838 -0.0000000), wk = 0.0028090 k( 58) = ( 0.0345212 0.5593838 -0.0000000), wk = 0.0028090 k( 59) = ( 0.0172606 0.5593838 -0.0000000), wk = 0.0028090 k( 60) = ( 0.0000000 0.5593838 -0.0000000), wk = 0.0028090 k( 61) = ( 0.0000000 0.5593838 -0.0000000), wk = 0.0028090 k( 62) = ( 0.0000000 0.5593838 0.0172894), wk = 0.0028090 k( 63) = ( 0.0000000 0.5593838 0.0345788), wk = 0.0028090 k( 64) = ( 0.0000000 0.5593838 0.0518681), wk = 0.0028090 k( 65) = ( 0.0000000 0.5593838 0.0691575), wk = 0.0028090 k( 66) = ( 0.0000000 0.5593838 0.0864469), wk = 0.0028090 k( 67) = ( 0.0000000 0.5593838 0.1037363), wk = 0.0028090 k( 68) = ( 0.0000000 0.5593838 0.1210257), wk = 0.0028090 k( 69) = ( 0.0000000 0.5593838 0.1383150), wk = 0.0028090 k( 70) = ( 0.0000000 0.5593838 0.1556044), wk = 0.0028090 k( 71) = ( 0.0000000 0.5593838 0.1728938), wk = 0.0028090 k( 72) = ( 0.0000000 0.5593838 0.1901832), wk = 0.0028090 k( 73) = ( 0.0000000 0.5593838 0.2074725), wk = 0.0028090 k( 74) = ( 0.0000000 0.5593838 0.2247619), wk = 0.0028090 k( 75) = ( 0.0000000 0.5593838 0.2420513), wk = 0.0028090 k( 76) = ( 0.0000000 0.5593838 0.2593407), wk = 0.0028090 k( 77) = ( 0.0000000 0.5593838 0.2766301), wk = 0.0028090 k( 78) = ( 0.0000000 0.5593838 0.2939194), wk = 0.0028090 k( 79) = ( 0.0000000 0.5593838 0.3112088), wk = 0.0028090 k( 80) = ( 0.0000000 0.5593838 0.3284982), wk = 0.0028090 k( 81) = ( 0.0000000 0.5593838 0.3457876), wk = 0.0028090 k( 82) = ( 0.0000000 0.5593838 0.3630769), wk = 0.0028090 k( 83) = ( 0.0000000 0.5593838 0.3803663), wk = 0.0028090 k( 84) = ( 0.0000000 0.5593838 0.3976557), wk = 0.0028090 k( 85) = ( 0.0000000 0.5593838 0.4149451), wk = 0.0028090 k( 86) = ( 0.0000000 0.5593838 0.4322345), wk = 0.0028090 k( 87) = ( 0.0000000 0.5593838 0.4495238), wk = 0.0028090 k( 88) = ( 0.0000000 0.5593838 0.4668132), wk = 0.0028090 k( 89) = ( 0.0000000 0.5593838 0.4841026), wk = 0.0028090 k( 90) = ( 0.0000000 0.5593838 0.5013920), wk = 0.0028090 k( 91) = ( 0.0000000 0.5593838 0.5186814), wk = 0.0028090 k( 92) = ( 0.0000000 0.5593838 0.5359707), wk = 0.0028090 k( 93) = ( 0.0000000 0.5593838 0.5359707), wk = 0.0028090 k( 94) = ( 0.0172606 0.5593838 0.5359707), wk = 0.0028090 k( 95) = ( 0.0345212 0.5593838 0.5359707), wk = 0.0028090 k( 96) = ( 0.0517818 0.5593838 0.5359707), wk = 0.0028090 k( 97) = ( 0.0690424 0.5593838 0.5359707), wk = 0.0028090 k( 98) = ( 0.0863030 0.5593838 0.5359707), wk = 0.0028090 k( 99) = ( 0.1035636 0.5593838 0.5359707), wk = 0.0028090 k( 100) = ( 0.1208242 0.5593838 0.5359707), wk = 0.0028090 k( 101) = ( 0.1380849 0.5593838 0.5359707), wk = 0.0028090 k( 102) = ( 0.1553455 0.5593838 0.5359707), wk = 0.0028090 k( 103) = ( 0.1726061 0.5593838 0.5359707), wk = 0.0028090 k( 104) = ( 0.1898667 0.5593838 0.5359707), wk = 0.0028090 k( 105) = ( 0.2071273 0.5593838 0.5359707), wk = 0.0028090 k( 106) = ( 0.2243879 0.5593838 0.5359707), wk = 0.0028090 k( 107) = ( 0.2416485 0.5593838 0.5359707), wk = 0.0028090 k( 108) = ( 0.2589091 0.5593838 0.5359707), wk = 0.0028090 k( 109) = ( 0.2761697 0.5593838 0.5359707), wk = 0.0028090 k( 110) = ( 0.2934303 0.5593838 0.5359707), wk = 0.0028090 k( 111) = ( 0.3106909 0.5593838 0.5359707), wk = 0.0028090 k( 112) = ( 0.3279515 0.5593838 0.5359707), wk = 0.0028090 k( 113) = ( 0.3452121 0.5593838 0.5359707), wk = 0.0028090 k( 114) = ( 0.3452121 0.5593838 0.5359707), wk = 0.0028090 k( 115) = ( 0.3361276 0.5446632 0.5359707), wk = 0.0028090 k( 116) = ( 0.3270431 0.5299426 0.5359707), wk = 0.0028090 k( 117) = ( 0.3179586 0.5152219 0.5359707), wk = 0.0028090 k( 118) = ( 0.3088740 0.5005013 0.5359707), wk = 0.0028090 k( 119) = ( 0.2997895 0.4857807 0.5359707), wk = 0.0028090 k( 120) = ( 0.2907050 0.4710601 0.5359707), wk = 0.0028090 k( 121) = ( 0.2816204 0.4563394 0.5359707), wk = 0.0028090 k( 122) = ( 0.2725359 0.4416188 0.5359707), wk = 0.0028090 k( 123) = ( 0.2634514 0.4268982 0.5359707), wk = 0.0028090 k( 124) = ( 0.2543668 0.4121776 0.5359707), wk = 0.0028090 k( 125) = ( 0.2452823 0.3974569 0.5359707), wk = 0.0028090 k( 126) = ( 0.2361978 0.3827363 0.5359707), wk = 0.0028090 k( 127) = ( 0.2271132 0.3680157 0.5359707), wk = 0.0028090 k( 128) = ( 0.2180287 0.3532951 0.5359707), wk = 0.0028090 k( 129) = ( 0.2089442 0.3385744 0.5359707), wk = 0.0028090 k( 130) = ( 0.1998597 0.3238538 0.5359707), wk = 0.0028090 k( 131) = ( 0.1907751 0.3091332 0.5359707), wk = 0.0028090 k( 132) = ( 0.1816906 0.2944125 0.5359707), wk = 0.0028090 k( 133) = ( 0.1726061 0.2796919 0.5359707), wk = 0.0028090 k( 134) = ( 0.1635215 0.2649713 0.5359707), wk = 0.0028090 k( 135) = ( 0.1544370 0.2502507 0.5359707), wk = 0.0028090 k( 136) = ( 0.1453525 0.2355300 0.5359707), wk = 0.0028090 k( 137) = ( 0.1362679 0.2208094 0.5359707), wk = 0.0028090 k( 138) = ( 0.1271834 0.2060888 0.5359707), wk = 0.0028090 k( 139) = ( 0.1180989 0.1913682 0.5359707), wk = 0.0028090 k( 140) = ( 0.1090144 0.1766475 0.5359707), wk = 0.0028090 k( 141) = ( 0.0999298 0.1619269 0.5359707), wk = 0.0028090 k( 142) = ( 0.0908453 0.1472063 0.5359707), wk = 0.0028090 k( 143) = ( 0.0817608 0.1324856 0.5359707), wk = 0.0028090 k( 144) = ( 0.0726762 0.1177650 0.5359707), wk = 0.0028090 k( 145) = ( 0.0635917 0.1030444 0.5359707), wk = 0.0028090 k( 146) = ( 0.0545072 0.0883238 0.5359707), wk = 0.0028090 k( 147) = ( 0.0454227 0.0736031 0.5359707), wk = 0.0028090 k( 148) = ( 0.0363381 0.0588825 0.5359707), wk = 0.0028090 k( 149) = ( 0.0272536 0.0441619 0.5359707), wk = 0.0028090 k( 150) = ( 0.0181691 0.0294413 0.5359707), wk = 0.0028090 k( 151) = ( 0.0090845 0.0147206 0.5359707), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.5359707), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.5359707), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.5186814), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.5013920), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.4841026), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.4668132), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.4495238), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.4322345), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.4149451), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.3976557), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.3803663), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.3630769), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.3457876), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.3284982), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.3112088), wk = 0.0028090 k( 167) = ( 0.0000000 0.0000000 0.2939194), wk = 0.0028090 k( 168) = ( 0.0000000 0.0000000 0.2766301), wk = 0.0028090 k( 169) = ( 0.0000000 0.0000000 0.2593407), wk = 0.0028090 k( 170) = ( 0.0000000 0.0000000 0.2420513), wk = 0.0028090 k( 171) = ( 0.0000000 0.0000000 0.2247619), wk = 0.0028090 k( 172) = ( 0.0000000 0.0000000 0.2074725), wk = 0.0028090 k( 173) = ( 0.0000000 0.0000000 0.1901832), wk = 0.0028090 k( 174) = ( 0.0000000 0.0000000 0.1728938), wk = 0.0028090 k( 175) = ( 0.0000000 0.0000000 0.1556044), wk = 0.0028090 k( 176) = ( 0.0000000 0.0000000 0.1383150), wk = 0.0028090 k( 177) = ( 0.0000000 0.0000000 0.1210257), wk = 0.0028090 k( 178) = ( 0.0000000 0.0000000 0.1037363), wk = 0.0028090 k( 179) = ( 0.0000000 0.0000000 0.0864469), wk = 0.0028090 k( 180) = ( 0.0000000 0.0000000 0.0691575), wk = 0.0028090 k( 181) = ( 0.0000000 0.0000000 0.0518681), wk = 0.0028090 k( 182) = ( 0.0000000 0.0000000 0.0345788), wk = 0.0028090 k( 183) = ( 0.0000000 0.0000000 0.0172894), wk = 0.0028090 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 186) = ( -0.0147059 0.0090754 0.0000000), wk = 0.0028090 k( 187) = ( -0.0294118 0.0181509 0.0000000), wk = 0.0028090 k( 188) = ( -0.0441177 0.0272263 0.0000000), wk = 0.0028090 k( 189) = ( -0.0588235 0.0363017 0.0000000), wk = 0.0028090 k( 190) = ( -0.0735294 0.0453772 0.0000000), wk = 0.0028090 k( 191) = ( -0.0882353 0.0544526 0.0000000), wk = 0.0028090 k( 192) = ( -0.1029412 0.0635280 0.0000000), wk = 0.0028090 k( 193) = ( -0.1176471 0.0726034 0.0000000), wk = 0.0028090 k( 194) = ( -0.1323529 0.0816789 0.0000000), wk = 0.0028090 k( 195) = ( -0.1470588 0.0907543 0.0000000), wk = 0.0028090 k( 196) = ( -0.1617647 0.0998297 0.0000000), wk = 0.0028090 k( 197) = ( -0.1764706 0.1089052 0.0000000), wk = 0.0028090 k( 198) = ( -0.1911765 0.1179806 0.0000000), wk = 0.0028090 k( 199) = ( -0.2058823 0.1270560 0.0000000), wk = 0.0028090 k( 200) = ( -0.2205882 0.1361315 0.0000000), wk = 0.0028090 k( 201) = ( -0.2352941 0.1452069 0.0000000), wk = 0.0028090 k( 202) = ( -0.2500000 0.1542823 0.0000000), wk = 0.0028090 k( 203) = ( -0.2647059 0.1633577 0.0000000), wk = 0.0028090 k( 204) = ( -0.2794118 0.1724332 0.0000000), wk = 0.0028090 k( 205) = ( -0.2941177 0.1815086 0.0000000), wk = 0.0028090 k( 206) = ( -0.3088235 0.1905840 0.0000000), wk = 0.0028090 k( 207) = ( -0.3235294 0.1996595 0.0000000), wk = 0.0028090 k( 208) = ( -0.3382353 0.2087349 0.0000000), wk = 0.0028090 k( 209) = ( -0.3529412 0.2178103 0.0000000), wk = 0.0028090 k( 210) = ( -0.3676471 0.2268858 0.0000000), wk = 0.0028090 k( 211) = ( -0.3823529 0.2359612 0.0000000), wk = 0.0028090 k( 212) = ( -0.3970588 0.2450366 0.0000000), wk = 0.0028090 k( 213) = ( -0.4117647 0.2541121 0.0000000), wk = 0.0028090 k( 214) = ( -0.4264706 0.2631875 0.0000000), wk = 0.0028090 k( 215) = ( -0.4411765 0.2722629 0.0000000), wk = 0.0028090 k( 216) = ( -0.4558823 0.2813383 0.0000000), wk = 0.0028090 k( 217) = ( -0.4705882 0.2904138 0.0000000), wk = 0.0028090 k( 218) = ( -0.4852941 0.2994892 0.0000000), wk = 0.0028090 k( 219) = ( -0.5000000 0.3085646 0.0000000), wk = 0.0028090 k( 220) = ( -0.5000000 0.3085646 0.0000000), wk = 0.0028090 k( 221) = ( -0.4914007 0.3224990 -0.0000000), wk = 0.0028090 k( 222) = ( -0.4828014 0.3364334 -0.0000000), wk = 0.0028090 k( 223) = ( -0.4742020 0.3503678 -0.0000000), wk = 0.0028090 k( 224) = ( -0.4656027 0.3643022 -0.0000000), wk = 0.0028090 k( 225) = ( -0.4570034 0.3782366 -0.0000000), wk = 0.0028090 k( 226) = ( -0.4484040 0.3921710 -0.0000000), wk = 0.0028090 k( 227) = ( -0.4398047 0.4061054 -0.0000000), wk = 0.0028090 k( 228) = ( -0.4312054 0.4200398 -0.0000000), wk = 0.0028090 k( 229) = ( -0.4226061 0.4339742 -0.0000000), wk = 0.0028090 k( 230) = ( -0.4140067 0.4479086 -0.0000000), wk = 0.0028090 k( 231) = ( -0.4054074 0.4618430 -0.0000000), wk = 0.0028090 k( 232) = ( -0.3968081 0.4757774 -0.0000000), wk = 0.0028090 k( 233) = ( -0.3882088 0.4897118 -0.0000000), wk = 0.0028090 k( 234) = ( -0.3796094 0.5036462 -0.0000000), wk = 0.0028090 k( 235) = ( -0.3710101 0.5175806 -0.0000000), wk = 0.0028090 k( 236) = ( -0.3624108 0.5315150 -0.0000000), wk = 0.0028090 k( 237) = ( -0.3538115 0.5454494 -0.0000000), wk = 0.0028090 k( 238) = ( -0.3452121 0.5593838 -0.0000000), wk = 0.0028090 k( 239) = ( -0.3452121 0.5593838 -0.0000000), wk = 0.0028090 k( 240) = ( -0.3452121 0.5593838 0.0172894), wk = 0.0028090 k( 241) = ( -0.3452121 0.5593838 0.0345788), wk = 0.0028090 k( 242) = ( -0.3452121 0.5593838 0.0518681), wk = 0.0028090 k( 243) = ( -0.3452121 0.5593838 0.0691575), wk = 0.0028090 k( 244) = ( -0.3452121 0.5593838 0.0864469), wk = 0.0028090 k( 245) = ( -0.3452121 0.5593838 0.1037363), wk = 0.0028090 k( 246) = ( -0.3452121 0.5593838 0.1210257), wk = 0.0028090 k( 247) = ( -0.3452121 0.5593838 0.1383150), wk = 0.0028090 k( 248) = ( -0.3452121 0.5593838 0.1556044), wk = 0.0028090 k( 249) = ( -0.3452121 0.5593838 0.1728938), wk = 0.0028090 k( 250) = ( -0.3452121 0.5593838 0.1901832), wk = 0.0028090 k( 251) = ( -0.3452121 0.5593838 0.2074725), wk = 0.0028090 k( 252) = ( -0.3452121 0.5593838 0.2247619), wk = 0.0028090 k( 253) = ( -0.3452121 0.5593838 0.2420513), wk = 0.0028090 k( 254) = ( -0.3452121 0.5593838 0.2593407), wk = 0.0028090 k( 255) = ( -0.3452121 0.5593838 0.2766301), wk = 0.0028090 k( 256) = ( -0.3452121 0.5593838 0.2939194), wk = 0.0028090 k( 257) = ( -0.3452121 0.5593838 0.3112088), wk = 0.0028090 k( 258) = ( -0.3452121 0.5593838 0.3284982), wk = 0.0028090 k( 259) = ( -0.3452121 0.5593838 0.3457876), wk = 0.0028090 k( 260) = ( -0.3452121 0.5593838 0.3630769), wk = 0.0028090 k( 261) = ( -0.3452121 0.5593838 0.3803663), wk = 0.0028090 k( 262) = ( -0.3452121 0.5593838 0.3976557), wk = 0.0028090 k( 263) = ( -0.3452121 0.5593838 0.4149451), wk = 0.0028090 k( 264) = ( -0.3452121 0.5593838 0.4322345), wk = 0.0028090 k( 265) = ( -0.3452121 0.5593838 0.4495238), wk = 0.0028090 k( 266) = ( -0.3452121 0.5593838 0.4668132), wk = 0.0028090 k( 267) = ( -0.3452121 0.5593838 0.4841026), wk = 0.0028090 k( 268) = ( -0.3452121 0.5593838 0.5013920), wk = 0.0028090 k( 269) = ( -0.3452121 0.5593838 0.5186814), wk = 0.0028090 k( 270) = ( -0.3452121 0.5593838 0.5359707), wk = 0.0028090 k( 271) = ( -0.3452121 0.5593838 0.5359707), wk = 0.0028090 k( 272) = ( -0.3538115 0.5454494 0.5359707), wk = 0.0028090 k( 273) = ( -0.3624108 0.5315150 0.5359707), wk = 0.0028090 k( 274) = ( -0.3710101 0.5175806 0.5359707), wk = 0.0028090 k( 275) = ( -0.3796094 0.5036462 0.5359707), wk = 0.0028090 k( 276) = ( -0.3882088 0.4897118 0.5359707), wk = 0.0028090 k( 277) = ( -0.3968081 0.4757774 0.5359707), wk = 0.0028090 k( 278) = ( -0.4054074 0.4618430 0.5359707), wk = 0.0028090 k( 279) = ( -0.4140067 0.4479086 0.5359707), wk = 0.0028090 k( 280) = ( -0.4226061 0.4339742 0.5359707), wk = 0.0028090 k( 281) = ( -0.4312054 0.4200398 0.5359707), wk = 0.0028090 k( 282) = ( -0.4398047 0.4061054 0.5359707), wk = 0.0028090 k( 283) = ( -0.4484040 0.3921710 0.5359707), wk = 0.0028090 k( 284) = ( -0.4570034 0.3782366 0.5359707), wk = 0.0028090 k( 285) = ( -0.4656027 0.3643022 0.5359707), wk = 0.0028090 k( 286) = ( -0.4742020 0.3503678 0.5359707), wk = 0.0028090 k( 287) = ( -0.4828014 0.3364334 0.5359707), wk = 0.0028090 k( 288) = ( -0.4914007 0.3224990 0.5359707), wk = 0.0028090 k( 289) = ( -0.5000000 0.3085646 0.5359707), wk = 0.0028090 k( 290) = ( -0.5000000 0.3085646 0.5359707), wk = 0.0028090 k( 291) = ( -0.5000000 0.3085646 0.5186814), wk = 0.0028090 k( 292) = ( -0.5000000 0.3085646 0.5013920), wk = 0.0028090 k( 293) = ( -0.5000000 0.3085646 0.4841026), wk = 0.0028090 k( 294) = ( -0.5000000 0.3085646 0.4668132), wk = 0.0028090 k( 295) = ( -0.5000000 0.3085646 0.4495238), wk = 0.0028090 k( 296) = ( -0.5000000 0.3085646 0.4322345), wk = 0.0028090 k( 297) = ( -0.5000000 0.3085646 0.4149451), wk = 0.0028090 k( 298) = ( -0.5000000 0.3085646 0.3976557), wk = 0.0028090 k( 299) = ( -0.5000000 0.3085646 0.3803663), wk = 0.0028090 k( 300) = ( -0.5000000 0.3085646 0.3630769), wk = 0.0028090 k( 301) = ( -0.5000000 0.3085646 0.3457876), wk = 0.0028090 k( 302) = ( -0.5000000 0.3085646 0.3284982), wk = 0.0028090 k( 303) = ( -0.5000000 0.3085646 0.3112088), wk = 0.0028090 k( 304) = ( -0.5000000 0.3085646 0.2939194), wk = 0.0028090 k( 305) = ( -0.5000000 0.3085646 0.2766301), wk = 0.0028090 k( 306) = ( -0.5000000 0.3085646 0.2593407), wk = 0.0028090 k( 307) = ( -0.5000000 0.3085646 0.2420513), wk = 0.0028090 k( 308) = ( -0.5000000 0.3085646 0.2247619), wk = 0.0028090 k( 309) = ( -0.5000000 0.3085646 0.2074725), wk = 0.0028090 k( 310) = ( -0.5000000 0.3085646 0.1901832), wk = 0.0028090 k( 311) = ( -0.5000000 0.3085646 0.1728938), wk = 0.0028090 k( 312) = ( -0.5000000 0.3085646 0.1556044), wk = 0.0028090 k( 313) = ( -0.5000000 0.3085646 0.1383150), wk = 0.0028090 k( 314) = ( -0.5000000 0.3085646 0.1210257), wk = 0.0028090 k( 315) = ( -0.5000000 0.3085646 0.1037363), wk = 0.0028090 k( 316) = ( -0.5000000 0.3085646 0.0864469), wk = 0.0028090 k( 317) = ( -0.5000000 0.3085646 0.0691575), wk = 0.0028090 k( 318) = ( -0.5000000 0.3085646 0.0518681), wk = 0.0028090 k( 319) = ( -0.5000000 0.3085646 0.0345788), wk = 0.0028090 k( 320) = ( -0.5000000 0.3085646 0.0172894), wk = 0.0028090 k( 321) = ( -0.5000000 0.3085646 0.0000000), wk = 0.0028090 k( 322) = ( 0.0000000 0.0000000 0.5359707), wk = 0.0028090 k( 323) = ( -0.0147059 0.0090754 0.5359707), wk = 0.0028090 k( 324) = ( -0.0294118 0.0181509 0.5359707), wk = 0.0028090 k( 325) = ( -0.0441177 0.0272263 0.5359707), wk = 0.0028090 k( 326) = ( -0.0588235 0.0363017 0.5359707), wk = 0.0028090 k( 327) = ( -0.0735294 0.0453772 0.5359707), wk = 0.0028090 k( 328) = ( -0.0882353 0.0544526 0.5359707), wk = 0.0028090 k( 329) = ( -0.1029412 0.0635280 0.5359707), wk = 0.0028090 k( 330) = ( -0.1176471 0.0726034 0.5359707), wk = 0.0028090 k( 331) = ( -0.1323529 0.0816789 0.5359707), wk = 0.0028090 k( 332) = ( -0.1470588 0.0907543 0.5359707), wk = 0.0028090 k( 333) = ( -0.1617647 0.0998297 0.5359707), wk = 0.0028090 k( 334) = ( -0.1764706 0.1089052 0.5359707), wk = 0.0028090 k( 335) = ( -0.1911765 0.1179806 0.5359707), wk = 0.0028090 k( 336) = ( -0.2058823 0.1270560 0.5359707), wk = 0.0028090 k( 337) = ( -0.2205882 0.1361315 0.5359707), wk = 0.0028090 k( 338) = ( -0.2352941 0.1452069 0.5359707), wk = 0.0028090 k( 339) = ( -0.2500000 0.1542823 0.5359707), wk = 0.0028090 k( 340) = ( -0.2647059 0.1633577 0.5359707), wk = 0.0028090 k( 341) = ( -0.2794118 0.1724332 0.5359707), wk = 0.0028090 k( 342) = ( -0.2941177 0.1815086 0.5359707), wk = 0.0028090 k( 343) = ( -0.3088235 0.1905840 0.5359707), wk = 0.0028090 k( 344) = ( -0.3235294 0.1996595 0.5359707), wk = 0.0028090 k( 345) = ( -0.3382353 0.2087349 0.5359707), wk = 0.0028090 k( 346) = ( -0.3529412 0.2178103 0.5359707), wk = 0.0028090 k( 347) = ( -0.3676471 0.2268858 0.5359707), wk = 0.0028090 k( 348) = ( -0.3823529 0.2359612 0.5359707), wk = 0.0028090 k( 349) = ( -0.3970588 0.2450366 0.5359707), wk = 0.0028090 k( 350) = ( -0.4117647 0.2541121 0.5359707), wk = 0.0028090 k( 351) = ( -0.4264706 0.2631875 0.5359707), wk = 0.0028090 k( 352) = ( -0.4411765 0.2722629 0.5359707), wk = 0.0028090 k( 353) = ( -0.4558823 0.2813383 0.5359707), wk = 0.0028090 k( 354) = ( -0.4705882 0.2904138 0.5359707), wk = 0.0028090 k( 355) = ( -0.4852941 0.2994892 0.5359707), wk = 0.0028090 k( 356) = ( -0.5000000 0.3085646 0.5359707), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0090845 0.0090845 0.0000000), wk = 0.0028090 k( 3) = ( 0.0181691 0.0181691 0.0000000), wk = 0.0028090 k( 4) = ( 0.0272536 0.0272536 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0363381 0.0363381 0.0000000), wk = 0.0028090 k( 6) = ( 0.0454227 0.0454227 0.0000000), wk = 0.0028090 k( 7) = ( 0.0545072 0.0545072 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0635917 0.0635917 0.0000000), wk = 0.0028090 k( 9) = ( 0.0726762 0.0726762 0.0000000), wk = 0.0028090 k( 10) = ( 0.0817608 0.0817608 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0908453 0.0908453 0.0000000), wk = 0.0028090 k( 12) = ( 0.0999298 0.0999298 0.0000000), wk = 0.0028090 k( 13) = ( 0.1090144 0.1090144 -0.0000000), wk = 0.0028090 k( 14) = ( 0.1180989 0.1180989 -0.0000000), wk = 0.0028090 k( 15) = ( 0.1271834 0.1271834 0.0000000), wk = 0.0028090 k( 16) = ( 0.1362679 0.1362680 0.0000000), wk = 0.0028090 k( 17) = ( 0.1453525 0.1453525 0.0000000), wk = 0.0028090 k( 18) = ( 0.1544370 0.1544370 0.0000000), wk = 0.0028090 k( 19) = ( 0.1635215 0.1635215 -0.0000000), wk = 0.0028090 k( 20) = ( 0.1726061 0.1726061 0.0000000), wk = 0.0028090 k( 21) = ( 0.1816906 0.1816906 0.0000000), wk = 0.0028090 k( 22) = ( 0.1907751 0.1907751 0.0000000), wk = 0.0028090 k( 23) = ( 0.1998597 0.1998597 0.0000000), wk = 0.0028090 k( 24) = ( 0.2089442 0.2089442 0.0000000), wk = 0.0028090 k( 25) = ( 0.2180287 0.2180287 -0.0000000), wk = 0.0028090 k( 26) = ( 0.2271132 0.2271133 0.0000000), wk = 0.0028090 k( 27) = ( 0.2361978 0.2361978 -0.0000000), wk = 0.0028090 k( 28) = ( 0.2452823 0.2452823 0.0000000), wk = 0.0028090 k( 29) = ( 0.2543668 0.2543668 0.0000000), wk = 0.0028090 k( 30) = ( 0.2634514 0.2634514 0.0000000), wk = 0.0028090 k( 31) = ( 0.2725359 0.2725359 0.0000000), wk = 0.0028090 k( 32) = ( 0.2816204 0.2816204 0.0000000), wk = 0.0028090 k( 33) = ( 0.2907050 0.2907050 0.0000000), wk = 0.0028090 k( 34) = ( 0.2997895 0.2997895 0.0000000), wk = 0.0028090 k( 35) = ( 0.3088740 0.3088740 0.0000000), wk = 0.0028090 k( 36) = ( 0.3179586 0.3179586 0.0000000), wk = 0.0028090 k( 37) = ( 0.3270431 0.3270431 -0.0000000), wk = 0.0028090 k( 38) = ( 0.3361276 0.3361276 -0.0000000), wk = 0.0028090 k( 39) = ( 0.3452121 0.3452121 0.0000000), wk = 0.0028090 k( 40) = ( 0.3452121 0.3452121 0.0000000), wk = 0.0028090 k( 41) = ( 0.3279515 0.3529515 -0.0000000), wk = 0.0028090 k( 42) = ( 0.3106909 0.3606909 0.0000000), wk = 0.0028090 k( 43) = ( 0.2934303 0.3684303 0.0000000), wk = 0.0028090 k( 44) = ( 0.2761697 0.3761697 0.0000000), wk = 0.0028090 k( 45) = ( 0.2589091 0.3839091 -0.0000000), wk = 0.0028090 k( 46) = ( 0.2416485 0.3916485 0.0000000), wk = 0.0028090 k( 47) = ( 0.2243879 0.3993879 0.0000000), wk = 0.0028090 k( 48) = ( 0.2071273 0.4071273 0.0000000), wk = 0.0028090 k( 49) = ( 0.1898667 0.4148667 0.0000000), wk = 0.0028090 k( 50) = ( 0.1726061 0.4226061 0.0000000), wk = 0.0028090 k( 51) = ( 0.1553455 0.4303455 -0.0000000), wk = 0.0028090 k( 52) = ( 0.1380849 0.4380849 0.0000000), wk = 0.0028090 k( 53) = ( 0.1208242 0.4458243 0.0000000), wk = 0.0028090 k( 54) = ( 0.1035636 0.4535636 0.0000000), wk = 0.0028090 k( 55) = ( 0.0863030 0.4613030 -0.0000000), wk = 0.0028090 k( 56) = ( 0.0690424 0.4690424 0.0000000), wk = 0.0028090 k( 57) = ( 0.0517818 0.4767818 0.0000000), wk = 0.0028090 k( 58) = ( 0.0345212 0.4845212 0.0000000), wk = 0.0028090 k( 59) = ( 0.0172606 0.4922606 0.0000000), wk = 0.0028090 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028090 k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028090 k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028090 k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028090 k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028090 k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028090 k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028090 k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028090 k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028090 k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028090 k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028090 k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028090 k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028090 k( 75) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0028090 k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028090 k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028090 k( 78) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0028090 k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028090 k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028090 k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028090 k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028090 k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028090 k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028090 k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028090 k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028090 k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028090 k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028090 k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028090 k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028090 k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028090 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 94) = ( 0.0172606 0.4922606 0.5000000), wk = 0.0028090 k( 95) = ( 0.0345212 0.4845212 0.5000000), wk = 0.0028090 k( 96) = ( 0.0517818 0.4767818 0.5000000), wk = 0.0028090 k( 97) = ( 0.0690424 0.4690424 0.5000000), wk = 0.0028090 k( 98) = ( 0.0863030 0.4613030 0.5000000), wk = 0.0028090 k( 99) = ( 0.1035636 0.4535636 0.5000000), wk = 0.0028090 k( 100) = ( 0.1208242 0.4458243 0.5000000), wk = 0.0028090 k( 101) = ( 0.1380849 0.4380849 0.5000000), wk = 0.0028090 k( 102) = ( 0.1553455 0.4303455 0.5000000), wk = 0.0028090 k( 103) = ( 0.1726061 0.4226061 0.5000000), wk = 0.0028090 k( 104) = ( 0.1898667 0.4148667 0.5000000), wk = 0.0028090 k( 105) = ( 0.2071273 0.4071273 0.5000000), wk = 0.0028090 k( 106) = ( 0.2243879 0.3993879 0.5000000), wk = 0.0028090 k( 107) = ( 0.2416485 0.3916485 0.5000000), wk = 0.0028090 k( 108) = ( 0.2589091 0.3839091 0.5000000), wk = 0.0028090 k( 109) = ( 0.2761697 0.3761697 0.5000000), wk = 0.0028090 k( 110) = ( 0.2934303 0.3684303 0.5000000), wk = 0.0028090 k( 111) = ( 0.3106909 0.3606909 0.5000000), wk = 0.0028090 k( 112) = ( 0.3279515 0.3529515 0.5000000), wk = 0.0028090 k( 113) = ( 0.3452121 0.3452121 0.5000000), wk = 0.0028090 k( 114) = ( 0.3452121 0.3452121 0.5000000), wk = 0.0028090 k( 115) = ( 0.3361276 0.3361276 0.5000000), wk = 0.0028090 k( 116) = ( 0.3270431 0.3270431 0.5000000), wk = 0.0028090 k( 117) = ( 0.3179586 0.3179586 0.5000000), wk = 0.0028090 k( 118) = ( 0.3088740 0.3088740 0.5000000), wk = 0.0028090 k( 119) = ( 0.2997895 0.2997895 0.5000000), wk = 0.0028090 k( 120) = ( 0.2907050 0.2907050 0.5000000), wk = 0.0028090 k( 121) = ( 0.2816204 0.2816204 0.5000000), wk = 0.0028090 k( 122) = ( 0.2725359 0.2725359 0.5000000), wk = 0.0028090 k( 123) = ( 0.2634514 0.2634514 0.5000000), wk = 0.0028090 k( 124) = ( 0.2543668 0.2543668 0.5000000), wk = 0.0028090 k( 125) = ( 0.2452823 0.2452823 0.5000000), wk = 0.0028090 k( 126) = ( 0.2361978 0.2361978 0.5000000), wk = 0.0028090 k( 127) = ( 0.2271132 0.2271133 0.5000000), wk = 0.0028090 k( 128) = ( 0.2180287 0.2180287 0.5000000), wk = 0.0028090 k( 129) = ( 0.2089442 0.2089442 0.5000000), wk = 0.0028090 k( 130) = ( 0.1998597 0.1998597 0.5000000), wk = 0.0028090 k( 131) = ( 0.1907751 0.1907751 0.5000000), wk = 0.0028090 k( 132) = ( 0.1816906 0.1816906 0.5000000), wk = 0.0028090 k( 133) = ( 0.1726061 0.1726061 0.5000000), wk = 0.0028090 k( 134) = ( 0.1635215 0.1635215 0.5000000), wk = 0.0028090 k( 135) = ( 0.1544370 0.1544370 0.5000000), wk = 0.0028090 k( 136) = ( 0.1453525 0.1453525 0.5000000), wk = 0.0028090 k( 137) = ( 0.1362679 0.1362680 0.5000000), wk = 0.0028090 k( 138) = ( 0.1271834 0.1271834 0.5000000), wk = 0.0028090 k( 139) = ( 0.1180989 0.1180989 0.5000000), wk = 0.0028090 k( 140) = ( 0.1090144 0.1090144 0.5000000), wk = 0.0028090 k( 141) = ( 0.0999298 0.0999298 0.5000000), wk = 0.0028090 k( 142) = ( 0.0908453 0.0908453 0.5000000), wk = 0.0028090 k( 143) = ( 0.0817608 0.0817608 0.5000000), wk = 0.0028090 k( 144) = ( 0.0726762 0.0726762 0.5000000), wk = 0.0028090 k( 145) = ( 0.0635917 0.0635917 0.5000000), wk = 0.0028090 k( 146) = ( 0.0545072 0.0545072 0.5000000), wk = 0.0028090 k( 147) = ( 0.0454227 0.0454227 0.5000000), wk = 0.0028090 k( 148) = ( 0.0363381 0.0363381 0.5000000), wk = 0.0028090 k( 149) = ( 0.0272536 0.0272536 0.5000000), wk = 0.0028090 k( 150) = ( 0.0181691 0.0181691 0.5000000), wk = 0.0028090 k( 151) = ( 0.0090845 0.0090845 0.5000000), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028090 k( 167) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0028090 k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028090 k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028090 k( 170) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028090 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028090 k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028090 k( 173) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0028090 k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028090 k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028090 k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028090 k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028090 k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028090 k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028090 k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028090 k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028090 k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028090 k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028090 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 186) = ( -0.0147059 0.0147059 0.0000000), wk = 0.0028090 k( 187) = ( -0.0294118 0.0294118 0.0000000), wk = 0.0028090 k( 188) = ( -0.0441177 0.0441177 -0.0000000), wk = 0.0028090 k( 189) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0028090 k( 190) = ( -0.0735294 0.0735294 0.0000000), wk = 0.0028090 k( 191) = ( -0.0882353 0.0882353 0.0000000), wk = 0.0028090 k( 192) = ( -0.1029412 0.1029412 -0.0000000), wk = 0.0028090 k( 193) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0028090 k( 194) = ( -0.1323529 0.1323529 -0.0000000), wk = 0.0028090 k( 195) = ( -0.1470588 0.1470588 0.0000000), wk = 0.0028090 k( 196) = ( -0.1617647 0.1617647 0.0000000), wk = 0.0028090 k( 197) = ( -0.1764706 0.1764706 -0.0000000), wk = 0.0028090 k( 198) = ( -0.1911765 0.1911765 -0.0000000), wk = 0.0028090 k( 199) = ( -0.2058823 0.2058823 -0.0000000), wk = 0.0028090 k( 200) = ( -0.2205882 0.2205882 0.0000000), wk = 0.0028090 k( 201) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0028090 k( 202) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0028090 k( 203) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0028090 k( 204) = ( -0.2794118 0.2794118 0.0000000), wk = 0.0028090 k( 205) = ( -0.2941177 0.2941177 0.0000000), wk = 0.0028090 k( 206) = ( -0.3088235 0.3088235 -0.0000000), wk = 0.0028090 k( 207) = ( -0.3235294 0.3235294 0.0000000), wk = 0.0028090 k( 208) = ( -0.3382353 0.3382353 0.0000000), wk = 0.0028090 k( 209) = ( -0.3529412 0.3529412 -0.0000000), wk = 0.0028090 k( 210) = ( -0.3676471 0.3676471 -0.0000000), wk = 0.0028090 k( 211) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0028090 k( 212) = ( -0.3970588 0.3970588 -0.0000000), wk = 0.0028090 k( 213) = ( -0.4117647 0.4117647 0.0000000), wk = 0.0028090 k( 214) = ( -0.4264706 0.4264706 0.0000000), wk = 0.0028090 k( 215) = ( -0.4411765 0.4411765 0.0000000), wk = 0.0028090 k( 216) = ( -0.4558823 0.4558823 0.0000000), wk = 0.0028090 k( 217) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0028090 k( 218) = ( -0.4852941 0.4852941 0.0000000), wk = 0.0028090 k( 219) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 221) = ( -0.4914007 0.5085993 0.0000000), wk = 0.0028090 k( 222) = ( -0.4828014 0.5171987 0.0000000), wk = 0.0028090 k( 223) = ( -0.4742020 0.5257980 0.0000000), wk = 0.0028090 k( 224) = ( -0.4656027 0.5343973 -0.0000000), wk = 0.0028090 k( 225) = ( -0.4570034 0.5429966 0.0000000), wk = 0.0028090 k( 226) = ( -0.4484040 0.5515960 0.0000000), wk = 0.0028090 k( 227) = ( -0.4398047 0.5601953 0.0000000), wk = 0.0028090 k( 228) = ( -0.4312054 0.5687946 0.0000000), wk = 0.0028090 k( 229) = ( -0.4226061 0.5773939 0.0000000), wk = 0.0028090 k( 230) = ( -0.4140067 0.5859933 0.0000000), wk = 0.0028090 k( 231) = ( -0.4054074 0.5945926 0.0000000), wk = 0.0028090 k( 232) = ( -0.3968081 0.6031919 0.0000000), wk = 0.0028090 k( 233) = ( -0.3882088 0.6117912 0.0000000), wk = 0.0028090 k( 234) = ( -0.3796094 0.6203906 0.0000000), wk = 0.0028090 k( 235) = ( -0.3710101 0.6289899 0.0000000), wk = 0.0028090 k( 236) = ( -0.3624108 0.6375892 0.0000000), wk = 0.0028090 k( 237) = ( -0.3538115 0.6461885 0.0000000), wk = 0.0028090 k( 238) = ( -0.3452121 0.6547879 0.0000000), wk = 0.0028090 k( 239) = ( -0.3452121 0.6547879 0.0000000), wk = 0.0028090 k( 240) = ( -0.3452121 0.6547879 0.0161290), wk = 0.0028090 k( 241) = ( -0.3452121 0.6547879 0.0322581), wk = 0.0028090 k( 242) = ( -0.3452121 0.6547879 0.0483871), wk = 0.0028090 k( 243) = ( -0.3452121 0.6547879 0.0645161), wk = 0.0028090 k( 244) = ( -0.3452121 0.6547879 0.0806452), wk = 0.0028090 k( 245) = ( -0.3452121 0.6547879 0.0967742), wk = 0.0028090 k( 246) = ( -0.3452121 0.6547879 0.1129032), wk = 0.0028090 k( 247) = ( -0.3452121 0.6547879 0.1290323), wk = 0.0028090 k( 248) = ( -0.3452121 0.6547879 0.1451613), wk = 0.0028090 k( 249) = ( -0.3452121 0.6547879 0.1612903), wk = 0.0028090 k( 250) = ( -0.3452121 0.6547879 0.1774194), wk = 0.0028090 k( 251) = ( -0.3452121 0.6547879 0.1935484), wk = 0.0028090 k( 252) = ( -0.3452121 0.6547879 0.2096774), wk = 0.0028090 k( 253) = ( -0.3452121 0.6547879 0.2258064), wk = 0.0028090 k( 254) = ( -0.3452121 0.6547879 0.2419355), wk = 0.0028090 k( 255) = ( -0.3452121 0.6547879 0.2580645), wk = 0.0028090 k( 256) = ( -0.3452121 0.6547879 0.2741936), wk = 0.0028090 k( 257) = ( -0.3452121 0.6547879 0.2903226), wk = 0.0028090 k( 258) = ( -0.3452121 0.6547879 0.3064516), wk = 0.0028090 k( 259) = ( -0.3452121 0.6547879 0.3225807), wk = 0.0028090 k( 260) = ( -0.3452121 0.6547879 0.3387097), wk = 0.0028090 k( 261) = ( -0.3452121 0.6547879 0.3548387), wk = 0.0028090 k( 262) = ( -0.3452121 0.6547879 0.3709677), wk = 0.0028090 k( 263) = ( -0.3452121 0.6547879 0.3870968), wk = 0.0028090 k( 264) = ( -0.3452121 0.6547879 0.4032258), wk = 0.0028090 k( 265) = ( -0.3452121 0.6547879 0.4193548), wk = 0.0028090 k( 266) = ( -0.3452121 0.6547879 0.4354839), wk = 0.0028090 k( 267) = ( -0.3452121 0.6547879 0.4516129), wk = 0.0028090 k( 268) = ( -0.3452121 0.6547879 0.4677419), wk = 0.0028090 k( 269) = ( -0.3452121 0.6547879 0.4838710), wk = 0.0028090 k( 270) = ( -0.3452121 0.6547879 0.5000000), wk = 0.0028090 k( 271) = ( -0.3452121 0.6547879 0.5000000), wk = 0.0028090 k( 272) = ( -0.3538115 0.6461885 0.5000000), wk = 0.0028090 k( 273) = ( -0.3624108 0.6375892 0.5000000), wk = 0.0028090 k( 274) = ( -0.3710101 0.6289899 0.5000000), wk = 0.0028090 k( 275) = ( -0.3796094 0.6203906 0.5000000), wk = 0.0028090 k( 276) = ( -0.3882088 0.6117912 0.5000000), wk = 0.0028090 k( 277) = ( -0.3968081 0.6031919 0.5000000), wk = 0.0028090 k( 278) = ( -0.4054074 0.5945926 0.5000000), wk = 0.0028090 k( 279) = ( -0.4140067 0.5859933 0.5000000), wk = 0.0028090 k( 280) = ( -0.4226061 0.5773939 0.5000000), wk = 0.0028090 k( 281) = ( -0.4312054 0.5687946 0.5000000), wk = 0.0028090 k( 282) = ( -0.4398047 0.5601953 0.5000000), wk = 0.0028090 k( 283) = ( -0.4484040 0.5515960 0.5000000), wk = 0.0028090 k( 284) = ( -0.4570034 0.5429966 0.5000000), wk = 0.0028090 k( 285) = ( -0.4656027 0.5343973 0.5000000), wk = 0.0028090 k( 286) = ( -0.4742020 0.5257980 0.5000000), wk = 0.0028090 k( 287) = ( -0.4828014 0.5171987 0.5000000), wk = 0.0028090 k( 288) = ( -0.4914007 0.5085993 0.5000000), wk = 0.0028090 k( 289) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 290) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 291) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028090 k( 292) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028090 k( 293) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028090 k( 294) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028090 k( 295) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028090 k( 296) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028090 k( 297) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028090 k( 298) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028090 k( 299) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028090 k( 300) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028090 k( 301) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0028090 k( 302) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028090 k( 303) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028090 k( 304) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0028090 k( 305) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028090 k( 306) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028090 k( 307) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0028090 k( 308) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028090 k( 309) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028090 k( 310) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0028090 k( 311) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028090 k( 312) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028090 k( 313) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028090 k( 314) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028090 k( 315) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028090 k( 316) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028090 k( 317) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028090 k( 318) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028090 k( 319) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028090 k( 320) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028090 k( 321) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 322) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 323) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028090 k( 324) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028090 k( 325) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0028090 k( 326) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028090 k( 327) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028090 k( 328) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028090 k( 329) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028090 k( 330) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028090 k( 331) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028090 k( 332) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028090 k( 333) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028090 k( 334) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028090 k( 335) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028090 k( 336) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028090 k( 337) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028090 k( 338) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028090 k( 339) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 340) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028090 k( 341) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028090 k( 342) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0028090 k( 343) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028090 k( 344) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028090 k( 345) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028090 k( 346) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028090 k( 347) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028090 k( 348) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028090 k( 349) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028090 k( 350) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028090 k( 351) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028090 k( 352) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028090 k( 353) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0028090 k( 354) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028090 k( 355) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028090 k( 356) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 Dense grid: 89279 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39505 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 220, 58) NL pseudopotentials 0.23 Mb ( 110, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1863) G-vector shells 0.01 Mb ( 952) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 220, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.3 secs Computing kpt #: 2 total cpu time spent up to now is 43.2 secs Computing kpt #: 3 total cpu time spent up to now is 46.5 secs Computing kpt #: 4 total cpu time spent up to now is 49.1 secs Computing kpt #: 5 total cpu time spent up to now is 51.8 secs Computing kpt #: 6 total cpu time spent up to now is 54.6 secs Computing kpt #: 7 total cpu time spent up to now is 57.4 secs Computing kpt #: 8 total cpu time spent up to now is 60.2 secs Computing kpt #: 9 total cpu time spent up to now is 62.9 secs Computing kpt #: 10 total cpu time spent up to now is 65.7 secs Computing kpt #: 11 total cpu time spent up to now is 68.5 secs Computing kpt #: 12 total cpu time spent up to now is 71.2 secs Computing kpt #: 13 total cpu time spent up to now is 73.9 secs Computing kpt #: 14 total cpu time spent up to now is 76.5 secs Computing kpt #: 15 total cpu time spent up to now is 79.0 secs Computing kpt #: 16 total cpu time spent up to now is 81.5 secs Computing kpt #: 17 total cpu time spent up to now is 83.7 secs Computing kpt #: 18 total cpu time spent up to now is 86.0 secs Computing kpt #: 19 total cpu time spent up to now is 88.2 secs Computing kpt #: 20 total cpu time spent up to now is 91.2 secs Computing kpt #: 21 total cpu time spent up to now is 94.2 secs Computing kpt #: 22 total cpu time spent up to now is 97.0 secs Computing kpt #: 23 total cpu time spent up to now is 99.6 secs Computing kpt #: 24 total cpu time spent up to now is 101.9 secs Computing kpt #: 25 total cpu time spent up to now is 104.1 secs Computing kpt #: 26 total cpu time spent up to now is 106.4 secs Computing kpt #: 27 total cpu time spent up to now is 108.8 secs Computing kpt #: 28 total cpu time spent up to now is 111.1 secs Computing kpt #: 29 total cpu time spent up to now is 113.2 secs Computing kpt #: 30 total cpu time spent up to now is 115.5 secs Computing kpt 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spent up to now is 152.5 secs Computing kpt #: 47 total cpu time spent up to now is 154.7 secs Computing kpt #: 48 total cpu time spent up to now is 156.8 secs Computing kpt #: 49 total cpu time spent up to now is 159.0 secs Computing kpt #: 50 total cpu time spent up to now is 161.2 secs Computing kpt #: 51 total cpu time spent up to now is 163.4 secs Computing kpt #: 52 total cpu time spent up to now is 165.8 secs Computing kpt #: 53 total cpu time spent up to now is 168.0 secs Computing kpt #: 54 total cpu time spent up to now is 170.4 secs Computing kpt #: 55 total cpu time spent up to now is 172.9 secs Computing kpt #: 56 total cpu time spent up to now is 175.2 secs Computing kpt #: 57 total cpu time spent up to now is 177.7 secs Computing kpt #: 58 total cpu time spent up to now is 180.4 secs Computing kpt #: 59 total cpu time spent up to now is 183.1 secs Computing kpt #: 60 total cpu time spent up to now is 186.0 secs Computing kpt #: 61 total cpu time spent up to now is 188.6 secs Computing kpt #: 62 total cpu time spent up to now is 191.5 secs Computing kpt #: 63 total cpu time spent up to now is 194.1 secs Computing kpt #: 64 total cpu time spent up to now is 197.0 secs Computing kpt #: 65 total cpu time spent up to now is 199.4 secs Computing kpt #: 66 total cpu time spent up to now is 202.3 secs Computing kpt #: 67 total cpu time spent up to now is 204.9 secs Computing kpt #: 68 total cpu time spent up to now is 207.5 secs Computing kpt #: 69 total cpu time spent up to now is 209.7 secs Computing kpt #: 70 total cpu time spent up to now is 212.0 secs Computing kpt #: 71 total cpu time spent up to now is 214.6 secs Computing kpt #: 72 total cpu time spent up to now is 217.1 secs Computing kpt #: 73 total cpu time spent up to now is 219.5 secs Computing kpt #: 74 total cpu time spent up to now is 222.0 secs Computing kpt #: 75 total cpu time spent up to now is 225.0 secs Computing kpt #: 76 total cpu time spent up to now is 227.8 secs Computing kpt #: 77 total cpu time spent up to now is 231.3 secs Computing kpt #: 78 total cpu time spent up to now is 235.1 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.2 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.4 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.3 secs Computing kpt #: 82 total cpu time spent up to now is 253.9 secs Computing kpt #: 83 total cpu time spent up to now is 258.4 secs Computing kpt #: 84 total cpu time spent up to now is 262.1 secs Computing kpt #: 85 total cpu time spent up to now is 264.7 secs Computing kpt #: 86 total cpu time spent up to now is 267.8 secs Computing kpt #: 87 total cpu time spent up to now is 270.3 secs Computing kpt #: 88 total cpu time spent up to now is 273.0 secs Computing kpt #: 89 total cpu time spent up to now is 277.0 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.9 secs Computing kpt #: 91 total cpu time spent up to now is 286.1 secs Computing kpt #: 92 total cpu time spent up to now is 289.8 secs Computing kpt #: 93 total cpu time spent up to now is 292.5 secs Computing kpt #: 94 total cpu time spent up to now is 295.5 secs Computing kpt #: 95 total cpu time spent up to now is 298.4 secs Computing kpt #: 96 total cpu time spent up to now is 301.1 secs Computing kpt #: 97 total cpu time spent up to now is 304.1 secs Computing kpt #: 98 total cpu time spent up to now is 306.8 secs Computing kpt #: 99 total cpu time spent up to now is 310.2 secs Computing kpt #: 100 total cpu time spent up to now is 314.9 secs Computing kpt #: 101 total cpu time spent up to now is 317.8 secs Computing kpt #: 102 total cpu time spent up to now is 320.6 secs Computing kpt #: 103 total cpu time spent up to now is 323.3 secs Computing kpt #: 104 total cpu time spent up to now is 326.4 secs Computing kpt #: 105 total cpu time spent up to now is 329.3 secs Computing kpt #: 106 total cpu time spent up to now is 331.9 secs Computing kpt #: 107 total cpu time spent up to now is 335.0 secs Computing kpt #: 108 total cpu time spent up to now is 337.8 secs Computing kpt #: 109 total cpu time spent up to now is 340.8 secs Computing kpt #: 110 total cpu time spent up to now is 344.0 secs Computing kpt #: 111 total cpu time spent up to now is 346.8 secs Computing kpt #: 112 total cpu time spent up to now is 350.1 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.8 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 359.9 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.5 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 369.0 secs Computing kpt #: 117 total cpu time spent up to now is 372.4 secs Computing kpt #: 118 total cpu time spent up to now is 375.8 secs Computing kpt #: 119 total cpu time spent up to now is 378.7 secs Computing kpt #: 120 total cpu time spent up to now is 382.2 secs Computing kpt #: 121 total cpu time spent up to now is 384.9 secs Computing kpt #: 122 total cpu time spent up to now is 389.2 secs Computing kpt #: 123 total cpu time spent up to now is 392.0 secs Computing kpt #: 124 total cpu time spent up to now is 395.7 secs Computing kpt #: 125 total cpu time spent up to now is 399.1 secs Computing kpt #: 126 total cpu time spent up to now is 402.8 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 407.3 secs Computing kpt #: 128 total cpu time spent up to now is 411.2 secs Computing kpt #: 129 total cpu time spent up to now is 414.5 secs Computing kpt #: 130 total cpu time spent up to now is 417.8 secs Computing kpt #: 131 total cpu time spent up to now is 421.2 secs Computing kpt #: 132 total cpu time spent up to now is 424.5 secs Computing kpt #: 133 total cpu time spent up to now is 429.5 secs Computing kpt #: 134 total cpu time spent up to now is 433.6 secs Computing kpt #: 135 total cpu time spent up to now is 437.7 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.2 secs Computing kpt #: 137 total cpu time spent up to now is 446.8 secs Computing kpt #: 138 total cpu time spent up to now is 451.3 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 461.2 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.1 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.6 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 480.1 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 484.8 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 489.5 secs Computing kpt #: 147 total cpu time spent up to now is 494.1 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 498.7 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 503.2 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.2 secs Computing kpt #: 152 total cpu time spent up to now is 515.4 secs Computing kpt #: 153 total cpu time spent up to now is 517.5 secs Computing kpt #: 154 total cpu time spent up to now is 519.9 secs Computing kpt #: 155 total cpu time spent up to now is 522.1 secs Computing kpt #: 156 total cpu time spent up to now is 524.3 secs Computing kpt #: 157 total cpu time spent up to now is 526.6 secs Computing kpt #: 158 total cpu time spent up to now is 528.6 secs Computing kpt #: 159 total cpu time spent up to now is 530.7 secs Computing kpt #: 160 total cpu time spent up to now is 532.7 secs Computing kpt #: 161 total cpu time spent up to now is 534.7 secs Computing kpt #: 162 total cpu time spent up to now is 536.8 secs Computing kpt #: 163 total cpu time spent up to now is 538.9 secs Computing kpt #: 164 total cpu time spent up to now is 540.7 secs Computing kpt #: 165 total cpu time spent up to now is 542.7 secs Computing kpt #: 166 total cpu time spent up to now is 544.7 secs Computing kpt #: 167 total cpu time spent up to now is 546.6 secs Computing kpt #: 168 total cpu time spent up to now is 548.8 secs Computing kpt #: 169 total cpu time spent up to now is 551.2 secs Computing kpt #: 170 total cpu time spent up to now is 553.2 secs Computing kpt #: 171 total cpu time spent up to now is 555.5 secs Computing kpt #: 172 total cpu time spent up to now is 557.7 secs Computing kpt #: 173 total cpu time spent up to now is 559.8 secs Computing kpt #: 174 total cpu time spent up to now is 561.9 secs Computing kpt #: 175 total cpu time spent up to now is 564.0 secs Computing kpt #: 176 total cpu time spent up to now is 566.0 secs Computing kpt #: 177 total cpu time spent up to now is 568.1 secs Computing kpt #: 178 total cpu time spent up to now is 570.7 secs Computing kpt #: 179 total cpu time spent up to now is 573.1 secs Computing kpt #: 180 total cpu time spent up to now is 575.3 secs Computing kpt #: 181 total cpu time spent up to now is 577.8 secs Computing kpt #: 182 total cpu time spent up to now is 580.6 secs Computing kpt #: 183 total cpu time spent up to now is 583.3 secs Computing kpt #: 184 total cpu time spent up to now is 586.5 secs Computing kpt #: 185 total cpu time spent up to now is 589.2 secs Computing kpt #: 186 total cpu time spent up to now is 592.0 secs Computing kpt #: 187 total cpu time spent up to now is 595.3 secs Computing kpt #: 188 total cpu time spent up to now is 598.0 secs Computing kpt #: 189 total cpu time spent up to now is 602.0 secs Computing kpt #: 190 total cpu time spent up to now is 604.6 secs Computing kpt #: 191 total cpu time spent up to now is 607.3 secs Computing kpt #: 192 total cpu time spent up to now is 610.3 secs Computing kpt #: 193 total cpu time spent up to now is 614.1 secs Computing kpt #: 194 total cpu time spent up to now is 617.0 secs Computing kpt #: 195 total cpu time spent up to now is 620.0 secs Computing kpt #: 196 total cpu time spent up to now is 622.4 secs Computing kpt #: 197 total cpu time spent up to now is 624.9 secs Computing kpt #: 198 total cpu time spent up to now is 627.2 secs Computing kpt #: 199 total cpu time spent up to now is 629.4 secs Computing kpt #: 200 total cpu time spent up to now is 632.3 secs Computing kpt #: 201 total cpu time spent up to now is 635.0 secs Computing kpt #: 202 total cpu time spent up to now is 637.3 secs Computing kpt #: 203 total cpu time spent up to now is 639.4 secs Computing kpt #: 204 total cpu time spent up to now is 641.6 secs Computing kpt #: 205 total cpu time spent up to now is 644.0 secs Computing kpt #: 206 total cpu time spent up to now is 646.5 secs Computing kpt #: 207 total cpu time spent up to now is 648.6 secs Computing kpt #: 208 total cpu time spent up to now is 650.7 secs Computing kpt #: 209 total cpu time spent up to now is 652.9 secs Computing kpt #: 210 total cpu time spent up to now is 655.3 secs Computing kpt #: 211 total cpu time spent up to now is 657.5 secs Computing kpt #: 212 total cpu time spent up to now is 659.8 secs Computing kpt #: 213 total cpu time spent up to now is 662.1 secs Computing kpt #: 214 total cpu time spent up to now is 664.4 secs Computing kpt #: 215 total cpu time spent up to now is 666.9 secs Computing kpt #: 216 total cpu time spent up to now is 669.6 secs Computing kpt #: 217 total cpu time spent up to now is 672.2 secs Computing kpt #: 218 total cpu time spent up to now is 675.2 secs Computing kpt #: 219 total cpu time spent up to now is 678.8 secs Computing kpt #: 220 total cpu time spent up to now is 682.5 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 687.4 secs Computing kpt #: 222 total cpu time spent up to now is 691.5 secs Computing kpt #: 223 total cpu time spent up to now is 695.5 secs Computing kpt #: 224 total cpu time spent up to now is 699.2 secs Computing kpt #: 225 total cpu time spent up to now is 702.4 secs Computing kpt #: 226 total cpu time spent up to now is 705.4 secs Computing kpt #: 227 total cpu time spent up to now is 708.2 secs Computing kpt #: 228 total cpu time spent up to now is 711.0 secs Computing kpt #: 229 total cpu time spent up to now is 713.8 secs Computing kpt #: 230 total cpu time spent up to now is 716.3 secs Computing kpt #: 231 total cpu time spent up to now is 718.8 secs Computing kpt #: 232 total cpu time spent up to now is 721.1 secs Computing kpt #: 233 total cpu time spent up to now is 723.3 secs Computing kpt #: 234 total cpu time spent up to now is 725.6 secs Computing kpt #: 235 total cpu time spent up to now is 728.0 secs Computing kpt #: 236 total cpu time spent up to now is 730.1 secs Computing kpt #: 237 total cpu time spent up to now is 732.3 secs Computing kpt #: 238 total cpu time spent up to now is 734.6 secs Computing kpt #: 239 total cpu time spent up to now is 736.6 secs Computing kpt #: 240 total cpu time spent up to now is 738.7 secs Computing kpt #: 241 total cpu time spent up to now is 740.8 secs Computing kpt #: 242 total cpu time spent up to now is 742.9 secs Computing kpt #: 243 total cpu time spent up to now is 745.0 secs Computing kpt #: 244 total cpu time spent up to now is 747.4 secs Computing kpt #: 245 total cpu time spent up to now is 749.5 secs Computing kpt #: 246 total cpu time spent up to now is 751.6 secs Computing kpt #: 247 total cpu time spent up to now is 753.7 secs Computing kpt #: 248 total cpu time spent up to now is 756.0 secs Computing kpt #: 249 total cpu time spent up to now is 758.3 secs Computing kpt #: 250 total cpu time spent up to now is 760.8 secs Computing kpt #: 251 total cpu time spent up to now is 763.2 secs Computing kpt #: 252 total cpu time spent up to now is 766.2 secs Computing kpt #: 253 total cpu time spent up to now is 768.7 secs Computing kpt #: 254 total cpu time spent up to now is 771.2 secs Computing kpt #: 255 total cpu time spent up to now is 773.5 secs Computing kpt #: 256 total cpu time spent up to now is 775.9 secs Computing kpt #: 257 total cpu time spent up to now is 778.3 secs Computing kpt #: 258 total cpu time spent up to now is 780.6 secs Computing kpt #: 259 total cpu time spent up to now is 783.0 secs Computing kpt #: 260 total cpu time spent up to now is 785.4 secs Computing kpt #: 261 total cpu time spent up to now is 787.9 secs Computing kpt #: 262 total cpu time spent up to now is 790.3 secs Computing kpt #: 263 total cpu time spent up to now is 792.9 secs Computing kpt #: 264 total cpu time spent up to now is 795.7 secs Computing kpt #: 265 total cpu time spent up to now is 798.2 secs Computing kpt #: 266 total cpu time spent up to now is 801.0 secs Computing kpt #: 267 total cpu time spent up to now is 803.5 secs Computing kpt #: 268 total cpu time spent up to now is 806.2 secs Computing kpt #: 269 total cpu time spent up to now is 809.1 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 813.8 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 818.6 secs Computing kpt #: 272 total cpu time spent up to now is 820.6 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 825.5 secs Computing kpt #: 274 total cpu time spent up to now is 828.7 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 833.3 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 837.9 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 842.6 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 847.4 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 852.2 secs Computing kpt #: 280 total cpu time spent up to now is 857.4 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 862.0 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 866.8 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 871.5 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 876.3 secs Computing kpt #: 285 total cpu time spent up to now is 879.1 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 884.0 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 888.7 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 893.7 secs Computing kpt #: 289 total cpu time spent up to now is 895.8 secs Computing kpt #: 290 total cpu time spent up to now is 897.7 secs Computing kpt #: 291 total cpu time spent up to now is 900.5 secs Computing kpt #: 292 total cpu time spent up to now is 903.1 secs Computing kpt #: 293 total cpu time spent up to now is 906.3 secs Computing kpt #: 294 total cpu time spent up to now is 908.9 secs Computing kpt #: 295 total cpu time spent up to now is 912.3 secs Computing kpt #: 296 total cpu time spent up to now is 915.4 secs Computing kpt #: 297 total cpu time spent up to now is 917.7 secs Computing kpt #: 298 total cpu time spent up to now is 919.8 secs Computing kpt #: 299 total cpu time spent up to now is 921.9 secs Computing kpt #: 300 total cpu time spent up to now is 924.1 secs Computing kpt #: 301 total cpu time spent up to now is 926.2 secs Computing kpt #: 302 total cpu time spent up to now is 928.5 secs Computing kpt #: 303 total cpu time spent up to now is 931.8 secs Computing kpt #: 304 total cpu time spent up to now is 933.8 secs Computing kpt #: 305 total cpu time spent up to now is 936.0 secs Computing kpt #: 306 total cpu time spent up to now is 938.3 secs Computing kpt #: 307 total cpu time spent up to now is 940.5 secs Computing kpt #: 308 total cpu time spent up to now is 942.7 secs Computing kpt #: 309 total cpu time spent up to now is 945.0 secs Computing kpt #: 310 total cpu time spent up to now is 947.4 secs Computing kpt #: 311 total cpu time spent up to now is 949.8 secs Computing kpt #: 312 total cpu time spent up to now is 952.4 secs Computing kpt #: 313 total cpu time spent up to now is 955.0 secs Computing kpt #: 314 total cpu time spent up to now is 957.5 secs Computing kpt #: 315 total cpu time spent up to now is 960.3 secs Computing kpt #: 316 total cpu time spent up to now is 963.0 secs Computing kpt #: 317 total cpu time spent up to now is 965.7 secs Computing kpt #: 318 total cpu time spent up to now is 969.5 secs Computing kpt #: 319 total cpu time spent up to now is 972.7 secs Computing kpt #: 320 total cpu time spent up to now is 976.4 secs Computing kpt #: 321 total cpu time spent up to now is 980.1 secs Computing kpt #: 322 total cpu time spent up to now is 982.2 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 987.6 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 992.2 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 997.6 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1002.6 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1007.2 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1011.8 secs Computing kpt #: 329 total cpu time spent up to now is 1016.2 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1020.9 secs Computing kpt #: 331 total cpu time spent up to now is 1024.8 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1029.5 secs Computing kpt #: 333 total cpu time spent up to now is 1033.5 secs Computing kpt #: 334 total cpu time spent up to now is 1037.2 secs Computing kpt #: 335 total cpu time spent up to now is 1041.5 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1046.1 secs Computing kpt #: 337 total cpu time spent up to now is 1051.0 secs Computing kpt #: 338 total cpu time spent up to now is 1055.3 secs Computing kpt #: 339 total cpu time spent up to now is 1059.7 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1064.7 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1069.4 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1074.7 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1079.3 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1083.9 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1088.9 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1093.4 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1097.9 secs Computing kpt #: 348 total cpu time spent up to now is 1101.9 secs Computing kpt #: 349 total cpu time spent up to now is 1105.9 secs Computing kpt #: 350 total cpu time spent up to now is 1110.0 secs Computing kpt #: 351 total cpu time spent up to now is 1113.2 secs Computing kpt #: 352 total cpu time spent up to now is 1116.5 secs Computing kpt #: 353 total cpu time spent up to now is 1120.7 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1125.6 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1130.2 secs Computing kpt #: 356 total cpu time spent up to now is 1132.3 secs ethr = 2.08E-11, avg # of iterations = 56.5 total cpu time spent up to now is 1132.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4925 PWs) bands (ev): -13.3770 -13.3770 -12.5748 -12.5748 -11.2107 -11.2107 -9.9158 -9.9158 -9.7942 -9.7942 -9.5178 -9.5178 -4.4108 -4.4108 -3.7768 -3.7768 -3.7378 -3.7378 -1.1106 -1.1106 -0.7838 -0.7838 -0.7276 -0.7276 0.3001 0.3001 1.1437 1.1437 1.5085 1.5085 1.5698 1.5698 2.4498 2.4498 2.7661 2.7661 3.2406 3.2406 3.5360 3.5360 3.8317 3.8317 3.9598 3.9598 3.9738 3.9738 4.0522 4.0522 7.3018 7.3018 9.3352 9.3352 9.9482 9.9482 10.4485 10.4485 12.2540 12.2540 k = 0.0091 0.0147-0.0000 ( 4913 PWs) bands (ev): -13.3764 -13.3764 -12.5748 -12.5748 -11.2104 -11.2102 -9.9439 -9.9310 -9.7816 -9.7670 -9.5180 -9.5170 -4.4102 -4.4097 -3.8252 -3.8170 -3.6957 -3.6855 -1.1226 -1.1052 -0.7853 -0.7847 -0.7319 -0.7197 0.3024 0.3059 1.1442 1.1446 1.5054 1.5068 1.5665 1.5666 2.4504 2.4507 2.7648 2.7663 3.2423 3.2427 3.5325 3.5339 3.8217 3.8281 3.9605 3.9668 3.9732 3.9748 4.0523 4.0524 7.3059 7.3059 9.3371 9.3381 9.9491 9.9493 10.4496 10.4500 12.2183 12.2324 k = 0.0182 0.0294-0.0000 ( 4915 PWs) bands (ev): -13.3747 -13.3746 -12.5749 -12.5749 -11.2094 -11.2090 -9.9915 -9.9753 -9.7434 -9.7237 -9.5176 -9.5155 -4.4080 -4.4071 -3.8814 -3.8738 -3.6311 -3.6196 -1.1404 -1.1068 -0.7895 -0.7877 -0.7324 -0.7086 0.3127 0.3196 1.1459 1.1468 1.4973 1.5001 1.5569 1.5571 2.4525 2.4532 2.7624 2.7653 3.2476 3.2484 3.5231 3.5259 3.8020 3.8127 3.9641 3.9690 3.9797 3.9824 4.0528 4.0528 7.3182 7.3182 9.3438 9.3458 9.9519 9.9524 10.4533 10.4542 12.1768 12.1902 k = 0.0273 0.0442-0.0000 ( 4913 PWs) bands (ev): -13.3718 -13.3717 -12.5751 -12.5750 -11.2075 -11.2070 -10.0455 -10.0289 -9.6992 -9.6774 -9.5164 -9.5133 -4.4041 -4.4027 -3.9353 -3.9286 -3.5627 -3.5502 -1.1629 -1.1157 -0.7966 -0.7928 -0.7287 -0.6947 0.3305 0.3408 1.1489 1.1503 1.4842 1.4887 1.5412 1.5413 2.4561 2.4570 2.7589 2.7633 3.2564 3.2576 3.5077 3.5117 3.7772 3.7906 3.9632 3.9657 3.9917 3.9979 4.0534 4.0534 7.3385 7.3385 9.3553 9.3582 9.9566 9.9574 10.4597 10.4609 12.1326 12.1451 k = 0.0363 0.0589-0.0000 ( 4933 PWs) bands (ev): -13.3677 -13.3676 -12.5753 -12.5752 -11.2049 -11.2042 -10.1026 -10.0863 -9.6547 -9.6314 -9.5146 -9.5105 -4.3987 -4.3968 -3.9861 -3.9804 -3.4916 -3.4780 -1.1894 -1.1313 -0.8065 -0.8001 -0.7203 -0.6785 0.3555 0.3689 1.1532 1.1550 1.4659 1.4725 1.5191 1.5201 2.4610 2.4621 2.7546 2.7603 3.2681 3.2696 3.4857 3.4907 3.7507 3.7657 3.9595 3.9611 4.0061 4.0136 4.0541 4.0542 7.3665 7.3665 9.3712 9.3751 9.9632 9.9642 10.4685 10.4701 12.0862 12.0978 k = 0.0454 0.0736-0.0000 ( 4935 PWs) bands (ev): -13.3625 -13.3624 -12.5756 -12.5754 -11.2016 -11.2007 -10.1616 -10.1459 -9.6114 -9.5869 -9.5121 -9.5070 -4.3916 -4.3893 -4.0338 -4.0290 -3.4179 -3.4034 -1.2191 -1.1528 -0.8190 -0.8099 -0.7073 -0.6599 0.3868 0.4033 1.1587 1.1610 1.4424 1.4518 1.4911 1.4938 2.4671 2.4682 2.7495 2.7567 3.2823 3.2840 3.4571 3.4626 3.7246 3.7405 3.9543 3.9554 4.0204 4.0283 4.0549 4.0549 7.4017 7.4018 9.3913 9.3961 9.9716 9.9730 10.4797 10.4818 12.0379 12.0486 k = 0.0545 0.0883-0.0000 ( 4943 PWs) bands (ev): -13.3562 -13.3561 -12.5759 -12.5757 -11.1974 -11.1963 -10.2219 -10.2068 -9.5702 -9.5446 -9.5087 -9.5029 -4.3829 -4.3802 -4.0783 -4.0743 -3.3420 -3.3265 -1.2512 -1.1790 -0.8340 -0.8223 -0.6898 -0.6391 0.4238 0.4432 1.1654 1.1682 1.4131 1.4263 1.4576 1.4633 2.4741 2.4752 2.7440 2.7525 3.2982 3.3000 3.4220 3.4276 3.7001 3.7161 3.9481 3.9489 4.0338 4.0419 4.0555 4.0556 7.4436 7.4438 9.4153 9.4210 9.9819 9.9835 10.4931 10.4957 11.9878 11.9976 k = 0.0636 0.1030-0.0000 ( 4947 PWs) bands (ev): -13.3488 -13.3487 -12.5763 -12.5761 -11.1924 -11.1912 -10.2833 -10.2688 -9.5321 -9.5050 -9.5041 -9.4977 -4.3727 -4.3695 -4.1194 -4.1162 -3.2639 -3.2476 -1.2850 -1.2088 -0.8515 -0.8372 -0.6683 -0.6160 0.4657 0.4878 1.1732 1.1765 1.3777 1.3959 1.4194 1.4295 2.4818 2.4827 2.7380 2.7479 3.3148 3.3160 3.3820 3.3865 3.6774 3.6932 3.9411 3.9416 4.0458 4.0542 4.0560 4.0565 7.4917 7.4920 9.4429 9.4494 9.9938 9.9958 10.5086 10.5117 11.9360 11.9449 k = 0.0727 0.1178-0.0000 ( 4955 PWs) bands (ev): -13.3403 -13.3401 -12.5767 -12.5765 -11.1867 -11.1852 -10.3453 -10.3316 -9.5057 -9.4932 -9.4896 -9.4668 -4.3608 -4.3573 -4.1573 -4.1549 -3.1839 -3.1667 -1.3199 -1.2411 -0.8714 -0.8545 -0.6431 -0.5904 0.5118 0.5364 1.1820 1.1860 1.3359 1.3592 1.3783 1.3932 2.4899 2.4904 2.7319 2.7431 3.3189 3.3250 3.3471 3.3505 3.6564 3.6717 3.9335 3.9338 4.0538 4.0561 4.0604 4.0657 7.5455 7.5459 9.4735 9.4807 10.0074 10.0098 10.5259 10.5294 11.8828 11.8907 k = 0.0818 0.1325-0.0000 ( 4941 PWs) bands (ev): -13.3308 -13.3306 -12.5772 -12.5770 -11.1801 -11.1784 -10.4079 -10.3949 -9.4981 -9.4872 -9.4583 -9.4321 -4.3475 -4.3435 -4.1918 -4.1902 -3.1021 -3.0840 -1.3554 -1.2750 -0.8935 -0.8741 -0.6146 -0.5623 0.5614 0.5882 1.1917 1.1964 1.2879 1.3139 1.3371 1.3547 2.4979 2.4980 2.7258 2.7383 3.2770 3.2842 3.3545 3.3599 3.6370 3.6515 3.9254 3.9256 4.0550 4.0561 4.0702 4.0765 7.6042 7.6048 9.5067 9.5146 10.0225 10.0254 10.5447 10.5487 11.8283 11.8352 k = 0.0908 0.1472-0.0000 ( 4937 PWs) bands (ev): -13.3202 -13.3200 -12.5778 -12.5776 -11.1727 -11.1708 -10.4709 -10.4585 -9.4923 -9.4808 -9.4276 -9.4003 -4.3327 -4.3283 -4.2232 -4.2222 -3.0187 -2.9997 -1.3909 -1.3096 -0.9178 -0.8959 -0.5829 -0.5316 0.6138 0.6427 1.2019 1.2076 1.2341 1.2608 1.2957 1.3145 2.5050 2.5054 2.7198 2.7335 3.2240 3.2305 3.3711 3.3767 3.6188 3.6324 3.9170 3.9171 4.0549 4.0558 4.0807 4.0869 7.6673 7.6681 9.5421 9.5506 10.0392 10.0425 10.5646 10.5691 11.7726 11.7786 k = 0.0999 0.1619-0.0000 ( 4933 PWs) bands (ev): -13.3087 -13.3084 -12.5785 -12.5782 -11.1644 -11.1623 -10.5340 -10.5223 -9.4862 -9.4739 -9.3995 -9.3714 -4.3164 -4.3117 -4.2513 -4.2510 -2.9339 -2.9141 -1.4258 -1.3443 -0.9442 -0.9198 -0.5483 -0.4983 0.6685 0.6992 1.1751 1.2016 1.2115 1.2192 1.2533 1.2738 2.5110 2.5119 2.7143 2.7290 3.1682 3.1742 3.3871 3.3931 3.6020 3.6146 3.9083 3.9085 4.0544 4.0552 4.0912 4.0971 7.7342 7.7352 9.5792 9.5882 10.0572 10.0611 10.5851 10.5901 11.7160 11.7212 k = 0.1090 0.1766-0.0000 ( 4925 PWs) bands (ev): -13.2962 -13.2959 -12.5791 -12.5789 -11.1553 -11.1530 -10.5972 -10.5861 -9.4798 -9.4665 -9.3742 -9.3454 -4.2987 -4.2940 -4.2766 -4.2761 -2.8478 -2.8272 -1.4598 -1.3783 -0.9725 -0.9457 -0.5107 -0.4623 0.7249 0.7572 1.1113 1.1379 1.2036 1.2087 1.2361 1.2439 2.5154 2.5168 2.7095 2.7251 3.1108 3.1165 3.4012 3.4079 3.5868 3.5983 3.8994 3.8998 4.0537 4.0545 4.1017 4.1073 7.8042 7.8055 9.6175 9.6269 10.0766 10.0810 10.6056 10.6112 11.6589 11.6633 k = 0.1181 0.1914-0.0000 ( 4938 PWs) bands (ev): -13.2828 -13.2825 -12.5799 -12.5797 -11.1453 -11.1428 -10.6604 -10.6498 -9.4729 -9.4587 -9.3518 -9.3225 -4.2997 -4.2993 -4.2793 -4.2736 -2.7606 -2.7392 -1.4924 -1.4113 -1.0026 -0.9734 -0.4704 -0.4237 0.7824 0.8159 1.0435 1.0696 1.1571 1.1713 1.2474 1.2487 2.5177 2.5194 2.7057 2.7221 3.0528 3.0584 3.4124 3.4202 3.5740 3.5841 3.8906 3.8911 4.0527 4.0535 4.1123 4.1175 7.8769 7.8786 9.6566 9.6663 10.0973 10.1023 10.6254 10.6316 11.6016 11.6055 k = 0.1272 0.2061-0.0000 ( 4934 PWs) bands (ev): -13.2685 -13.2682 -12.5807 -12.5805 -11.1344 -11.1316 -10.7233 -10.7133 -9.4657 -9.4505 -9.3323 -9.3026 -4.3196 -4.3187 -4.2589 -4.2530 -2.6725 -2.6503 -1.5232 -1.4426 -1.0345 -1.0028 -0.4274 -0.3825 0.8403 0.8730 0.9739 0.9971 1.1079 1.1239 1.2597 1.2631 2.5174 2.5192 2.7034 2.7201 2.9949 3.0005 3.4198 3.4287 3.5644 3.5731 3.8819 3.8825 4.0515 4.0523 4.1229 4.1278 7.9518 7.9538 9.6961 9.7060 10.1192 10.1250 10.6436 10.6504 11.5448 11.5484 k = 0.1363 0.2208-0.0000 ( 4948 PWs) bands (ev): -13.2534 -13.2531 -12.5816 -12.5814 -11.1225 -11.1196 -10.7858 -10.7764 -9.4581 -9.4419 -9.3157 -9.2857 -4.3371 -4.3358 -4.2372 -4.2310 -2.5837 -2.5607 -1.5517 -1.4719 -1.0678 -1.0339 -0.3819 -0.3386 0.8823 0.8956 0.9222 0.9483 1.0584 1.0735 1.2740 1.2782 2.5141 2.5156 2.7025 2.7193 2.9377 2.9434 3.4225 3.4325 3.5589 3.5662 3.8735 3.8742 4.0503 4.0511 4.1335 4.1380 8.0282 8.0307 9.7356 9.7456 10.1424 10.1489 10.6589 10.6665 11.4895 11.4928 k = 0.1454 0.2355-0.0000 ( 4948 PWs) bands (ev): -13.2376 -13.2372 -12.5826 -12.5823 -11.1097 -11.1065 -10.8480 -10.8391 -9.4501 -9.4330 -9.3020 -9.2718 -4.3521 -4.3505 -4.2142 -4.2078 -2.4944 -2.4706 -1.5777 -1.4988 -1.1026 -1.0663 -0.3338 -0.2923 0.8084 0.8396 0.9455 1.0022 1.0169 1.0215 1.2893 1.2938 2.5076 2.5085 2.7029 2.7196 2.8817 2.8879 3.4203 3.4312 3.5577 3.5639 3.8654 3.8663 4.0490 4.0498 4.1438 4.1481 8.1059 8.1088 9.7749 9.7847 10.1669 10.1742 10.6700 10.6783 11.4366 11.4400 k = 0.1544 0.2503-0.0000 ( 4944 PWs) bands (ev): -13.2211 -13.2207 -12.5836 -12.5833 -11.0960 -11.0925 -10.9095 -10.9012 -9.4420 -9.4239 -9.2911 -9.2607 -4.3651 -4.3633 -4.1901 -4.1834 -2.4047 -2.3802 -1.6008 -1.5229 -1.1386 -1.1000 -0.2834 -0.2436 0.7256 0.7560 0.9323 0.9680 1.0344 1.0609 1.3055 1.3100 2.4977 2.4977 2.7040 2.7206 2.8277 2.8347 3.4142 3.4256 3.5600 3.5657 3.8579 3.8588 4.0479 4.0487 4.1538 4.1579 8.1843 8.1877 9.8135 9.8232 10.1927 10.2008 10.6752 10.6842 11.3878 11.3914 k = 0.1635 0.2650-0.0000 ( 4948 PWs) bands (ev): -13.2039 -13.2035 -12.5847 -12.5844 -11.0813 -11.0775 -10.9704 -10.9626 -9.4336 -9.4146 -9.2829 -9.2524 -4.3762 -4.3742 -4.1648 -4.1580 -2.3149 -2.2897 -1.6207 -1.5439 -1.1757 -1.1348 -0.2307 -0.1925 0.6390 0.6689 0.8822 0.9136 1.0872 1.1188 1.3230 1.3268 2.4833 2.4844 2.7043 2.7206 2.7776 2.7855 3.4054 3.4168 3.5648 3.5703 3.8509 3.8519 4.0469 4.0477 4.1631 4.1670 8.2631 8.2671 9.8515 9.8608 10.2200 10.2289 10.6725 10.6823 11.3444 11.3485 k = 0.1726 0.2797-0.0000 ( 4952 PWs) bands (ev): -13.1861 -13.1857 -12.5858 -12.5856 -11.0657 -11.0615 -11.0303 -11.0232 -9.4251 -9.4051 -9.2772 -9.2467 -4.3858 -4.3836 -4.1386 -4.1315 -2.2253 -2.1992 -1.6369 -1.5615 -1.2137 -1.1705 -0.1760 -0.1393 0.5491 0.5787 0.8273 0.8586 1.1427 1.1743 1.3425 1.3446 2.4654 2.4677 2.6975 2.7089 2.7422 2.7465 3.3952 3.4064 3.5709 3.5765 3.8446 3.8457 4.0461 4.0469 4.1715 4.1752 8.3419 8.3465 9.8885 9.8974 10.2489 10.2585 10.6604 10.6709 11.3081 11.3128 k = 0.1817 0.2944-0.0000 ( 4942 PWs) bands (ev): -13.1678 -13.1674 -12.5870 -12.5868 -11.0903 -11.0831 -11.0482 -11.0442 -9.4165 -9.3956 -9.2740 -9.2436 -4.3940 -4.3917 -4.1114 -4.1042 -2.1362 -2.1091 -1.6491 -1.5754 -1.2523 -1.2069 -0.1192 -0.0841 0.4563 0.4856 0.7711 0.8031 1.1967 1.2253 1.3641 1.3657 2.4439 2.4474 2.6703 2.6710 2.7314 2.7364 3.3847 3.3955 3.5775 3.5834 3.8392 3.8402 4.0458 4.0465 4.1788 4.1824 8.4204 8.4257 9.9247 9.9331 10.2793 10.2896 10.6376 10.6487 11.2799 11.2852 k = 0.1908 0.3091-0.0000 ( 4938 PWs) bands (ev): -13.1491 -13.1486 -12.5882 -12.5880 -11.1486 -11.1419 -11.0305 -11.0261 -9.4079 -9.3862 -9.2731 -9.2429 -4.4012 -4.3988 -4.0833 -4.0760 -2.0480 -2.0197 -1.6569 -1.5851 -1.2913 -1.2438 -0.0607 -0.0271 0.3611 0.3899 0.7143 0.7474 1.2465 1.2688 1.3869 1.3952 2.4184 2.4232 2.6300 2.6333 2.7298 2.7374 3.3745 3.3847 3.5840 3.5903 3.8347 3.8356 4.0459 4.0466 4.1846 4.1882 8.4983 8.5043 9.9601 9.9679 10.3114 10.3224 10.6040 10.6154 11.2598 11.2658 k = 0.1999 0.3239-0.0000 ( 4938 PWs) bands (ev): -13.1300 -13.1295 -12.5895 -12.5893 -11.2060 -11.1997 -11.0115 -11.0068 -9.3994 -9.3769 -9.2744 -9.2444 -4.4076 -4.4052 -4.0545 -4.0471 -1.9616 -1.9315 -1.6593 -1.5902 -1.3305 -1.2809 -0.0008 0.0311 0.2639 0.2919 0.6575 0.6917 1.2893 1.3023 1.4153 1.4331 2.3889 2.3947 2.5927 2.5977 2.7308 2.7389 3.3651 3.3746 3.5901 3.5968 3.8311 3.8320 4.0466 4.0472 4.1889 4.1924 8.5753 8.5820 9.9947 10.0019 10.3452 10.3567 10.5604 10.5719 11.2470 11.2535 k = 0.2089 0.3386-0.0000 ( 4920 PWs) bands (ev): -13.1106 -13.1101 -12.5908 -12.5906 -11.2623 -11.2564 -10.9913 -10.9863 -9.3911 -9.3677 -9.2776 -9.2480 -4.4134 -4.4110 -4.0250 -4.0176 -1.8785 -1.8453 -1.6550 -1.5899 -1.3695 -1.3180 0.0601 0.0884 0.1671 0.1922 0.6008 0.6362 1.3225 1.3265 1.4516 1.4786 2.3553 2.3618 2.5605 2.5664 2.7318 2.7399 3.3567 3.3655 3.5957 3.6029 3.8286 3.8293 4.0481 4.0486 4.1913 4.1949 8.6512 8.6587 10.0289 10.0355 10.3806 10.3922 10.5085 10.5197 11.2399 11.2466 k = 0.2180 0.3533-0.0000 ( 4920 PWs) bands (ev): -13.0909 -13.0904 -12.5922 -12.5920 -11.3175 -11.3120 -10.9700 -10.9647 -9.3831 -9.3589 -9.2827 -9.2534 -4.4190 -4.4165 -3.9950 -3.9876 -1.8024 -1.7631 -1.6402 -1.5822 -1.4081 -1.3547 0.0576 0.0859 0.1268 0.1576 0.5444 0.5811 1.3440 1.3464 1.4953 1.5287 2.3179 2.3249 2.5333 2.5396 2.7320 2.7398 3.3496 3.3576 3.6006 3.6082 3.8273 3.8277 4.0504 4.0508 4.1917 4.1953 8.7258 8.7341 10.0629 10.0689 10.4171 10.4255 10.4536 10.4610 11.2365 11.2432 k = 0.2271 0.3680-0.0000 ( 4924 PWs) bands (ev): -13.0712 -13.0706 -12.5936 -12.5934 -11.3715 -11.3663 -10.9475 -10.9418 -9.3754 -9.3505 -9.2894 -9.2606 -4.4245 -4.4220 -3.9646 -3.9572 -1.7410 -1.6901 -1.6074 -1.5622 -1.4460 -1.3908 -0.0434 -0.0151 0.1872 0.2176 0.4886 0.5263 1.3572 1.3635 1.5435 1.5809 2.2776 2.2848 2.5110 2.5173 2.7310 2.7386 3.3438 3.3511 3.6046 3.6128 3.8271 3.8273 4.0537 4.0541 4.1900 4.1936 8.7989 8.8080 10.0969 10.1022 10.3825 10.3947 10.4575 10.4713 11.2346 11.2408 k = 0.2362 0.3827-0.0000 ( 4924 PWs) bands (ev): -13.0513 -13.0507 -12.5950 -12.5949 -11.4242 -11.4194 -10.9238 -10.9178 -9.3682 -9.3425 -9.2976 -9.2694 -4.4300 -4.4275 -3.9338 -3.9265 -1.6999 -1.6362 -1.5512 -1.5199 -1.4827 -1.4259 -0.1473 -0.1198 0.2500 0.2797 0.4337 0.4722 1.3674 1.3761 1.5939 1.6337 2.2351 2.2423 2.4927 2.4990 2.7287 2.7361 3.3395 3.3459 3.6078 3.6165 3.8279 3.8281 4.0581 4.0584 4.1859 4.1896 8.8702 8.8802 10.1311 10.1358 10.3150 10.3265 10.4973 10.5108 11.2316 11.2360 k = 0.2453 0.3975-0.0000 ( 4926 PWs) bands (ev): -13.0314 -13.0308 -12.5964 -12.5963 -11.4756 -11.4711 -10.8989 -10.8925 -9.3615 -9.3352 -9.3071 -9.2795 -4.4358 -4.4333 -3.9029 -3.8956 -1.6713 -1.6022 -1.5179 -1.4797 -1.4616 -1.4528 -0.2524 -0.2257 0.3104 0.3418 0.3819 0.4189 1.3754 1.3857 1.6449 1.6862 2.1912 2.1983 2.4780 2.4841 2.7250 2.7322 3.3365 3.3421 3.6102 3.6193 3.8297 3.8303 4.0638 4.0639 4.1795 4.1833 8.9398 8.9506 10.1657 10.1694 10.2448 10.2553 10.5388 10.5521 11.2219 11.2231 k = 0.2544 0.4122-0.0000 ( 4934 PWs) bands (ev): -13.0116 -13.0110 -12.5979 -12.5978 -11.5256 -11.5214 -10.8727 -10.8660 -9.3556 -9.3286 -9.3178 -9.2908 -4.4419 -4.4394 -3.8718 -3.8647 -1.6463 -1.5758 -1.5505 -1.4923 -1.4023 -1.3788 -0.3584 -0.3324 0.3171 0.3644 0.3840 0.4053 1.3817 1.3931 1.6956 1.7380 2.1465 2.1534 2.4664 2.4722 2.7199 2.7268 3.3350 3.3398 3.6116 3.6212 3.8327 3.8337 4.0708 4.0708 4.1707 4.1746 9.0076 9.0192 10.1693 10.1822 10.2009 10.2070 10.5816 10.5947 11.1917 11.1929 k = 0.2635 0.4269-0.0000 ( 4930 PWs) bands (ev): -12.9920 -12.9914 -12.5993 -12.5992 -11.5742 -11.5703 -10.8453 -10.8382 -9.3504 -9.3294 -9.3229 -9.3031 -4.4484 -4.4460 -3.8408 -3.8338 -1.6239 -1.5776 -1.5496 -1.5225 -1.3233 -1.3005 -0.4649 -0.4397 0.2669 0.3127 0.4424 0.4655 1.3869 1.3990 1.7456 1.7887 2.1014 2.1082 2.4576 2.4632 2.7134 2.7201 3.3348 3.3388 3.6121 3.6222 3.8368 3.8383 4.0790 4.0791 4.1594 4.1635 9.0733 9.0858 10.0970 10.1081 10.2365 10.2408 10.6256 10.6383 11.1338 11.1355 k = 0.2725 0.4416-0.0000 ( 4940 PWs) bands (ev): -12.9726 -12.9720 -12.6007 -12.6006 -11.6213 -11.6176 -10.8167 -10.8092 -9.3464 -9.3417 -9.3181 -9.3163 -4.4555 -4.4530 -3.8099 -3.8031 -1.6239 -1.5772 -1.5508 -1.5210 -1.2445 -1.2220 -0.5717 -0.5471 0.2145 0.2610 0.5016 0.5244 1.3914 1.4040 1.7944 1.8381 2.0564 2.0629 2.4512 2.4566 2.7057 2.7120 3.3359 3.3390 3.6117 3.6223 3.8421 3.8440 4.0887 4.0889 4.1458 4.1499 9.1371 9.1505 10.0231 10.0335 10.2726 10.2763 10.6706 10.6827 11.0566 11.0625 k = 0.2816 0.4563-0.0000 ( 4944 PWs) bands (ev): -12.9536 -12.9529 -12.6020 -12.6020 -11.6669 -11.6635 -10.7868 -10.7789 -9.3552 -9.3428 -9.3303 -9.3144 -4.4630 -4.4605 -3.7792 -3.7727 -1.6459 -1.5762 -1.5490 -1.4896 -1.1668 -1.1445 -0.6783 -0.6546 0.1623 0.2098 0.5585 0.5805 1.3960 1.4089 1.8419 1.8859 2.0117 2.0181 2.4473 2.4524 2.6968 2.7028 3.3381 3.3404 3.6104 3.6215 3.8486 3.8509 4.0999 4.1000 4.1299 4.1341 9.1989 9.2130 9.9492 9.9591 10.3090 10.3124 10.7166 10.7277 10.9743 10.9833 k = 0.2907 0.4711-0.0000 ( 4948 PWs) bands (ev): -12.9349 -12.9342 -12.6034 -12.6033 -11.7109 -11.7077 -10.7556 -10.7474 -9.3688 -9.3447 -9.3407 -9.3119 -4.4710 -4.4685 -3.7488 -3.7426 -1.6685 -1.5989 -1.5140 -1.4550 -1.0906 -1.0684 -0.7844 -0.7617 0.1104 0.1591 0.6115 0.6327 1.4013 1.4143 1.8876 1.9314 1.9679 1.9746 2.4456 2.4505 2.6868 2.6924 3.3413 3.3429 3.6083 3.6198 3.8562 3.8590 4.1106 4.1125 4.1137 4.1161 9.2587 9.2736 9.8758 9.8851 10.3455 10.3487 10.7634 10.7725 10.8922 10.9040 k = 0.2998 0.4858-0.0000 ( 4940 PWs) bands (ev): -12.9167 -12.9159 -12.6046 -12.6046 -11.7533 -11.7503 -10.7233 -10.7145 -9.3828 -9.3596 -9.3399 -9.3107 -4.4795 -4.4769 -3.7188 -3.7128 -1.6887 -1.6185 -1.4749 -1.4170 -1.0169 -0.9942 -0.8893 -0.8681 0.0590 0.1088 0.6595 0.6796 1.4086 1.4214 1.9189 1.9284 1.9377 1.9784 2.4461 2.4507 2.6760 2.6812 3.3454 3.3463 3.6052 3.6172 3.8650 3.8682 4.0912 4.0959 4.1265 4.1266 9.3164 9.3320 9.8033 9.8121 10.3818 10.3849 10.8024 10.8109 10.8121 10.8416 k = 0.3089 0.5005-0.0000 ( 4938 PWs) bands (ev): -12.8990 -12.8983 -12.6059 -12.6058 -11.7940 -11.7913 -10.6897 -10.6805 -9.3970 -9.3747 -9.3405 -9.3109 -4.4884 -4.4858 -3.6892 -3.6835 -1.7058 -1.6350 -1.4323 -1.3758 -0.9986 -0.9736 -0.9397 -0.9221 0.0078 0.0588 0.7009 0.7199 1.4188 1.4312 1.8804 1.8862 1.9763 2.0204 2.4486 2.4529 2.6645 2.6692 3.3502 3.3505 3.6013 3.6138 3.8750 3.8786 4.0689 4.0737 4.1417 4.1417 9.3721 9.3884 9.7320 9.7403 10.4175 10.4206 10.7352 10.7418 10.8591 10.8728 k = 0.3180 0.5152-0.0000 ( 4918 PWs) bands (ev): -12.8819 -12.8812 -12.6070 -12.6068 -11.8331 -11.8305 -10.6549 -10.6453 -9.4114 -9.3899 -9.3425 -9.3127 -4.4977 -4.4951 -3.6600 -3.6546 -1.7196 -1.6484 -1.3868 -1.3314 -1.0992 -1.0774 -0.8718 -0.8524 -0.0431 0.0090 0.7344 0.7522 1.4331 1.4449 1.8393 1.8446 2.0168 2.0609 2.4531 2.4570 2.6526 2.6567 3.3553 3.3556 3.5965 3.6095 3.8861 3.8900 4.0448 4.0498 4.1578 4.1580 9.4258 9.4426 9.6623 9.6701 10.4522 10.4554 10.6623 10.6701 10.9079 10.9192 k = 0.3270 0.5299-0.0000 ( 4914 PWs) bands (ev): -12.8655 -12.8648 -12.6080 -12.6078 -11.8704 -11.8681 -10.6190 -10.6089 -9.4257 -9.4052 -9.3461 -9.3162 -4.5073 -4.5047 -3.6311 -3.6261 -1.7305 -1.6591 -1.3390 -1.2842 -1.1989 -1.1790 -0.8042 -0.7851 -0.0938 -0.0406 0.7588 0.7752 1.4524 1.4634 1.7993 1.8042 2.0554 2.0994 2.4594 2.4629 2.6405 2.6438 3.3607 3.3615 3.5910 3.6044 3.8984 3.9026 4.0191 4.0243 4.1748 4.1752 9.4774 9.4947 9.5944 9.6016 10.4847 10.4881 10.5944 10.6021 10.9569 10.9668 k = 0.3361 0.5447-0.0000 ( 4922 PWs) bands (ev): -12.8499 -12.8491 -12.6088 -12.6086 -11.9060 -11.9038 -10.5820 -10.5714 -9.4399 -9.4203 -9.3514 -9.3214 -4.5170 -4.5145 -3.6026 -3.5979 -1.7390 -1.6681 -1.3118 -1.2772 -1.2726 -1.2341 -0.7390 -0.7205 -0.1444 -0.0901 0.7733 0.7884 1.4771 1.4871 1.7608 1.7650 2.0920 2.1357 2.4674 2.4702 2.6284 2.6308 3.3664 3.3677 3.5846 3.5984 3.9119 3.9163 3.9921 3.9975 4.1924 4.1931 9.5244 9.5311 9.5349 9.5449 10.5039 10.5089 10.5428 10.5486 11.0061 11.0147 k = 0.3452 0.5594-0.0000 ( 4918 PWs) bands (ev): -12.8350 -12.8342 -12.6096 -12.6093 -11.9398 -11.9378 -10.5440 -10.5329 -9.4539 -9.4353 -9.3585 -9.3285 -4.5269 -4.5244 -3.5742 -3.5698 -1.7468 -1.6776 -1.3948 -1.3689 -1.2286 -1.1816 -0.6764 -0.6586 -0.1951 -0.1398 0.7778 0.7917 1.5072 1.5159 1.7240 1.7275 2.1265 2.1697 2.4768 2.4788 2.6168 2.6180 3.3725 3.3742 3.5773 3.5916 3.9266 3.9309 3.9640 3.9696 4.2103 4.2113 9.4647 9.4711 9.5745 9.5923 10.4605 10.4671 10.5565 10.5604 11.0553 11.0625 k = 0.3452 0.5594-0.0000 ( 4918 PWs) bands (ev): -12.8350 -12.8342 -12.6096 -12.6093 -11.9398 -11.9378 -10.5440 -10.5329 -9.4539 -9.4353 -9.3585 -9.3285 -4.5269 -4.5244 -3.5742 -3.5698 -1.7468 -1.6776 -1.3948 -1.3689 -1.2286 -1.1816 -0.6764 -0.6586 -0.1951 -0.1398 0.7778 0.7917 1.5072 1.5159 1.7240 1.7275 2.1265 2.1697 2.4768 2.4788 2.6168 2.6180 3.3725 3.3742 3.5773 3.5916 3.9266 3.9309 3.9640 3.9696 4.2103 4.2113 9.4647 9.4711 9.5745 9.5923 10.4605 10.4671 10.5565 10.5604 11.0553 11.0625 k = 0.3280 0.5594-0.0000 ( 4922 PWs) bands (ev): -12.8431 -12.8423 -12.6101 -12.6099 -11.9205 -11.9184 -10.5645 -10.5537 -9.4465 -9.4275 -9.3544 -9.3244 -4.5215 -4.5189 -3.5902 -3.5856 -1.7430 -1.6727 -1.3549 -1.3296 -1.2496 -1.2051 -0.7070 -0.6884 -0.1667 -0.1119 0.7766 0.7911 1.4891 1.4986 1.7427 1.7469 2.1085 2.1517 2.4729 2.4758 2.6236 2.6254 3.3697 3.3712 3.5803 3.5942 3.9178 3.9221 3.9801 3.9854 4.2004 4.2013 9.4915 9.4975 9.5556 9.5722 10.4818 10.4987 10.5399 10.5574 11.0303 11.0379 k = 0.3107 0.5594-0.0000 ( 4920 PWs) bands (ev): -12.8519 -12.8511 -12.6122 -12.6120 -11.8973 -11.8951 -10.5858 -10.5752 -9.4391 -9.4196 -9.3505 -9.3206 -4.5154 -4.5129 -3.6084 -3.6037 -1.7403 -1.6697 -1.3383 -1.3147 -1.2427 -1.2130 -0.7329 -0.7127 -0.1352 -0.0810 0.7727 0.7879 1.4689 1.4792 1.7608 1.7655 2.0904 2.1331 2.4717 2.4759 2.6322 2.6344 3.3678 3.3691 3.5806 3.5942 3.9094 3.9138 3.9961 4.0012 4.1902 4.1909 9.4944 9.5001 9.5609 9.5707 10.4846 10.5214 10.5362 10.5759 11.0069 11.0146 k = 0.2934 0.5594-0.0000 ( 4925 PWs) bands (ev): -12.8612 -12.8604 -12.6158 -12.6156 -11.8707 -11.8684 -10.6078 -10.5975 -9.4316 -9.4117 -9.3468 -9.3170 -4.5087 -4.5062 -3.6286 -3.6238 -1.7386 -1.6686 -1.3496 -1.3212 -1.2152 -1.2006 -0.7510 -0.7291 -0.1013 -0.0477 0.7665 0.7824 1.4467 1.4577 1.7769 1.7814 2.0741 2.1153 2.4732 2.4787 2.6422 2.6446 3.3667 3.3678 3.5779 3.5910 3.9026 3.9073 4.0102 4.0151 4.1805 4.1813 9.4754 9.4843 9.5830 9.5883 10.4771 10.5070 10.5728 10.6072 10.9853 10.9929 k = 0.2762 0.5594-0.0000 ( 4929 PWs) bands (ev): -12.8707 -12.8700 -12.6206 -12.6204 -11.8411 -11.8387 -10.6306 -10.6206 -9.4240 -9.4039 -9.3432 -9.3137 -4.5014 -4.4989 -3.6507 -3.6459 -1.7381 -1.6694 -1.3693 -1.3379 -1.1890 -1.1805 -0.7588 -0.7355 -0.0655 -0.0125 0.7584 0.7751 1.4225 1.4342 1.7888 1.7924 2.0619 2.1005 2.4770 2.4837 2.6536 2.6560 3.3663 3.3672 3.5718 3.5844 3.8981 3.9030 4.0208 4.0255 4.1730 4.1738 9.4529 9.4630 9.6065 9.6103 10.4675 10.4938 10.6107 10.6431 10.9659 10.9734 k = 0.2589 0.5594-0.0000 ( 4923 PWs) bands (ev): -12.8804 -12.8797 -12.6262 -12.6260 -11.8091 -11.8066 -10.6542 -10.6445 -9.4165 -9.3961 -9.3398 -9.3106 -4.4932 -4.4908 -3.6744 -3.6696 -1.7390 -1.6726 -1.3890 -1.3577 -1.1704 -1.1636 -0.7546 -0.7308 -0.0283 0.0242 0.7487 0.7663 1.3966 1.4088 1.7933 1.7968 2.0566 2.0909 2.4828 2.4906 2.6661 2.6685 3.3662 3.3670 3.5624 3.5743 3.8958 3.9011 4.0261 4.0304 4.1694 4.1704 9.4311 9.4414 9.6278 9.6309 10.4588 10.4828 10.6483 10.6802 10.9490 10.9566 k = 0.2416 0.5594-0.0000 ( 4931 PWs) bands (ev): -12.8901 -12.8894 -12.6324 -12.6322 -11.7752 -11.7725 -10.6787 -10.6692 -9.4090 -9.3885 -9.3366 -9.3077 -4.4844 -4.4820 -3.6996 -3.6949 -1.7413 -1.6781 -1.4074 -1.3780 -1.1602 -1.1525 -0.7389 -0.7154 0.0101 0.0620 0.7379 0.7565 1.3693 1.3820 1.7872 1.7940 2.0600 2.0887 2.4900 2.4988 2.6796 2.6819 3.3662 3.3671 3.5500 3.5612 3.8957 3.9010 4.0249 4.0287 4.1711 4.1723 9.4109 9.4210 9.6462 9.6489 10.4517 10.4741 10.6846 10.7165 10.9354 10.9434 k = 0.2244 0.5594-0.0000 ( 4933 PWs) bands (ev): -12.8996 -12.8989 -12.6389 -12.6387 -11.7396 -11.7368 -10.7039 -10.6947 -9.4017 -9.3810 -9.3335 -9.3051 -4.4747 -4.4724 -3.7261 -3.7215 -1.7450 -1.6859 -1.4244 -1.3980 -1.1560 -1.1463 -0.7138 -0.6914 0.0495 0.1007 0.7263 0.7459 1.3408 1.3540 1.7713 1.7825 2.0719 2.0947 2.4983 2.5079 2.6941 2.6962 3.3659 3.3670 3.5355 3.5458 3.8969 3.9021 4.0178 4.0210 4.1778 4.1793 9.3927 9.4024 9.6616 9.6638 10.4468 10.4678 10.7183 10.7502 10.9263 10.9347 k = 0.2071 0.5594-0.0000 ( 4930 PWs) bands (ev): -12.9088 -12.9081 -12.6456 -12.6454 -11.7028 -11.6999 -10.7298 -10.7210 -9.3945 -9.3739 -9.3305 -9.3028 -4.4642 -4.4619 -3.7535 -3.7490 -1.7499 -1.6954 -1.4406 -1.4176 -1.1549 -1.1431 -0.6824 -0.6615 0.0894 0.1400 0.7142 0.7349 1.3116 1.3252 1.7477 1.7629 2.0906 2.1081 2.5073 2.5175 2.7094 2.7113 3.3646 3.3662 3.5199 3.5294 3.8986 3.9034 4.0066 4.0092 4.1883 4.1899 9.3766 9.3859 9.6739 9.6758 10.4441 10.4636 10.7477 10.7789 10.9238 10.9320 k = 0.1899 0.5594-0.0000 ( 4934 PWs) bands (ev): -12.9176 -12.9170 -12.6522 -12.6521 -11.6653 -11.6622 -10.7565 -10.7480 -9.3875 -9.3671 -9.3277 -9.3007 -4.4528 -4.4507 -3.7816 -3.7773 -1.7559 -1.7064 -1.4565 -1.4368 -1.1542 -1.1408 -0.6474 -0.6283 0.1297 0.1796 0.7020 0.7239 1.2822 1.2962 1.7188 1.7370 2.1139 2.1271 2.5165 2.5271 2.7254 2.7271 3.3615 3.3638 3.5046 3.5131 3.8993 3.9033 3.9942 3.9959 4.2008 4.2026 9.3626 9.3713 9.6835 9.6850 10.4433 10.4615 10.7712 10.8000 10.9302 10.9366 k = 0.1726 0.5594-0.0000 ( 4934 PWs) bands (ev): -12.9259 -12.9254 -12.6587 -12.6585 -11.6273 -11.6241 -10.7838 -10.7756 -9.3809 -9.3608 -9.3250 -9.2989 -4.4407 -4.4386 -3.8100 -3.8060 -1.7624 -1.7180 -1.4724 -1.4558 -1.1524 -1.1382 -0.6112 -0.5938 0.1702 0.2192 0.6897 0.7130 1.2529 1.2674 1.6864 1.7066 2.1399 2.1497 2.5256 2.5364 2.7420 2.7435 3.3556 3.3587 3.4914 3.4987 3.8972 3.9000 3.9832 3.9841 4.2143 4.2160 9.3507 9.3588 9.6905 9.6917 10.4444 10.4611 10.7879 10.8125 10.9459 10.9489 k = 0.1553 0.5594-0.0000 ( 4929 PWs) bands (ev): -12.9337 -12.9332 -12.6648 -12.6647 -11.5892 -11.5859 -10.8115 -10.8037 -9.3745 -9.3550 -9.3224 -9.2975 -4.4278 -4.4259 -3.8385 -3.8348 -1.7692 -1.7299 -1.4882 -1.4744 -1.1489 -1.1345 -0.5753 -0.5598 0.2104 0.2586 0.6775 0.7022 1.2245 1.2393 1.6522 1.6735 2.1672 2.1744 2.5342 2.5450 2.7589 2.7604 3.3459 3.3500 3.4818 3.4877 3.8903 3.8916 3.9754 3.9768 4.2277 4.2294 9.3407 9.3481 9.6954 9.6963 10.4468 10.4621 10.7986 10.8186 10.9676 10.9683 k = 0.1381 0.5594-0.0000 ( 4931 PWs) bands (ev): -12.9409 -12.9404 -12.6705 -12.6704 -11.5514 -11.5480 -10.8396 -10.8321 -9.3686 -9.3499 -9.3198 -9.2963 -4.4144 -4.4126 -3.8667 -3.8633 -1.7760 -1.7416 -1.5038 -1.4923 -1.1437 -1.1297 -0.5409 -0.5273 0.2503 0.2975 0.6654 0.6917 1.1975 1.2126 1.6173 1.6390 2.1946 2.1999 2.5423 2.5529 2.7758 2.7775 3.3321 3.3371 3.4763 3.4810 3.8779 3.8782 3.9721 3.9743 4.2407 4.2422 9.3325 9.3392 9.6985 9.6993 10.4503 10.4641 10.8054 10.8213 10.9900 10.9936 k = 0.1208 0.5594-0.0000 ( 4934 PWs) bands (ev): -12.9473 -12.9469 -12.6757 -12.6756 -11.5142 -11.5108 -10.8676 -10.8606 -9.3630 -9.3455 -9.3171 -9.2954 -4.4005 -4.3988 -3.8942 -3.8910 -1.7823 -1.7527 -1.5188 -1.5091 -1.1371 -1.1241 -0.5091 -0.4972 0.2893 0.3355 0.6533 0.6811 1.1726 1.1879 1.5827 1.6042 2.2214 2.2250 2.5496 2.5597 2.7927 2.7946 3.3150 3.3206 3.4749 3.4785 3.8612 3.8620 3.9724 3.9750 4.2527 4.2541 9.3259 9.3319 9.7003 9.7008 10.4546 10.4668 10.8101 10.8228 11.0135 11.0188 k = 0.1036 0.5594-0.0000 ( 4935 PWs) bands (ev): -12.9530 -12.9527 -12.6803 -12.6802 -11.4783 -11.4749 -10.8954 -10.8889 -9.3579 -9.3420 -9.3145 -9.2949 -4.3865 -4.3849 -3.9204 -3.9176 -1.7880 -1.7630 -1.5326 -1.5247 -1.1297 -1.1180 -0.4803 -0.4703 0.3274 0.3723 0.6408 0.6702 1.1506 1.1658 1.5496 1.5701 2.2466 2.2490 2.5559 2.5654 2.8090 2.8112 3.2962 3.3020 3.4765 3.4793 3.8429 3.8442 3.9747 3.9773 4.2636 4.2648 9.3207 9.3259 9.7010 9.7014 10.4593 10.4699 10.8138 10.8241 11.0364 11.0424 k = 0.0863 0.5594-0.0000 ( 4932 PWs) bands (ev): -12.9579 -12.9576 -12.6843 -12.6842 -11.4442 -11.4409 -10.9222 -10.9163 -9.3532 -9.3393 -9.3117 -9.2948 -4.3727 -4.3713 -3.9448 -3.9423 -1.7928 -1.7722 -1.5449 -1.5385 -1.1221 -1.1120 -0.4552 -0.4470 0.3642 0.4077 0.6275 0.6585 1.1320 1.1466 1.5190 1.5379 2.2695 2.2711 2.5614 2.5699 2.8246 2.8269 3.2770 3.2826 3.4801 3.4824 3.8248 3.8262 3.9778 3.9802 4.2731 4.2741 9.3168 9.3211 9.7010 9.7013 10.4641 10.4730 10.8172 10.8254 11.0572 11.0633 k = 0.0690 0.5594-0.0000 ( 4941 PWs) bands (ev): -12.9620 -12.9617 -12.6876 -12.6875 -11.4128 -11.4097 -10.9473 -10.9421 -9.3491 -9.3375 -9.3090 -9.2950 -4.3596 -4.3584 -3.9667 -3.9646 -1.7966 -1.7803 -1.5553 -1.5503 -1.1148 -1.1066 -0.4342 -0.4277 0.3993 0.4412 0.6132 0.6453 1.1175 1.1308 1.4920 1.5086 2.2893 2.2905 2.5660 2.5732 2.8388 2.8411 3.2589 3.2640 3.4848 3.4866 3.8080 3.8094 3.9810 3.9830 4.2810 4.2819 9.3139 9.3174 9.7006 9.7008 10.4686 10.4758 10.8203 10.8267 11.0752 11.0806 k = 0.0518 0.5594-0.0000 ( 4948 PWs) bands (ev): -12.9652 -12.9650 -12.6901 -12.6901 -11.3854 -11.3827 -10.9695 -10.9653 -9.3455 -9.3366 -9.3063 -9.2956 -4.3481 -4.3471 -3.9851 -3.9835 -1.7992 -1.7870 -1.5636 -1.5598 -1.1084 -1.1021 -0.4174 -0.4126 0.4324 0.4722 0.5976 0.6303 1.1072 1.1184 1.4699 1.4834 2.3056 2.3065 2.5697 2.5754 2.8511 2.8532 3.2432 3.2475 3.4897 3.4911 3.7936 3.7948 3.9838 3.9855 4.2873 4.2880 9.3119 9.3146 9.7000 9.7002 10.4727 10.4781 10.8231 10.8278 11.0897 11.0942 k = 0.0345 0.5594-0.0000 ( 4960 PWs) bands (ev): -12.9674 -12.9673 -12.6920 -12.6920 -11.3633 -11.3613 -10.9873 -10.9842 -9.3425 -9.3364 -9.3038 -9.2965 -4.3388 -4.3381 -3.9993 -3.9982 -1.8006 -1.7925 -1.5695 -1.5670 -1.1032 -1.0989 -0.4051 -0.4019 0.4631 0.4992 0.5818 0.6134 1.1010 1.1091 1.4538 1.4634 2.3177 2.3184 2.5726 2.5766 2.8608 2.8625 3.2312 3.2343 3.4941 3.4950 3.7826 3.7835 3.9861 3.9872 4.2919 4.2923 9.3108 9.3125 9.6995 9.6996 10.4760 10.4796 10.8255 10.8286 11.1005 11.1036 k = 0.0173 0.5594-0.0000 ( 4962 PWs) bands (ev): -12.9688 -12.9687 -12.6931 -12.6931 -11.3487 -11.3476 -10.9988 -10.9971 -9.3400 -9.3369 -9.3015 -9.2978 -4.3327 -4.3323 -4.0082 -4.0076 -1.8006 -1.7966 -1.5728 -1.5716 -1.0995 -1.0974 -0.3974 -0.3958 0.4903 0.5163 0.5712 0.5949 1.0985 1.1028 1.4447 1.4497 2.3253 2.3256 2.5747 2.5768 2.8672 2.8681 3.2239 3.2255 3.4971 3.4976 3.7757 3.7762 3.9876 3.9882 4.2947 4.2950 9.3103 9.3111 9.6991 9.6991 10.4784 10.4803 10.8273 10.8289 11.1073 11.1090 k = 0.0000 0.5594-0.0000 ( 4956 PWs) bands (ev): -12.9692 -12.9692 -12.6935 -12.6935 -11.3432 -11.3432 -11.0022 -11.0022 -9.3382 -9.3382 -9.2995 -9.2995 -4.3304 -4.3304 -4.0110 -4.0110 -1.7993 -1.7993 -1.5735 -1.5735 -1.0976 -1.0976 -0.3943 -0.3943 0.5114 0.5114 0.5775 0.5775 1.0992 1.0992 1.4433 1.4433 2.3280 2.3280 2.5761 2.5761 2.8698 2.8698 3.2219 3.2219 3.4984 3.4984 3.7735 3.7735 3.9883 3.9883 4.2958 4.2958 9.3104 9.3104 9.6990 9.6990 10.4799 10.4799 10.8285 10.8285 11.1102 11.1102 k = 0.0000 0.5594-0.0000 ( 4956 PWs) bands (ev): -12.9692 -12.9692 -12.6935 -12.6935 -11.3432 -11.3432 -11.0022 -11.0022 -9.3382 -9.3382 -9.2995 -9.2995 -4.3304 -4.3304 -4.0110 -4.0110 -1.7993 -1.7993 -1.5735 -1.5735 -1.0976 -1.0976 -0.3943 -0.3943 0.5114 0.5114 0.5775 0.5775 1.0992 1.0992 1.4433 1.4433 2.3280 2.3280 2.5761 2.5761 2.8698 2.8698 3.2219 3.2219 3.4984 3.4984 3.7735 3.7735 3.9883 3.9883 4.2958 4.2958 9.3104 9.3104 9.6990 9.6990 10.4799 10.4799 10.8285 10.8285 11.1102 11.1102 k = 0.0000 0.5594 0.0173 ( 4962 PWs) bands (ev): -12.9689 -12.9689 -12.6935 -12.6935 -11.3424 -11.3424 -11.0018 -11.0017 -9.3403 -9.3399 -9.3017 -9.3015 -4.3290 -4.3288 -4.0093 -4.0085 -1.7964 -1.7964 -1.5751 -1.5745 -1.0974 -1.0966 -0.4020 -0.3986 0.5134 0.5165 0.5780 0.5784 1.0990 1.0996 1.4443 1.4451 2.3282 2.3289 2.5714 2.5719 2.8717 2.8726 3.2219 3.2224 3.4974 3.4976 3.7744 3.7751 3.9884 3.9886 4.2954 4.2956 9.3075 9.3094 9.6969 9.6972 10.4549 10.4620 10.8484 10.8537 11.1018 11.1062 k = 0.0000 0.5594 0.0346 ( 4962 PWs) bands (ev): -12.9678 -12.9678 -12.6933 -12.6933 -11.3400 -11.3400 -11.0003 -11.0001 -9.3463 -9.3455 -9.3080 -9.3077 -4.3245 -4.3242 -4.0035 -4.0018 -1.7878 -1.7877 -1.5795 -1.5783 -1.0959 -1.0943 -0.4213 -0.4147 0.5225 0.5277 0.5804 0.5804 1.0991 1.1003 1.4481 1.4496 2.3294 2.3309 2.5583 2.5592 2.8782 2.8798 3.2222 3.2232 3.4947 3.4950 3.7776 3.7790 3.9888 3.9893 4.2946 4.2948 9.3009 9.3045 9.6909 9.6914 10.4004 10.4122 10.9028 10.9108 11.0837 11.0913 k = 0.0000 0.5594 0.0519 ( 4966 PWs) bands (ev): -12.9659 -12.9659 -12.6931 -12.6931 -11.3360 -11.3360 -10.9978 -10.9975 -9.3561 -9.3548 -9.3184 -9.3180 -4.3170 -4.3166 -3.9935 -3.9911 -1.7735 -1.7734 -1.5871 -1.5852 -1.0925 -1.0902 -0.4510 -0.4417 0.5377 0.5425 0.5836 0.5860 1.0994 1.1012 1.4545 1.4567 2.3317 2.3340 2.5379 2.5393 2.8880 2.8904 3.2230 3.2245 3.4902 3.4907 3.7829 3.7849 3.9897 3.9903 4.2932 4.2936 9.2908 9.2962 9.6809 9.6814 10.3335 10.3483 10.9732 10.9818 11.0602 11.0697 k = 0.0000 0.5594 0.0692 ( 4956 PWs) bands (ev): -12.9634 -12.9634 -12.6928 -12.6928 -11.3305 -11.3305 -10.9942 -10.9938 -9.3696 -9.3679 -9.3328 -9.3323 -4.3066 -4.3060 -3.9795 -3.9763 -1.7538 -1.7535 -1.5986 -1.5959 -1.0863 -1.0834 -0.4896 -0.4781 0.5566 0.5569 0.5887 0.5979 1.0999 1.1023 1.4631 1.4660 2.3348 2.3378 2.5115 2.5134 2.9003 2.9033 3.2242 3.2261 3.4841 3.4848 3.7900 3.7925 3.9911 3.9919 4.2914 4.2918 9.2777 9.2847 9.6669 9.6672 10.2636 10.2810 11.0276 11.0343 11.0597 11.0645 k = 0.0000 0.5594 0.0864 ( 4954 PWs) bands (ev): -12.9601 -12.9601 -12.6925 -12.6925 -11.3233 -11.3233 -10.9896 -10.9891 -9.3867 -9.3846 -9.3511 -9.3504 -4.2933 -4.2926 -3.9616 -3.9576 -1.7289 -1.7282 -1.6144 -1.6109 -1.0764 -1.0730 -0.5354 -0.5223 0.5666 0.5760 0.5986 0.6180 1.1008 1.1037 1.4737 1.4771 2.3385 2.3423 2.4803 2.4827 2.9140 2.9175 3.2259 3.2282 3.4763 3.4772 3.7983 3.8013 3.9932 3.9942 4.2889 4.2895 9.2622 9.2707 9.6484 9.6486 10.1955 10.2152 11.0020 11.0131 11.1312 11.1395 k = 0.0000 0.5594 0.1037 ( 4952 PWs) bands (ev): -12.9562 -12.9561 -12.6921 -12.6921 -11.3146 -11.3146 -10.9840 -10.9834 -9.4073 -9.4047 -9.3731 -9.3723 -4.2772 -4.2763 -3.9400 -3.9352 -1.6995 -1.6980 -1.6352 -1.6304 -1.0620 -1.0581 -0.5869 -0.5727 0.5738 0.5881 0.6184 0.6438 1.1019 1.1053 1.4857 1.4895 2.3426 2.3469 2.4456 2.4482 2.9284 2.9323 3.2281 3.2308 3.4670 3.4681 3.8072 3.8105 3.9963 3.9974 4.2859 4.2867 9.2450 9.2550 9.6250 9.6260 10.1317 10.1539 10.9738 10.9855 11.2066 11.2147 k = 0.0000 0.5594 0.1210 ( 4952 PWs) bands (ev): -12.9516 -12.9515 -12.6917 -12.6917 -11.3042 -11.3042 -10.9773 -10.9765 -9.4311 -9.4282 -9.3987 -9.3977 -4.2583 -4.2574 -3.9148 -3.9092 -1.6730 -1.6678 -1.6567 -1.6479 -1.0422 -1.0380 -0.6426 -0.6278 0.5800 0.5959 0.6444 0.6720 1.1033 1.1072 1.4986 1.5028 2.3465 2.3512 2.4083 2.4109 2.9430 2.9473 3.2309 3.2338 3.4563 3.4576 3.8161 3.8195 4.0007 4.0018 4.2824 4.2833 9.2271 9.2383 9.5971 9.5992 10.0739 10.0987 10.9458 10.9577 11.2780 11.2856 k = 0.0000 0.5594 0.1383 ( 4950 PWs) bands (ev): -12.9464 -12.9463 -12.6913 -12.6912 -11.2923 -11.2922 -10.9695 -10.9687 -9.4581 -9.4547 -9.4275 -9.4263 -4.2369 -4.2358 -3.8862 -3.8799 -1.6944 -1.6922 -1.6226 -1.6210 -1.0168 -1.0123 -0.7010 -0.6860 0.5864 0.6031 0.6719 0.7007 1.1051 1.1094 1.5118 1.5164 2.3492 2.3513 2.3721 2.3726 2.9576 2.9622 3.2344 3.2374 3.4444 3.4458 3.8242 3.8276 4.0065 4.0076 4.2782 4.2793 9.2091 9.2215 9.5653 9.5685 10.0231 10.0505 10.9182 10.9302 11.3436 11.3508 k = 0.0000 0.5594 0.1556 ( 4944 PWs) bands (ev): -12.9405 -12.9404 -12.6909 -12.6909 -11.2787 -11.2786 -10.9606 -10.9597 -9.4879 -9.4841 -9.4595 -9.4581 -4.2129 -4.2118 -3.8544 -3.8474 -1.7313 -1.7277 -1.5801 -1.5798 -0.9857 -0.9811 -0.7605 -0.7458 0.5932 0.6105 0.6991 0.7289 1.1073 1.1120 1.5248 1.5297 2.3220 2.3277 2.3548 2.3636 2.9720 2.9767 3.2385 3.2416 3.4313 3.4330 3.8309 3.8340 4.0141 4.0151 4.2735 4.2748 9.1919 9.2054 9.5305 9.5348 9.9796 10.0094 10.8913 10.9033 11.4021 11.4089 k = 0.0000 0.5594 0.1729 ( 4940 PWs) bands (ev): -12.9341 -12.9340 -12.6906 -12.6905 -11.2635 -11.2634 -10.9507 -10.9496 -9.5205 -9.5163 -9.4942 -9.4926 -4.1865 -4.1854 -3.8197 -3.8121 -1.7730 -1.7689 -1.5360 -1.5353 -0.9488 -0.9447 -0.8187 -0.8053 0.6006 0.6184 0.7253 0.7557 1.1100 1.1148 1.5369 1.5419 2.2801 2.2857 2.3555 2.3648 2.9860 2.9908 3.2433 3.2463 3.4175 3.4192 3.8356 3.8384 4.0235 4.0242 4.2683 4.2697 9.1763 9.1908 9.4942 9.4994 9.9432 9.9752 10.8651 10.8770 11.4528 11.4595 k = 0.0000 0.5594 0.1902 ( 4940 PWs) bands (ev): -12.9272 -12.9270 -12.6903 -12.6903 -11.2467 -11.2466 -10.9396 -10.9385 -9.5556 -9.5510 -9.5315 -9.5297 -4.1579 -4.1567 -3.7823 -3.7741 -1.8191 -1.8146 -1.4922 -1.4903 -0.9090 -0.9076 -0.8678 -0.8612 0.6086 0.6268 0.7498 0.7806 1.1132 1.1181 1.5473 1.5526 2.2368 2.2423 2.3550 2.3650 2.9994 3.0044 3.2488 3.2516 3.4031 3.4050 3.8381 3.8404 4.0345 4.0349 4.2626 4.2641 9.1632 9.1786 9.4579 9.4638 9.9132 9.9470 10.8393 10.8511 11.4954 11.5023 k = 0.0000 0.5594 0.2075 ( 4936 PWs) bands (ev): -12.9197 -12.9196 -12.6903 -12.6902 -11.2282 -11.2281 -10.9274 -10.9262 -9.5931 -9.5882 -9.5708 -9.5688 -4.1271 -4.1259 -3.7425 -3.7338 -1.8689 -1.8642 -1.4524 -1.4487 -0.9306 -0.9157 -0.8562 -0.8472 0.6173 0.6358 0.7722 0.8032 1.1169 1.1219 1.5554 1.5610 2.1932 2.1986 2.3521 2.3630 3.0121 3.0172 3.2547 3.2571 3.3888 3.3907 3.8382 3.8401 4.0468 4.0470 4.2564 4.2581 9.1531 9.1694 9.4232 9.4296 9.8888 9.9242 10.8140 10.8255 11.5304 11.5377 k = 0.0000 0.5594 0.2248 ( 4942 PWs) bands (ev): -12.9118 -12.9117 -12.6903 -12.6903 -11.2081 -11.2080 -10.9141 -10.9128 -9.6328 -9.6276 -9.6119 -9.6098 -4.0941 -4.0929 -3.7006 -3.6913 -1.9217 -1.9169 -1.4229 -1.4165 -0.9645 -0.9533 -0.8043 -0.7960 0.6264 0.6453 0.7922 0.8231 1.1213 1.1261 1.5604 1.5663 2.1501 2.1554 2.3464 2.3582 3.0241 3.0293 3.2606 3.2624 3.3752 3.3770 3.8360 3.8374 4.0600 4.0600 4.2498 4.2517 9.1466 9.1640 9.3916 9.3984 9.8692 9.9060 10.7889 10.8000 11.5581 11.5663 k = 0.0000 0.5594 0.2421 ( 4932 PWs) bands (ev): -12.9035 -12.9034 -12.6906 -12.6905 -11.1865 -11.1863 -10.8996 -10.8982 -9.6745 -9.6694 -9.6541 -9.6522 -4.0593 -4.0581 -3.6567 -3.6469 -1.9769 -1.9721 -1.4120 -1.4020 -0.9780 -0.9708 -0.7472 -0.7389 0.6361 0.6551 0.8096 0.8402 1.1263 1.1308 1.5615 1.5678 2.1083 2.1133 2.3373 2.3500 3.0353 3.0404 3.2655 3.2664 3.3639 3.3653 3.8316 3.8326 4.0736 4.0738 4.2430 4.2450 9.1444 9.1627 9.3643 9.3713 9.8539 9.8919 10.7638 10.7745 11.5794 11.5886 k = 0.0000 0.5594 0.2593 ( 4930 PWs) bands (ev): -12.8949 -12.8947 -12.6910 -12.6910 -11.1632 -11.1630 -10.8840 -10.8825 -9.7182 -9.7134 -9.6972 -9.6957 -4.0225 -4.0214 -3.6112 -3.6010 -2.0340 -2.0293 -1.4253 -1.4119 -0.9645 -0.9609 -0.6859 -0.6773 0.6462 0.6653 0.8242 0.8542 1.1318 1.1360 1.5577 1.5645 2.0686 2.0732 2.3246 2.3382 3.0455 3.0506 3.2673 3.2677 3.3568 3.3574 3.8253 3.8258 4.0874 4.0876 4.2360 4.2381 9.1468 9.1661 9.3423 9.3494 9.8423 9.8813 10.7384 10.7486 11.5948 11.6052 k = 0.0000 0.5594 0.2766 ( 4926 PWs) bands (ev): -12.8859 -12.8857 -12.6918 -12.6917 -11.1383 -11.1381 -10.8673 -10.8657 -9.7637 -9.7594 -9.7407 -9.7398 -3.9840 -3.9829 -3.5644 -3.5538 -2.0924 -2.0879 -1.4608 -1.4452 -0.9259 -0.9248 -0.6208 -0.6119 0.6566 0.6758 0.8360 0.8653 1.1378 1.1414 1.5483 1.5557 2.0319 2.0360 2.3080 2.3224 3.0546 3.0598 3.2633 3.2652 3.3555 3.3558 3.8172 3.8173 4.1009 4.1012 4.2289 4.2312 9.1540 9.1744 9.3264 9.3335 9.8340 9.8739 10.7125 10.7220 11.6046 11.6166 k = 0.0000 0.5594 0.2939 ( 4926 PWs) bands (ev): -12.8767 -12.8765 -12.6928 -12.6927 -11.1118 -11.1116 -10.8494 -10.8478 -9.8107 -9.8070 -9.7847 -9.7845 -3.9437 -3.9427 -3.5166 -3.5056 -2.1515 -2.1472 -1.5117 -1.4948 -0.8694 -0.8691 -0.5524 -0.5431 0.6671 0.6863 0.8450 0.8733 1.1439 1.1471 1.5324 1.5406 1.9990 2.0024 2.2874 2.3025 3.0626 3.0679 3.2543 3.2574 3.3603 3.3613 3.8073 3.8076 4.1139 4.1142 4.2219 4.2243 9.1662 9.1878 9.3171 9.3242 9.8287 9.8693 10.6857 10.6945 11.6089 11.6226 k = 0.0000 0.5594 0.3112 ( 4920 PWs) bands (ev): -12.8673 -12.8671 -12.6942 -12.6941 -11.0838 -11.0835 -10.8305 -10.8287 -9.8588 -9.8557 -9.8294 -9.8290 -3.9019 -3.9010 -3.4682 -3.4570 -2.2107 -2.2067 -1.5718 -1.5544 -0.8014 -0.8005 -0.4813 -0.4715 0.6776 0.6967 0.8512 0.8785 1.1500 1.1526 1.5097 1.5187 1.9705 1.9731 2.2629 2.2786 3.0695 3.0748 3.2418 3.2457 3.3705 3.3717 3.7960 3.7966 4.1261 4.1264 4.2152 4.2177 9.1835 9.2063 9.3148 9.3218 9.8262 9.8675 10.6577 10.6657 11.6072 11.6226 k = 0.0000 0.5594 0.3285 ( 4920 PWs) bands (ev): -12.8577 -12.8575 -12.6959 -12.6958 -11.0543 -11.0540 -10.8104 -10.8086 -9.9079 -9.9052 -9.8744 -9.8735 -3.8586 -3.8577 -3.4197 -3.4083 -2.2692 -2.2656 -1.6372 -1.6197 -0.7253 -0.7241 -0.4079 -0.3976 0.6880 0.7068 0.8548 0.8808 1.1556 1.1578 1.4802 1.4900 1.9465 1.9484 2.2348 2.2510 3.0753 3.0806 3.2274 3.2320 3.3842 3.3854 3.7836 3.7844 4.1374 4.1376 4.2088 4.2115 9.2057 9.2299 9.3197 9.3264 9.8262 9.8680 10.6281 10.6352 11.5851 11.6013 k = 0.0000 0.5594 0.3458 ( 4924 PWs) bands (ev): -12.8481 -12.8478 -12.6979 -12.6978 -11.0233 -11.0230 -10.7894 -10.7874 -9.9574 -9.9551 -9.9193 -9.9181 -3.8138 -3.8131 -3.3717 -3.3602 -2.3264 -2.3233 -1.7056 -1.6881 -0.6438 -0.6425 -0.3328 -0.3221 0.6978 0.7164 0.8558 0.8806 1.1604 1.1622 1.4444 1.4550 1.9270 1.9280 2.2035 2.2200 3.0799 3.0853 3.2123 3.2173 3.4003 3.4014 3.7703 3.7712 4.1476 4.1477 4.2030 4.2057 9.2325 9.2583 9.3317 9.3380 9.8285 9.8707 10.5964 10.6025 11.5194 11.5456 k = 0.0000 0.5594 0.3631 ( 4932 PWs) bands (ev): -12.8384 -12.8382 -12.7004 -12.7003 -10.9909 -10.9905 -10.7674 -10.7654 -10.0071 -10.0050 -9.9640 -9.9625 -3.7678 -3.7671 -3.3250 -3.3135 -2.3812 -2.3787 -1.7757 -1.7583 -0.5588 -0.5575 -0.2569 -0.2456 0.7070 0.7249 0.8544 0.8777 1.1638 1.1655 1.4035 1.4147 1.9113 1.9117 2.1696 2.1863 3.0834 3.0889 3.1972 3.2025 3.4178 3.4187 3.7562 3.7573 4.1566 4.1566 4.1978 4.2005 9.2636 9.2910 9.3505 9.3562 9.8330 9.8755 10.5622 10.5674 11.4527 11.4797 k = 0.0000 0.5594 0.3804 ( 4926 PWs) bands (ev): -12.8287 -12.8285 -12.7033 -12.7032 -10.9572 -10.9568 -10.7447 -10.7426 -10.0565 -10.0547 -10.0083 -10.0066 -3.7205 -3.7200 -3.2806 -3.2695 -2.4323 -2.4306 -1.8464 -1.8292 -0.4714 -0.4702 -0.1808 -0.1690 0.7149 0.7320 0.8506 0.8724 1.1655 1.1673 1.3589 1.3706 1.8986 1.8990 2.1339 2.1505 3.0860 3.0917 3.1826 3.1881 3.4363 3.4370 3.7416 3.7428 4.1641 4.1643 4.1933 4.1961 9.2984 9.3276 9.3759 9.3806 9.8396 9.8820 10.5251 10.5293 11.3875 11.4151 k = 0.0000 0.5594 0.3977 ( 4922 PWs) bands (ev): -12.8191 -12.8189 -12.7067 -12.7065 -10.9222 -10.9218 -10.7214 -10.7193 -10.1052 -10.1036 -10.0520 -10.0501 -3.6722 -3.6718 -3.2402 -3.2296 -2.4779 -2.4773 -1.9173 -1.9004 -0.3829 -0.3818 -0.1055 -0.0931 0.7213 0.7370 0.8446 0.8646 1.1650 1.1671 1.3124 1.3243 1.8883 1.8893 2.0973 2.1138 3.0879 3.0936 3.1686 3.1744 3.4552 3.4558 3.7266 3.7278 4.1704 4.1707 4.1897 4.1924 9.3362 9.3672 9.4070 9.4103 9.8481 9.8901 10.4847 10.4879 11.3250 11.3536 k = 0.0000 0.5594 0.4149 ( 4920 PWs) bands (ev): -12.8096 -12.8094 -12.7105 -12.7103 -10.8862 -10.8858 -10.6980 -10.6958 -10.1527 -10.1513 -10.0948 -10.0927 -3.6230 -3.6227 -3.2058 -3.1960 -2.5166 -2.5159 -1.9878 -1.9711 -0.2942 -0.2932 -0.0323 -0.0194 0.7254 0.7391 0.8363 0.8543 1.1619 1.1644 1.2661 1.2779 1.8804 1.8819 2.0609 2.0769 3.0891 3.0949 3.1556 3.1616 3.4744 3.4748 3.7113 3.7125 4.1754 4.1758 4.1869 4.1896 9.3762 9.4090 9.4429 9.4443 9.8586 9.8997 10.4406 10.4429 11.2669 11.2967 k = 0.0000 0.5594 0.4322 ( 4920 PWs) bands (ev): -12.8003 -12.8000 -12.7147 -12.7146 -10.8494 -10.8489 -10.6751 -10.6728 -10.1982 -10.1969 -10.1364 -10.1342 -3.5730 -3.5728 -3.1802 -3.1716 -2.5457 -2.5433 -2.0575 -2.0411 -0.2063 -0.2054 0.0374 0.0505 0.7266 0.7377 0.8254 0.8414 1.1561 1.1589 1.2226 1.2337 1.8744 1.8766 2.0258 2.0411 3.0898 3.0958 3.1437 3.1499 3.4935 3.4937 3.6958 3.6970 4.1791 4.1797 4.1850 4.1876 9.4173 9.4520 9.4807 9.4822 9.8715 9.9108 10.3927 10.3942 11.2145 11.2459 k = 0.0000 0.5594 0.4495 ( 4924 PWs) bands (ev): -12.7911 -12.7909 -12.7195 -12.7193 -10.8120 -10.8114 -10.6535 -10.6512 -10.2406 -10.2393 -10.1764 -10.1742 -3.5226 -3.5224 -3.1661 -3.1591 -2.5618 -2.5572 -2.1260 -2.1100 -0.1204 -0.1195 0.1013 0.1145 0.7246 0.7323 0.8117 0.8258 1.1473 1.1498 1.1854 1.1942 1.8703 1.8732 1.9929 2.0073 3.0904 3.0966 3.1330 3.1393 3.5124 3.5125 3.6802 3.6813 4.1812 4.1823 4.1842 4.1866 9.4582 9.4947 9.5174 9.5229 9.8875 9.9238 10.3411 10.3421 11.1693 11.2026 k = 0.0000 0.5594 0.4668 ( 4922 PWs) bands (ev): -12.7823 -12.7821 -12.7247 -12.7245 -10.7744 -10.7737 -10.6349 -10.6327 -10.2782 -10.2769 -10.2145 -10.2122 -3.4720 -3.4719 -3.1655 -3.1602 -2.5627 -2.5559 -2.1930 -2.1773 -0.0379 -0.0370 0.1566 0.1694 0.7196 0.7235 0.7946 0.8075 1.1356 1.1357 1.1587 1.1623 1.8683 1.8719 1.9633 1.9765 3.0911 3.0973 3.1236 3.1300 3.5309 3.5309 3.6645 3.6656 4.1819 4.1835 4.1847 4.1865 9.4975 9.5356 9.5516 9.5624 9.9078 9.9397 10.2864 10.2872 11.1328 11.1682 k = 0.0000 0.5594 0.4841 ( 4926 PWs) bands (ev): -12.7737 -12.7735 -12.7304 -12.7302 -10.7373 -10.7365 -10.6217 -10.6196 -10.3083 -10.3070 -10.2499 -10.2476 -3.4216 -3.4215 -3.1786 -3.1749 -2.5481 -2.5392 -2.2578 -2.2427 0.0392 0.0403 0.1994 0.2110 0.7134 0.7135 0.7744 0.7869 1.1198 1.1219 1.1397 1.1417 1.8684 1.8730 1.9375 1.9494 3.0921 3.0984 3.1155 3.1220 3.5489 3.5491 3.6487 3.6497 4.1822 4.1841 4.1853 4.1869 9.5335 9.5726 9.5799 9.5972 9.9341 9.9602 10.2293 10.2304 11.1063 11.1439 k = 0.0000 0.5594 0.5014 ( 4932 PWs) bands (ev): -12.7655 -12.7653 -12.7365 -12.7363 -10.7017 -10.7007 -10.6172 -10.6153 -10.3278 -10.3263 -10.2815 -10.2793 -3.3720 -3.3718 -3.2037 -3.2013 -2.5198 -2.5091 -2.3200 -2.3054 0.1084 0.1100 0.2246 0.2342 0.7058 0.7101 0.7522 0.7650 1.1093 1.1105 1.1243 1.1286 1.8711 1.8766 1.9160 1.9265 3.0936 3.1000 3.1088 3.1153 3.5664 3.5667 3.6328 3.6336 4.1827 4.1847 4.1853 4.1869 9.5643 9.5989 9.6037 9.6234 9.9681 9.9874 10.1713 10.1733 11.0909 11.1305 k = 0.0000 0.5594 0.5187 ( 4934 PWs) bands (ev): -12.7576 -12.7574 -12.7431 -12.7429 -10.6692 -10.6681 -10.6241 -10.6224 -10.3338 -10.3321 -10.3078 -10.3057 -3.3241 -3.3236 -3.2380 -3.2366 -2.4804 -2.4684 -2.3787 -2.3647 0.1661 0.1688 0.2279 0.2348 0.7052 0.7134 0.7309 0.7434 1.1052 1.1063 1.1132 1.1176 1.8768 1.8834 1.8988 1.9080 3.0958 3.1023 3.1033 3.1098 3.5835 3.5840 3.6167 3.6174 4.1834 4.1849 4.1853 4.1866 9.5880 9.6066 9.6265 9.6376 10.0102 10.0230 10.1139 10.1181 11.0872 11.1159 k = 0.0000 0.5594 0.5360 ( 4936 PWs) bands (ev): -12.7502 -12.7502 -12.7500 -12.7500 -10.6422 -10.6422 -10.6409 -10.6409 -10.3263 -10.3263 -10.3244 -10.3244 -3.2789 -3.2789 -3.2781 -3.2781 -2.4327 -2.4327 -2.4195 -2.4195 0.2075 0.2075 0.2120 0.2120 0.7140 0.7140 0.7251 0.7251 1.1064 1.1064 1.1096 1.1096 1.8859 1.8859 1.8937 1.8937 3.0990 3.0990 3.1055 3.1055 3.6003 3.6003 3.6009 3.6009 4.1842 4.1842 4.1860 4.1860 9.6027 9.6027 9.6384 9.6384 10.0595 10.0595 10.0671 10.0671 11.0956 11.0956 k = 0.0000 0.5594 0.5360 ( 4936 PWs) bands (ev): -12.7502 -12.7502 -12.7500 -12.7500 -10.6422 -10.6422 -10.6409 -10.6409 -10.3263 -10.3263 -10.3244 -10.3244 -3.2789 -3.2789 -3.2781 -3.2781 -2.4327 -2.4327 -2.4195 -2.4195 0.2075 0.2075 0.2120 0.2120 0.7140 0.7140 0.7251 0.7251 1.1064 1.1064 1.1096 1.1096 1.8859 1.8859 1.8937 1.8937 3.0990 3.0990 3.1055 3.1055 3.6003 3.6003 3.6009 3.6009 4.1842 4.1842 4.1860 4.1860 9.6027 9.6027 9.6384 9.6384 10.0595 10.0595 10.0671 10.0671 11.0956 11.0956 k = 0.0173 0.5594 0.5360 ( 4934 PWs) bands (ev): -12.7499 -12.7499 -12.7497 -12.7497 -10.6442 -10.6442 -10.6428 -10.6428 -10.3248 -10.3248 -10.3228 -10.3228 -3.2778 -3.2778 -3.2766 -3.2766 -2.4340 -2.4340 -2.4208 -2.4208 0.2080 0.2080 0.2127 0.2127 0.7121 0.7121 0.7242 0.7242 1.1069 1.1069 1.1125 1.1125 1.8848 1.8848 1.8927 1.8927 3.1006 3.1006 3.1071 3.1071 3.6003 3.6003 3.6012 3.6012 4.1828 4.1828 4.1847 4.1847 9.6008 9.6008 9.6364 9.6364 10.0604 10.0604 10.0691 10.0691 11.0935 11.0935 k = 0.0345 0.5594 0.5360 ( 4928 PWs) bands (ev): -12.7491 -12.7491 -12.7488 -12.7488 -10.6501 -10.6501 -10.6484 -10.6484 -10.3203 -10.3203 -10.3182 -10.3182 -3.2745 -3.2745 -3.2725 -3.2725 -2.4378 -2.4378 -2.4246 -2.4246 0.2097 0.2097 0.2149 0.2149 0.7068 0.7068 0.7213 0.7213 1.1099 1.1099 1.1194 1.1194 1.8815 1.8815 1.8895 1.8895 3.1051 3.1051 3.1116 3.1116 3.6005 3.6005 3.6021 3.6021 4.1786 4.1786 4.1807 4.1807 9.5954 9.5954 9.6304 9.6304 10.0634 10.0634 10.0746 10.0746 11.0872 11.0872 k = 0.0518 0.5594 0.5360 ( 4936 PWs) bands (ev): -12.7477 -12.7477 -12.7474 -12.7474 -10.6595 -10.6595 -10.6574 -10.6574 -10.3132 -10.3132 -10.3109 -10.3109 -3.2688 -3.2688 -3.2660 -3.2660 -2.4440 -2.4440 -2.4308 -2.4308 0.2126 0.2126 0.2185 0.2185 0.6988 0.6988 0.7162 0.7162 1.1160 1.1160 1.1292 1.1292 1.8762 1.8762 1.8844 1.8844 3.1124 3.1124 3.1190 3.1190 3.6011 3.6011 3.6035 3.6035 4.1717 4.1717 4.1740 4.1740 9.5868 9.5868 9.6208 9.6208 10.0689 10.0689 10.0830 10.0830 11.0771 11.0771 k = 0.0690 0.5594 0.5360 ( 4930 PWs) bands (ev): -12.7458 -12.7458 -12.7454 -12.7454 -10.6718 -10.6718 -10.6694 -10.6694 -10.3039 -10.3039 -10.3013 -10.3013 -3.2609 -3.2609 -3.2572 -3.2572 -2.4526 -2.4526 -2.4393 -2.4393 0.2167 0.2167 0.2234 0.2234 0.6886 0.6886 0.7088 0.7088 1.1250 1.1250 1.1414 1.1414 1.8690 1.8690 1.8774 1.8774 3.1224 3.1224 3.1289 3.1289 3.6021 3.6021 3.6052 3.6052 4.1621 4.1621 4.1647 4.1647 9.5752 9.5752 9.6081 9.6081 10.0768 10.0768 10.0937 10.0937 11.0636 11.0636 k = 0.0863 0.5594 0.5360 ( 4928 PWs) bands (ev): -12.7434 -12.7434 -12.7430 -12.7430 -10.6866 -10.6866 -10.6839 -10.6839 -10.2927 -10.2927 -10.2900 -10.2900 -3.2509 -3.2509 -3.2464 -3.2464 -2.4632 -2.4632 -2.4499 -2.4499 0.2219 0.2219 0.2297 0.2297 0.6769 0.6769 0.6994 0.6994 1.1365 1.1365 1.1555 1.1555 1.8601 1.8601 1.8689 1.8689 3.1347 3.1347 3.1412 3.1412 3.6037 3.6037 3.6075 3.6075 4.1499 4.1499 4.1529 4.1529 9.5614 9.5614 9.5928 9.5928 10.0869 10.0869 10.1064 10.1064 11.0473 11.0473 k = 0.1036 0.5594 0.5360 ( 4918 PWs) bands (ev): -12.7405 -12.7405 -12.7400 -12.7400 -10.7034 -10.7034 -10.7005 -10.7005 -10.2802 -10.2802 -10.2774 -10.2774 -3.2392 -3.2392 -3.2338 -3.2338 -2.4757 -2.4757 -2.4623 -2.4623 0.2284 0.2284 0.2372 0.2372 0.6640 0.6640 0.6884 0.6884 1.1499 1.1499 1.1711 1.1711 1.8499 1.8499 1.8590 1.8590 3.1488 3.1488 3.1553 3.1553 3.6058 3.6058 3.6104 3.6104 4.1352 4.1352 4.1386 4.1386 9.5459 9.5459 9.5757 9.5757 10.0990 10.0990 10.1206 10.1206 11.0287 11.0287 k = 0.1208 0.5594 0.5360 ( 4922 PWs) bands (ev): -12.7372 -12.7372 -12.7366 -12.7366 -10.7217 -10.7217 -10.7186 -10.7186 -10.2666 -10.2666 -10.2637 -10.2637 -3.2260 -3.2260 -3.2198 -3.2198 -2.4896 -2.4896 -2.4762 -2.4762 0.2360 0.2360 0.2461 0.2461 0.6502 0.6502 0.6760 0.6760 1.1649 1.1649 1.1876 1.1876 1.8387 1.8387 1.8481 1.8481 3.1644 3.1644 3.1708 3.1708 3.6088 3.6088 3.6140 3.6140 4.1182 4.1182 4.1220 4.1220 9.5291 9.5291 9.5572 9.5572 10.1128 10.1128 10.1362 10.1362 11.0084 11.0084 k = 0.1381 0.5594 0.5360 ( 4924 PWs) bands (ev): -12.7334 -12.7334 -12.7328 -12.7328 -10.7412 -10.7412 -10.7379 -10.7379 -10.2523 -10.2523 -10.2493 -10.2493 -3.2120 -3.2120 -3.2049 -3.2049 -2.5046 -2.5046 -2.4910 -2.4910 0.2449 0.2449 0.2561 0.2561 0.6359 0.6359 0.6625 0.6625 1.1810 1.1810 1.2048 1.2048 1.8266 1.8266 1.8364 1.8364 3.1808 3.1808 3.1872 3.1872 3.6126 3.6126 3.6185 3.6185 4.0990 4.0990 4.1033 4.1033 9.5116 9.5116 9.5381 9.5381 10.1281 10.1281 10.1529 10.1529 10.9868 10.9868 k = 0.1553 0.5594 0.5360 ( 4922 PWs) bands (ev): -12.7293 -12.7293 -12.7287 -12.7287 -10.7615 -10.7615 -10.7582 -10.7582 -10.2375 -10.2375 -10.2345 -10.2345 -3.1976 -3.1976 -3.1897 -3.1897 -2.5199 -2.5199 -2.5061 -2.5061 0.2549 0.2549 0.2674 0.2674 0.6212 0.6212 0.6483 0.6483 1.1976 1.1976 1.2222 1.2222 1.8142 1.8142 1.8243 1.8243 3.1976 3.1976 3.2038 3.2038 3.6175 3.6175 3.6241 3.6241 4.0779 4.0779 4.0826 4.0826 9.4939 9.4939 9.5187 9.5187 10.1446 10.1446 10.1705 10.1705 10.9643 10.9643 k = 0.1726 0.5594 0.5360 ( 4916 PWs) bands (ev): -12.7249 -12.7249 -12.7243 -12.7243 -10.7824 -10.7824 -10.7790 -10.7790 -10.2224 -10.2224 -10.2193 -10.2193 -3.1837 -3.1837 -3.1750 -3.1750 -2.5349 -2.5349 -2.5210 -2.5210 0.2661 0.2661 0.2799 0.2799 0.6062 0.6062 0.6334 0.6334 1.2146 1.2146 1.2395 1.2395 1.8016 1.8016 1.8120 1.8120 3.2141 3.2141 3.2202 3.2202 3.6238 3.6238 3.6310 3.6310 4.0550 4.0550 4.0601 4.0601 9.4763 9.4763 9.4995 9.4995 10.1621 10.1621 10.1888 10.1888 10.9415 10.9415 k = 0.1899 0.5594 0.5360 ( 4914 PWs) bands (ev): -12.7203 -12.7203 -12.7196 -12.7196 -10.8037 -10.8037 -10.8001 -10.8001 -10.2070 -10.2070 -10.2040 -10.2040 -3.1710 -3.1710 -3.1616 -3.1616 -2.5486 -2.5486 -2.5345 -2.5345 0.2784 0.2784 0.2936 0.2936 0.5912 0.5912 0.6181 0.6181 1.2314 1.2314 1.2565 1.2565 1.7892 1.7892 1.7999 1.7999 3.2297 3.2297 3.2357 3.2357 3.6316 3.6316 3.6393 3.6393 4.0306 4.0306 4.0362 4.0362 9.4592 9.4592 9.4810 9.4810 10.1804 10.1804 10.2075 10.2075 10.9188 10.9188 k = 0.2071 0.5594 0.5360 ( 4918 PWs) bands (ev): -12.7155 -12.7155 -12.7148 -12.7148 -10.8250 -10.8250 -10.8214 -10.8214 -10.1916 -10.1916 -10.1885 -10.1885 -3.1607 -3.1607 -3.1507 -3.1507 -2.5601 -2.5601 -2.5458 -2.5458 0.2919 0.2919 0.3085 0.3085 0.5762 0.5762 0.6025 0.6025 1.2478 1.2478 1.2728 1.2728 1.7772 1.7772 1.7881 1.7881 3.2439 3.2439 3.2497 3.2497 3.6413 3.6413 3.6495 3.6495 4.0050 4.0050 4.0111 4.0111 9.4429 9.4429 9.4633 9.4633 10.1993 10.1993 10.2265 10.2265 10.8965 10.8965 k = 0.2244 0.5594 0.5360 ( 4914 PWs) bands (ev): -12.7106 -12.7106 -12.7099 -12.7099 -10.8462 -10.8462 -10.8426 -10.8426 -10.1761 -10.1761 -10.1730 -10.1730 -3.1538 -3.1538 -3.1435 -3.1435 -2.5681 -2.5681 -2.5537 -2.5537 0.3064 0.3064 0.3245 0.3245 0.5612 0.5612 0.5866 0.5866 1.2635 1.2635 1.2881 1.2881 1.7660 1.7660 1.7770 1.7770 3.2561 3.2561 3.2616 3.2616 3.6531 3.6531 3.6616 3.6616 3.9785 3.9785 3.9850 3.9850 9.4275 9.4275 9.4467 9.4467 10.2184 10.2184 10.2454 10.2454 10.8752 10.8752 k = 0.2416 0.5594 0.5360 ( 4926 PWs) bands (ev): -12.7057 -12.7057 -12.7049 -12.7049 -10.8671 -10.8671 -10.8635 -10.8635 -10.1606 -10.1606 -10.1576 -10.1576 -3.1516 -3.1516 -3.1411 -3.1411 -2.5715 -2.5715 -2.5572 -2.5572 0.3220 0.3220 0.3416 0.3416 0.5463 0.5463 0.5706 0.5706 1.2781 1.2781 1.3021 1.3021 1.7559 1.7559 1.7668 1.7668 3.2659 3.2659 3.2712 3.2712 3.6671 3.6671 3.6758 3.6758 3.9514 3.9514 3.9582 3.9582 9.4132 9.4132 9.4314 9.4314 10.2374 10.2374 10.2639 10.2639 10.8555 10.8555 k = 0.2589 0.5594 0.5360 ( 4922 PWs) bands (ev): -12.7009 -12.7009 -12.7001 -12.7001 -10.8875 -10.8875 -10.8840 -10.8840 -10.1452 -10.1452 -10.1422 -10.1422 -3.1550 -3.1550 -3.1445 -3.1445 -2.5695 -2.5695 -2.5552 -2.5552 0.3385 0.3385 0.3599 0.3599 0.5317 0.5317 0.5544 0.5544 1.2913 1.2913 1.3146 1.3146 1.7471 1.7471 1.7578 1.7578 3.2730 3.2730 3.2781 3.2781 3.6833 3.6833 3.6921 3.6921 3.9239 3.9239 3.9311 3.9311 9.4001 9.4001 9.4174 9.4174 10.2559 10.2559 10.2815 10.2815 10.8381 10.8381 k = 0.2762 0.5594 0.5360 ( 4916 PWs) bands (ev): -12.6962 -12.6962 -12.6954 -12.6954 -10.9073 -10.9073 -10.9038 -10.9038 -10.1298 -10.1298 -10.1269 -10.1269 -3.1645 -3.1645 -3.1543 -3.1543 -2.5613 -2.5613 -2.5472 -2.5472 0.3558 0.3558 0.3792 0.3792 0.5173 0.5173 0.5382 0.5382 1.3027 1.3027 1.3251 1.3251 1.7398 1.7398 1.7501 1.7501 3.2773 3.2773 3.2821 3.2821 3.7017 3.7017 3.7106 3.7106 3.8965 3.8965 3.9040 3.9040 9.3881 9.3881 9.4048 9.4048 10.2732 10.2732 10.2977 10.2977 10.8235 10.8235 k = 0.2934 0.5594 0.5360 ( 4918 PWs) bands (ev): -12.6918 -12.6918 -12.6910 -12.6910 -10.9262 -10.9262 -10.9228 -10.9228 -10.1146 -10.1146 -10.1117 -10.1117 -3.1804 -3.1804 -3.1707 -3.1707 -2.5471 -2.5471 -2.5332 -2.5332 0.3736 0.3736 0.3994 0.3994 0.5035 0.5035 0.5221 0.5221 1.3120 1.3120 1.3334 1.3334 1.7345 1.7345 1.7442 1.7442 3.2788 3.2788 3.2834 3.2834 3.7221 3.7221 3.7310 3.7310 3.8693 3.8693 3.8771 3.8771 9.3772 9.3772 9.3935 9.3935 10.2888 10.2888 10.3117 10.3117 10.8127 10.8127 k = 0.3107 0.5594 0.5360 ( 4920 PWs) bands (ev): -12.6878 -12.6878 -12.6870 -12.6870 -10.9442 -10.9442 -10.9408 -10.9408 -10.0995 -10.0995 -10.0967 -10.0967 -3.2023 -3.2023 -3.1931 -3.1931 -2.5272 -2.5272 -2.5135 -2.5135 0.3912 0.3912 0.4205 0.4205 0.4909 0.4909 0.5063 0.5063 1.3187 1.3187 1.3391 1.3391 1.7313 1.7313 1.7403 1.7403 3.2776 3.2776 3.2821 3.2821 3.7442 3.7442 3.7530 3.7530 3.8428 3.8428 3.8507 3.8507 9.3674 9.3674 9.3834 9.3834 10.3018 10.3018 10.3230 10.3230 10.8065 10.8065 k = 0.3280 0.5594 0.5360 ( 4918 PWs) bands (ev): -12.6841 -12.6841 -12.6834 -12.6834 -10.9610 -10.9610 -10.9577 -10.9577 -10.0846 -10.0846 -10.0817 -10.0817 -3.2298 -3.2298 -3.2211 -3.2211 -2.5023 -2.5023 -2.4886 -2.4886 0.4065 0.4065 0.4416 0.4416 0.4805 0.4805 0.4923 0.4923 1.3225 1.3225 1.3419 1.3419 1.7304 1.7304 1.7389 1.7389 3.2741 3.2741 3.2785 3.2785 3.7675 3.7675 3.7764 3.7764 3.8172 3.8172 3.8251 3.8251 9.3586 9.3586 9.3744 9.3744 10.3114 10.3114 10.3310 10.3310 10.8056 10.8056 k = 0.3452 0.5594 0.5360 ( 4920 PWs) bands (ev): -12.6810 -12.6810 -12.6803 -12.6803 -10.9766 -10.9766 -10.9734 -10.9734 -10.0697 -10.0697 -10.0669 -10.0669 -3.2621 -3.2621 -3.2539 -3.2539 -2.4731 -2.4731 -2.4594 -2.4594 0.4154 0.4154 0.4569 0.4569 0.4758 0.4758 0.4870 0.4870 1.3230 1.3230 1.3415 1.3415 1.7320 1.7320 1.7402 1.7402 3.2686 3.2686 3.2730 3.2730 3.7859 3.7859 3.7954 3.7954 3.8013 3.8013 3.8029 3.8029 9.3506 9.3506 9.3664 9.3664 10.3166 10.3166 10.3353 10.3353 10.8101 10.8101 k = 0.3452 0.5594 0.5360 ( 4920 PWs) bands (ev): -12.6810 -12.6810 -12.6803 -12.6803 -10.9766 -10.9766 -10.9734 -10.9734 -10.0697 -10.0697 -10.0669 -10.0669 -3.2621 -3.2621 -3.2539 -3.2539 -2.4731 -2.4731 -2.4594 -2.4594 0.4154 0.4154 0.4569 0.4569 0.4758 0.4758 0.4870 0.4870 1.3230 1.3230 1.3415 1.3415 1.7320 1.7320 1.7402 1.7402 3.2686 3.2686 3.2730 3.2730 3.7859 3.7859 3.7954 3.7954 3.8013 3.8013 3.8029 3.8029 9.3506 9.3506 9.3664 9.3664 10.3166 10.3166 10.3353 10.3353 10.8101 10.8101 k = 0.3361 0.5447 0.5360 ( 4924 PWs) bands (ev): -12.6865 -12.6865 -12.6858 -12.6858 -10.9475 -10.9475 -10.9441 -10.9441 -10.0980 -10.0980 -10.0952 -10.0952 -3.1955 -3.1955 -3.1865 -3.1865 -2.5335 -2.5335 -2.5200 -2.5200 0.4083 0.4083 0.4497 0.4497 0.4679 0.4679 0.4807 0.4807 1.3245 1.3245 1.3443 1.3443 1.7275 1.7275 1.7358 1.7358 3.2801 3.2801 3.2845 3.2845 3.7800 3.7800 3.7862 3.7862 3.8070 3.8070 3.8121 3.8121 9.3639 9.3639 9.3797 9.3797 10.3111 10.3111 10.3309 10.3309 10.8030 10.8030 k = 0.3270 0.5299 0.5360 ( 4920 PWs) bands (ev): -12.6923 -12.6923 -12.6915 -12.6915 -10.9170 -10.9170 -10.9134 -10.9134 -10.1266 -10.1266 -10.1237 -10.1237 -3.1273 -3.1273 -3.1174 -3.1174 -2.5961 -2.5961 -2.5829 -2.5829 0.4015 0.4015 0.4428 0.4428 0.4599 0.4599 0.4740 0.4740 1.3239 1.3239 1.3449 1.3449 1.7252 1.7252 1.7336 1.7336 3.2903 3.2903 3.2948 3.2948 3.7677 3.7677 3.7732 3.7732 3.8210 3.8210 3.8272 3.8272 9.3746 9.3746 9.3902 9.3902 10.3055 10.3055 10.3263 10.3263 10.8011 10.8011 k = 0.3180 0.5152 0.5360 ( 4926 PWs) bands (ev): -12.6984 -12.6984 -12.6976 -12.6976 -10.8851 -10.8851 -10.8814 -10.8814 -10.1553 -10.1553 -10.1524 -10.1524 -3.0579 -3.0579 -3.0471 -3.0471 -2.6609 -2.6609 -2.6480 -2.6480 0.3948 0.3948 0.4361 0.4361 0.4517 0.4517 0.4669 0.4669 1.3214 1.3214 1.3435 1.3435 1.7254 1.7254 1.7338 1.7338 3.2991 3.2991 3.3036 3.3036 3.7564 3.7564 3.7617 3.7617 3.8362 3.8362 3.8429 3.8429 9.3825 9.3825 9.3977 9.3977 10.2991 10.2991 10.3210 10.3210 10.8048 10.8048 k = 0.3089 0.5005 0.5360 ( 4926 PWs) bands (ev): -12.7048 -12.7048 -12.7039 -12.7039 -10.8520 -10.8520 -10.8482 -10.8482 -10.1840 -10.1840 -10.1811 -10.1811 -2.9875 -2.9875 -2.9757 -2.9757 -2.7275 -2.7275 -2.7152 -2.7152 0.3880 0.3880 0.4296 0.4296 0.4433 0.4433 0.4592 0.4592 1.3172 1.3172 1.3402 1.3402 1.7280 1.7280 1.7366 1.7366 3.3065 3.3065 3.3110 3.3110 3.7468 3.7468 3.7519 3.7519 3.8520 3.8520 3.8590 3.8590 9.3873 9.3873 9.4022 9.4022 10.2914 10.2914 10.3142 10.3142 10.8142 10.8142 k = 0.2998 0.4858 0.5360 ( 4930 PWs) bands (ev): -12.7114 -12.7114 -12.7105 -12.7105 -10.8176 -10.8176 -10.8137 -10.8137 -10.2126 -10.2126 -10.2097 -10.2097 -2.9167 -2.9167 -2.9036 -2.9036 -2.7957 -2.7957 -2.7841 -2.7841 0.3809 0.3809 0.4231 0.4231 0.4348 0.4348 0.4510 0.4510 1.3113 1.3113 1.3352 1.3352 1.7334 1.7334 1.7420 1.7420 3.3124 3.3124 3.3168 3.3168 3.7390 3.7390 3.7439 3.7439 3.8681 3.8681 3.8754 3.8754 9.3893 9.3893 9.4036 9.4036 10.2819 10.2819 10.3056 10.3056 10.8295 10.8295 k = 0.2907 0.4711 0.5360 ( 4930 PWs) bands (ev): -12.7183 -12.7183 -12.7173 -12.7173 -10.7821 -10.7821 -10.7780 -10.7780 -10.2409 -10.2409 -10.2380 -10.2380 -2.8702 -2.8702 -2.8554 -2.8554 -2.8406 -2.8406 -2.8302 -2.8302 0.3733 0.3733 0.4163 0.4163 0.4262 0.4262 0.4423 0.4423 1.3043 1.3043 1.3289 1.3289 1.7415 1.7415 1.7502 1.7502 3.3168 3.3168 3.3211 3.3211 3.7331 3.7331 3.7379 3.7379 3.8845 3.8845 3.8920 3.8920 9.3885 9.3885 9.4021 9.4021 10.2701 10.2701 10.2945 10.2945 10.8503 10.8503 k = 0.2816 0.4563 0.5360 ( 4930 PWs) bands (ev): -12.7254 -12.7254 -12.7244 -12.7244 -10.7454 -10.7454 -10.7412 -10.7412 -10.2689 -10.2689 -10.2661 -10.2661 -2.9386 -2.9386 -2.9269 -2.9269 -2.7718 -2.7718 -2.7578 -2.7578 0.3650 0.3650 0.4090 0.4090 0.4174 0.4174 0.4330 0.4330 1.2962 1.2962 1.3215 1.3215 1.7524 1.7524 1.7613 1.7613 3.3196 3.3196 3.3239 3.3239 3.7291 3.7291 3.7338 3.7338 3.9011 3.9011 3.9088 3.9088 9.3851 9.3851 9.3981 9.3981 10.2555 10.2555 10.2805 10.2805 10.8765 10.8765 k = 0.2725 0.4416 0.5360 ( 4932 PWs) bands (ev): -12.7327 -12.7327 -12.7317 -12.7317 -10.7077 -10.7077 -10.7034 -10.7034 -10.2965 -10.2965 -10.2937 -10.2937 -3.0111 -3.0111 -3.0001 -3.0001 -2.7002 -2.7002 -2.6850 -2.6850 0.3559 0.3559 0.4011 0.4011 0.4085 0.4085 0.4234 0.4234 1.2876 1.2876 1.3135 1.3135 1.7661 1.7661 1.7751 1.7751 3.3208 3.3208 3.3250 3.3250 3.7271 3.7271 3.7316 3.7316 3.9176 3.9176 3.9256 3.9256 9.3795 9.3795 9.3918 9.3918 10.2378 10.2378 10.2634 10.2634 10.9075 10.9075 k = 0.2635 0.4269 0.5360 ( 4932 PWs) bands (ev): -12.7402 -12.7402 -12.7392 -12.7392 -10.6691 -10.6691 -10.6647 -10.6647 -10.3235 -10.3235 -10.3208 -10.3208 -3.0847 -3.0847 -3.0743 -3.0743 -2.6287 -2.6287 -2.6125 -2.6125 0.3460 0.3460 0.3925 0.3925 0.3993 0.3993 0.4132 0.4132 1.2788 1.2788 1.3050 1.3050 1.7825 1.7825 1.7918 1.7918 3.3206 3.3206 3.3247 3.3247 3.7270 3.7270 3.7312 3.7312 3.9341 3.9341 3.9422 3.9422 9.3721 9.3721 9.3837 9.3837 10.2169 10.2169 10.2430 10.2430 10.9428 10.9428 k = 0.2544 0.4122 0.5360 ( 4932 PWs) bands (ev): -12.7479 -12.7479 -12.7468 -12.7468 -10.6296 -10.6296 -10.6252 -10.6252 -10.3500 -10.3500 -10.3473 -10.3473 -3.1591 -3.1591 -3.1494 -3.1494 -2.5578 -2.5578 -2.5405 -2.5405 0.3353 0.3353 0.3830 0.3830 0.3897 0.3897 0.4025 0.4025 1.2700 1.2700 1.2966 1.2966 1.8016 1.8016 1.8111 1.8111 3.3190 3.3190 3.3230 3.3230 3.7287 3.7287 3.7326 3.7326 3.9503 3.9503 3.9587 3.9587 9.3632 9.3632 9.3741 9.3741 10.1926 10.1926 10.2191 10.2191 10.9818 10.9818 k = 0.2453 0.3975 0.5360 ( 4924 PWs) bands (ev): -12.7557 -12.7557 -12.7546 -12.7546 -10.5894 -10.5894 -10.5848 -10.5848 -10.3758 -10.3758 -10.3731 -10.3731 -3.2342 -3.2342 -3.2251 -3.2251 -2.4877 -2.4877 -2.4693 -2.4693 0.3240 0.3240 0.3727 0.3727 0.3796 0.3796 0.3914 0.3914 1.2618 1.2618 1.2886 1.2886 1.8233 1.8233 1.8330 1.8330 3.3161 3.3161 3.3199 3.3199 3.7321 3.7321 3.7357 3.7357 3.9663 3.9663 3.9749 3.9749 9.3531 9.3531 9.3634 9.3634 10.1651 10.1651 10.1918 10.1918 11.0237 11.0237 k = 0.2362 0.3827 0.5360 ( 4924 PWs) bands (ev): -12.7636 -12.7636 -12.7626 -12.7626 -10.5485 -10.5485 -10.5439 -10.5439 -10.4008 -10.4008 -10.3983 -10.3983 -3.3097 -3.3097 -3.3012 -3.3012 -2.4185 -2.4185 -2.3991 -2.3991 0.3120 0.3120 0.3614 0.3614 0.3687 0.3687 0.3798 0.3798 1.2543 1.2543 1.2812 1.2812 1.8474 1.8474 1.8573 1.8573 3.3120 3.3120 3.3157 3.3157 3.7370 3.7370 3.7404 3.7404 3.9819 3.9819 3.9906 3.9906 9.3422 9.3422 9.3518 9.3518 10.1344 10.1344 10.1613 10.1613 11.0679 11.0679 k = 0.2271 0.3680 0.5360 ( 4928 PWs) bands (ev): -12.7716 -12.7716 -12.7706 -12.7706 -10.5071 -10.5071 -10.5024 -10.5024 -10.4250 -10.4250 -10.4226 -10.4226 -3.3854 -3.3854 -3.3775 -3.3775 -2.3506 -2.3506 -2.3302 -2.3302 0.2996 0.2996 0.3491 0.3491 0.3570 0.3570 0.3678 0.3678 1.2478 1.2478 1.2747 1.2747 1.8737 1.8737 1.8837 1.8837 3.3068 3.3068 3.3104 3.3104 3.7434 3.7434 3.7464 3.7464 3.9970 3.9970 4.0060 4.0060 9.3307 9.3307 9.3398 9.3398 10.1008 10.1008 10.1277 10.1277 11.1136 11.1136 k = 0.2180 0.3533 0.5360 ( 4920 PWs) bands (ev): -12.7797 -12.7797 -12.7787 -12.7787 -10.4661 -10.4661 -10.4608 -10.4608 -10.4475 -10.4475 -10.4457 -10.4457 -3.4610 -3.4610 -3.4538 -3.4538 -2.2841 -2.2841 -2.2628 -2.2628 0.2868 0.2868 0.3355 0.3355 0.3445 0.3445 0.3557 0.3557 1.2427 1.2427 1.2694 1.2694 1.9018 1.9018 1.9120 1.9120 3.3008 3.3008 3.3043 3.3043 3.7510 3.7510 3.7537 3.7537 4.0116 4.0116 4.0207 4.0207 9.3188 9.3188 9.3273 9.3273 10.0647 10.0647 10.0915 10.0915 11.1600 11.1600 k = 0.2089 0.3386 0.5360 ( 4916 PWs) bands (ev): -12.7878 -12.7878 -12.7868 -12.7868 -10.4717 -10.4717 -10.4691 -10.4691 -10.4222 -10.4222 -10.4178 -10.4178 -3.5365 -3.5365 -3.5298 -3.5298 -2.2192 -2.2192 -2.1971 -2.1971 0.2736 0.2736 0.3205 0.3205 0.3313 0.3313 0.3439 0.3439 1.2389 1.2389 1.2654 1.2654 1.9316 1.9316 1.9420 1.9420 3.2943 3.2943 3.2976 3.2976 3.7598 3.7598 3.7622 3.7622 4.0255 4.0255 4.0348 4.0348 9.3067 9.3067 9.3146 9.3146 10.0263 10.0263 10.0530 10.0530 11.2062 11.2062 k = 0.1999 0.3239 0.5360 ( 4916 PWs) bands (ev): -12.7960 -12.7960 -12.7949 -12.7949 -10.4932 -10.4932 -10.4908 -10.4908 -10.3799 -10.3799 -10.3754 -10.3754 -3.6114 -3.6114 -3.6053 -3.6053 -2.1562 -2.1562 -2.1333 -2.1333 0.2599 0.2599 0.3041 0.3041 0.3177 0.3177 0.3326 0.3326 1.2367 1.2367 1.2628 1.2628 1.9626 1.9626 1.9731 1.9731 3.2873 3.2873 3.2905 3.2905 3.7696 3.7696 3.7716 3.7716 4.0388 4.0388 4.0483 4.0483 9.2943 9.2943 9.3018 9.3018 9.9862 9.9862 10.0125 10.0125 11.2512 11.2512 k = 0.1908 0.3091 0.5360 ( 4908 PWs) bands (ev): -12.8040 -12.8040 -12.8030 -12.8030 -10.5139 -10.5139 -10.5116 -10.5116 -10.3374 -10.3374 -10.3329 -10.3329 -3.6857 -3.6857 -3.6802 -3.6802 -2.0951 -2.0951 -2.0715 -2.0715 0.2458 0.2458 0.2863 0.2863 0.3040 0.3040 0.3219 0.3219 1.2360 1.2360 1.2616 1.2616 1.9945 1.9945 2.0051 2.0051 3.2802 3.2802 3.2834 3.2834 3.7801 3.7801 3.7819 3.7819 4.0514 4.0514 4.0610 4.0610 9.2817 9.2817 9.2888 9.2888 9.9446 9.9446 9.9705 9.9705 11.2942 11.2942 k = 0.1817 0.2944 0.5360 ( 4900 PWs) bands (ev): -12.8121 -12.8121 -12.8110 -12.8110 -10.5337 -10.5337 -10.5315 -10.5315 -10.2950 -10.2950 -10.2905 -10.2905 -3.7590 -3.7590 -3.7540 -3.7540 -2.0362 -2.0362 -2.0120 -2.0120 0.2310 0.2310 0.2673 0.2673 0.2905 0.2905 0.3118 0.3118 1.2368 1.2368 1.2617 1.2617 2.0269 2.0269 2.0374 2.0374 3.2734 3.2734 3.2765 3.2765 3.7914 3.7914 3.7928 3.7928 4.0632 4.0632 4.0729 4.0729 9.2688 9.2688 9.2755 9.2755 9.9020 9.9020 9.9274 9.9274 11.3341 11.3341 k = 0.1726 0.2797 0.5360 ( 4908 PWs) bands (ev): -12.8200 -12.8200 -12.8190 -12.8190 -10.5526 -10.5526 -10.5505 -10.5505 -10.2528 -10.2528 -10.2483 -10.2483 -3.8312 -3.8312 -3.8267 -3.8267 -1.9796 -1.9796 -1.9549 -1.9549 0.2153 0.2153 0.2474 0.2474 0.2778 0.2778 0.3024 0.3024 1.2390 1.2390 1.2632 1.2632 2.0592 2.0592 2.0697 2.0697 3.2671 3.2671 3.2702 3.2702 3.8031 3.8031 3.8043 3.8043 4.0742 4.0742 4.0840 4.0840 9.2557 9.2557 9.2620 9.2620 9.8588 9.8588 9.8836 9.8836 11.3701 11.3701 k = 0.1635 0.2650 0.5360 ( 4910 PWs) bands (ev): -12.8277 -12.8277 -12.8268 -12.8268 -10.5704 -10.5704 -10.5685 -10.5685 -10.2110 -10.2110 -10.2066 -10.2066 -3.9019 -3.9019 -3.8979 -3.8979 -1.9254 -1.9254 -1.9003 -1.9003 0.1987 0.1987 0.2268 0.2268 0.2662 0.2662 0.2938 0.2938 1.2425 1.2425 1.2660 1.2660 2.0910 2.0910 2.1014 2.1014 3.2617 3.2617 3.2649 3.2649 3.8152 3.8152 3.8161 3.8161 4.0844 4.0844 4.0942 4.0942 9.2421 9.2421 9.2481 9.2481 9.8155 9.8155 9.8395 9.8395 11.4015 11.4015 k = 0.1544 0.2503 0.5360 ( 4914 PWs) bands (ev): -12.8353 -12.8353 -12.8344 -12.8344 -10.5873 -10.5873 -10.5855 -10.5855 -10.1698 -10.1698 -10.1654 -10.1654 -3.9710 -3.9710 -3.9675 -3.9675 -1.8737 -1.8737 -1.8484 -1.8484 0.1813 0.1813 0.2058 0.2058 0.2560 0.2560 0.2859 0.2859 1.2472 1.2472 1.2697 1.2697 2.1219 2.1219 2.1319 2.1319 3.2575 3.2575 3.2608 3.2608 3.8275 3.8275 3.8282 3.8282 4.0937 4.0937 4.1036 4.1036 9.2279 9.2279 9.2337 9.2337 9.7723 9.7723 9.7955 9.7955 11.4280 11.4280 k = 0.1454 0.2355 0.5360 ( 4906 PWs) bands (ev): -12.8427 -12.8427 -12.8418 -12.8418 -10.6032 -10.6032 -10.6014 -10.6014 -10.1293 -10.1293 -10.1251 -10.1251 -4.0381 -4.0381 -4.0350 -4.0350 -1.8246 -1.8246 -1.7993 -1.7993 0.1632 0.1632 0.1846 0.1846 0.2472 0.2472 0.2788 0.2788 1.2529 1.2529 1.2744 1.2744 2.1512 2.1512 2.1609 2.1609 3.2549 3.2549 3.2584 3.2584 3.8399 3.8399 3.8403 3.8403 4.1023 4.1023 4.1121 4.1121 9.2133 9.2133 9.2187 9.2187 9.7297 9.7297 9.7520 9.7520 11.4497 11.4497 k = 0.1363 0.2208 0.5360 ( 4906 PWs) bands (ev): -12.8499 -12.8499 -12.8490 -12.8490 -10.6181 -10.6181 -10.6164 -10.6164 -10.0898 -10.0898 -10.0857 -10.0857 -4.1031 -4.1031 -4.1004 -4.1004 -1.7782 -1.7782 -1.7531 -1.7531 0.1447 0.1447 0.1634 0.1634 0.2399 0.2399 0.2725 0.2725 1.2594 1.2594 1.2798 1.2798 2.1786 2.1786 2.1879 2.1879 3.2542 3.2542 3.2579 3.2579 3.8523 3.8523 3.8525 3.8525 4.1099 4.1099 4.1197 4.1197 9.1979 9.1979 9.2032 9.2032 9.6879 9.6879 9.7093 9.7093 11.4671 11.4671 k = 0.1272 0.2061 0.5360 ( 4910 PWs) bands (ev): -12.8567 -12.8567 -12.8559 -12.8559 -10.6320 -10.6320 -10.6304 -10.6304 -10.0514 -10.0514 -10.0474 -10.0474 -4.1655 -4.1655 -4.1632 -4.1632 -1.7346 -1.7346 -1.7099 -1.7099 0.1261 0.1261 0.1426 0.1426 0.2340 0.2340 0.2670 0.2670 1.2665 1.2665 1.2858 1.2858 2.2037 2.2037 2.2123 2.2123 3.2556 3.2556 3.2595 3.2595 3.8644 3.8644 3.8645 3.8645 4.1168 4.1168 4.1265 4.1265 9.1820 9.1820 9.1870 9.1870 9.6474 9.6474 9.6678 9.6678 11.4812 11.4812 k = 0.1181 0.1914 0.5360 ( 4918 PWs) bands (ev): -12.8633 -12.8633 -12.8625 -12.8625 -10.6449 -10.6449 -10.6434 -10.6434 -10.0144 -10.0144 -10.0106 -10.0106 -4.2253 -4.2253 -4.2233 -4.2233 -1.6939 -1.6939 -1.6697 -1.6697 0.1077 0.1077 0.1223 0.1223 0.2294 0.2294 0.2622 0.2622 1.2741 1.2741 1.2922 1.2922 2.2260 2.2260 2.2340 2.2340 3.2592 3.2592 3.2635 3.2635 3.8762 3.8762 3.8763 3.8763 4.1228 4.1228 4.1323 4.1323 9.1654 9.1654 9.1702 9.1702 9.6084 9.6084 9.6277 9.6277 11.4930 11.4930 k = 0.1090 0.1766 0.5360 ( 4912 PWs) bands (ev): -12.8695 -12.8695 -12.8687 -12.8687 -10.6568 -10.6568 -10.6555 -10.6555 -9.9789 -9.9789 -9.9753 -9.9753 -4.2820 -4.2820 -4.2803 -4.2803 -1.6560 -1.6560 -1.6326 -1.6326 0.0898 0.0898 0.1027 0.1027 0.2261 0.2261 0.2582 0.2582 1.2819 1.2819 1.2988 1.2988 2.2455 2.2455 2.2528 2.2528 3.2652 3.2652 3.2697 3.2697 3.8875 3.8875 3.8878 3.8878 4.1280 4.1280 4.1373 4.1373 9.1484 9.1484 9.1530 9.1530 9.5712 9.5712 9.5893 9.5893 11.5036 11.5036 k = 0.0999 0.1619 0.5360 ( 4922 PWs) bands (ev): -12.8753 -12.8753 -12.8746 -12.8746 -10.6677 -10.6677 -10.6665 -10.6665 -9.9453 -9.9453 -9.9419 -9.9419 -4.3355 -4.3355 -4.3341 -4.3341 -1.6211 -1.6211 -1.5987 -1.5987 0.0726 0.0726 0.0840 0.0840 0.2238 0.2238 0.2548 0.2548 1.2898 1.2898 1.3054 1.3054 2.2619 2.2619 2.2684 2.2684 3.2733 3.2733 3.2781 3.2781 3.8984 3.8984 3.8987 3.8987 4.1325 4.1325 4.1415 4.1415 9.1311 9.1311 9.1354 9.1354 9.5361 9.5361 9.5529 9.5529 11.5137 11.5137 k = 0.0908 0.1472 0.5360 ( 4918 PWs) bands (ev): -12.8807 -12.8807 -12.8801 -12.8801 -10.6776 -10.6776 -10.6765 -10.6765 -9.9136 -9.9136 -9.9104 -9.9104 -4.3854 -4.3854 -4.3842 -4.3842 -1.5891 -1.5891 -1.5679 -1.5679 0.0563 0.0563 0.0664 0.0664 0.2225 0.2225 0.2520 0.2520 1.2977 1.2977 1.3120 1.3120 2.2754 2.2754 2.2811 2.2811 3.2835 3.2835 3.2884 3.2884 3.9087 3.9087 3.9091 3.9091 4.1362 4.1362 4.1448 4.1448 9.1137 9.1137 9.1178 9.1178 9.5032 9.5032 9.5188 9.5188 11.5240 11.5240 k = 0.0818 0.1325 0.5360 ( 4906 PWs) bands (ev): -12.8857 -12.8857 -12.8851 -12.8851 -10.6866 -10.6866 -10.6856 -10.6856 -9.8841 -9.8841 -9.8812 -9.8812 -4.4315 -4.4315 -4.4306 -4.4306 -1.5601 -1.5601 -1.5403 -1.5403 0.0412 0.0412 0.0500 0.0500 0.2221 0.2221 0.2498 0.2498 1.3053 1.3053 1.3183 1.3183 2.2861 2.2861 2.2910 2.2910 3.2951 3.2951 3.3002 3.3002 3.9183 3.9183 3.9187 3.9187 4.1393 4.1393 4.1475 4.1475 9.0965 9.0965 9.1003 9.1003 9.4729 9.4729 9.4871 9.4871 11.5348 11.5348 k = 0.0727 0.1178 0.5360 ( 4906 PWs) bands (ev): -12.8903 -12.8903 -12.8897 -12.8897 -10.6945 -10.6945 -10.6937 -10.6937 -9.8570 -9.8570 -9.8544 -9.8544 -4.4736 -4.4736 -4.4728 -4.4728 -1.5340 -1.5340 -1.5158 -1.5158 0.0273 0.0273 0.0350 0.0350 0.2225 0.2225 0.2479 0.2479 1.3126 1.3126 1.3242 1.3242 2.2942 2.2942 2.2984 2.2984 3.3079 3.3079 3.3130 3.3130 3.9271 3.9271 3.9276 3.9276 4.1417 4.1417 4.1494 4.1494 9.0799 9.0799 9.0834 9.0834 9.4454 9.4454 9.4581 9.4581 11.5460 11.5460 k = 0.0636 0.1030 0.5360 ( 4906 PWs) bands (ev): -12.8943 -12.8943 -12.8938 -12.8938 -10.7016 -10.7016 -10.7008 -10.7008 -9.8326 -9.8326 -9.8302 -9.8302 -4.5113 -4.5113 -4.5107 -4.5107 -1.5109 -1.5109 -1.4945 -1.4945 0.0148 0.0148 0.0214 0.0214 0.2235 0.2235 0.2464 0.2464 1.3195 1.3195 1.3296 1.3296 2.3002 2.3002 2.3037 2.3037 3.3213 3.3213 3.3262 3.3262 3.9351 3.9351 3.9356 3.9356 4.1437 4.1437 4.1507 4.1507 9.0641 9.0641 9.0673 9.0673 9.4207 9.4207 9.4320 9.4320 11.5576 11.5576 k = 0.0545 0.0883 0.5360 ( 4906 PWs) bands (ev): -12.8979 -12.8979 -12.8975 -12.8975 -10.7076 -10.7076 -10.7070 -10.7070 -9.8109 -9.8109 -9.8089 -9.8089 -4.5446 -4.5446 -4.5441 -4.5441 -1.4907 -1.4907 -1.4763 -1.4763 0.0038 0.0038 0.0094 0.0094 0.2249 0.2249 0.2451 0.2451 1.3257 1.3257 1.3344 1.3344 2.3043 2.3043 2.3071 2.3071 3.3345 3.3345 3.3391 3.3391 3.9422 3.9422 3.9426 3.9426 4.1452 4.1452 4.1515 4.1515 9.0496 9.0496 9.0524 9.0524 9.3991 9.3991 9.4088 9.4088 11.5692 11.5692 k = 0.0454 0.0736 0.5360 ( 4894 PWs) bands (ev): -12.9009 -12.9009 -12.9006 -12.9006 -10.7127 -10.7127 -10.7122 -10.7122 -9.7923 -9.7923 -9.7905 -9.7905 -4.5731 -4.5731 -4.5727 -4.5727 -1.4734 -1.4734 -1.4612 -1.4612 -0.0056 -0.0056 -0.0010 -0.0010 0.2267 0.2267 0.2439 0.2439 1.3312 1.3312 1.3385 1.3385 2.3070 2.3070 2.3092 2.3092 3.3471 3.3471 3.3512 3.3512 3.9483 3.9483 3.9487 3.9487 4.1464 4.1464 4.1518 4.1518 9.0367 9.0367 9.0390 9.0390 9.3807 9.3807 9.3889 9.3889 11.5804 11.5804 k = 0.0363 0.0589 0.5360 ( 4906 PWs) bands (ev): -12.9034 -12.9034 -12.9031 -12.9031 -10.7169 -10.7169 -10.7164 -10.7164 -9.7767 -9.7767 -9.7753 -9.7753 -4.5966 -4.5966 -4.5964 -4.5964 -1.4591 -1.4591 -1.4491 -1.4491 -0.0133 -0.0133 -0.0097 -0.0097 0.2288 0.2288 0.2428 0.2428 1.3360 1.3360 1.3419 1.3419 2.3086 2.3086 2.3104 2.3104 3.3584 3.3584 3.3619 3.3619 3.9534 3.9534 3.9537 3.9537 4.1473 4.1473 4.1518 4.1518 9.0256 9.0256 9.0276 9.0276 9.3657 9.3657 9.3723 9.3723 11.5906 11.5906 k = 0.0273 0.0442 0.5360 ( 4910 PWs) bands (ev): -12.9053 -12.9053 -12.9051 -12.9051 -10.7201 -10.7201 -10.7198 -10.7198 -9.7645 -9.7645 -9.7634 -9.7634 -4.6151 -4.6151 -4.6150 -4.6150 -1.4476 -1.4476 -1.4401 -1.4401 -0.0193 -0.0193 -0.0166 -0.0166 0.2309 0.2309 0.2415 0.2415 1.3400 1.3400 1.3444 1.3444 2.3096 2.3096 2.3108 2.3108 3.3679 3.3679 3.3707 3.3707 3.9574 3.9574 3.9576 3.9576 4.1481 4.1481 4.1515 4.1515 9.0168 9.0168 9.0182 9.0182 9.3541 9.3541 9.3590 9.3590 11.5993 11.5993 k = 0.0182 0.0294 0.5360 ( 4902 PWs) bands (ev): -12.9067 -12.9067 -12.9066 -12.9066 -10.7224 -10.7224 -10.7222 -10.7222 -9.7556 -9.7556 -9.7548 -9.7548 -4.6284 -4.6284 -4.6283 -4.6283 -1.4391 -1.4391 -1.4340 -1.4340 -0.0235 -0.0235 -0.0217 -0.0217 0.2330 0.2330 0.2402 0.2402 1.3430 1.3430 1.3460 1.3460 2.3101 2.3101 2.3109 2.3109 3.3752 3.3752 3.3772 3.3772 3.9603 3.9603 3.9605 3.9605 4.1487 4.1487 4.1511 4.1511 9.0103 9.0103 9.0113 9.0113 9.3460 9.3460 9.3493 9.3493 11.6061 11.6061 k = 0.0091 0.0147 0.5360 ( 4904 PWs) bands (ev): -12.9075 -12.9075 -12.9075 -12.9075 -10.7237 -10.7237 -10.7236 -10.7236 -9.7501 -9.7501 -9.7497 -9.7497 -4.6365 -4.6365 -4.6364 -4.6364 -1.4335 -1.4335 -1.4309 -1.4309 -0.0258 -0.0258 -0.0249 -0.0249 0.2351 0.2351 0.2387 0.2387 1.3452 1.3452 1.3467 1.3467 2.3104 2.3104 2.3108 2.3108 3.3800 3.3800 3.3809 3.3809 3.9621 3.9621 3.9622 3.9622 4.1493 4.1493 4.1505 4.1505 9.0065 9.0065 9.0070 9.0070 9.3414 9.3414 9.3431 9.3431 11.6106 11.6108 k = 0.0000 0.0000 0.5360 ( 4900 PWs) bands (ev): -12.9078 -12.9078 -12.9078 -12.9078 -10.7241 -10.7241 -10.7241 -10.7241 -9.7482 -9.7482 -9.7482 -9.7482 -4.6391 -4.6391 -4.6391 -4.6391 -1.4307 -1.4307 -1.4307 -1.4307 -0.0263 -0.0263 -0.0263 -0.0263 0.2370 0.2370 0.2370 0.2370 1.3464 1.3464 1.3464 1.3464 2.3106 2.3106 2.3106 2.3106 3.3819 3.3819 3.3819 3.3819 3.9627 3.9627 3.9627 3.9627 4.1499 4.1499 4.1499 4.1499 9.0054 9.0054 9.0054 9.0054 9.3404 9.3404 9.3404 9.3404 11.6125 11.6125 k = 0.0000 0.0000 0.5360 ( 4900 PWs) bands (ev): -12.9078 -12.9078 -12.9078 -12.9078 -10.7241 -10.7241 -10.7241 -10.7241 -9.7482 -9.7482 -9.7482 -9.7482 -4.6391 -4.6391 -4.6391 -4.6391 -1.4307 -1.4307 -1.4307 -1.4307 -0.0263 -0.0263 -0.0263 -0.0263 0.2370 0.2370 0.2370 0.2370 1.3464 1.3464 1.3464 1.3464 2.3106 2.3106 2.3106 2.3106 3.3819 3.3819 3.3819 3.3819 3.9627 3.9627 3.9627 3.9627 4.1499 4.1499 4.1499 4.1499 9.0054 9.0054 9.0054 9.0054 9.3404 9.3404 9.3404 9.3404 11.6125 11.6125 k = 0.0000 0.0000 0.5187 ( 4896 PWs) bands (ev): -12.9290 -12.9290 -12.8870 -12.8870 -10.7599 -10.7599 -10.6868 -10.6868 -9.7518 -9.7518 -9.7451 -9.7451 -4.6380 -4.6380 -4.6366 -4.6366 -1.5654 -1.5654 -1.2979 -1.2979 -0.0651 -0.0651 0.0108 0.0108 0.1934 0.1934 0.2835 0.2835 1.3331 1.3331 1.3534 1.3534 2.3001 2.3001 2.3231 2.3231 3.3724 3.3724 3.3916 3.3916 3.9595 3.9595 3.9658 3.9658 4.1424 4.1424 4.1551 4.1551 8.9752 8.9752 9.0327 9.0327 9.3429 9.3429 9.3493 9.3493 11.5730 11.5730 k = 0.0000 0.0000 0.5014 ( 4904 PWs) bands (ev): -12.9505 -12.9505 -12.8666 -12.8666 -10.7940 -10.7940 -10.6478 -10.6478 -9.7559 -9.7559 -9.7427 -9.7427 -4.6334 -4.6334 -4.6305 -4.6305 -1.7012 -1.7012 -1.1679 -1.1679 -0.1051 -0.1051 0.0449 0.0449 0.1545 0.1545 0.3323 0.3323 1.3139 1.3139 1.3540 1.3540 2.2916 2.2916 2.3375 2.3375 3.3632 3.3632 3.4015 3.4015 3.9562 3.9562 3.9687 3.9687 4.1326 4.1326 4.1577 4.1577 8.9418 8.9418 9.0573 9.0573 9.3568 9.3568 9.3697 9.3697 11.5283 11.5283 k = 0.0000 0.0000 0.4841 ( 4907 PWs) bands (ev): -12.9722 -12.9722 -12.8467 -12.8467 -10.8265 -10.8265 -10.6073 -10.6073 -9.7606 -9.7606 -9.7409 -9.7409 -4.6251 -4.6251 -4.6210 -4.6210 -1.8376 -1.8376 -1.0417 -1.0417 -0.1459 -0.1459 0.0703 0.0703 0.1263 0.1263 0.3828 0.3828 1.2894 1.2894 1.3478 1.3478 2.2850 2.2850 2.3539 2.3539 3.3546 3.3546 3.4113 3.4113 3.9530 3.9530 3.9714 3.9714 4.1206 4.1206 4.1579 4.1579 8.9050 8.9050 9.0796 9.0796 9.3817 9.3817 9.4012 9.4012 11.4787 11.4787 k = 0.0000 0.0000 0.4668 ( 4899 PWs) bands (ev): -12.9940 -12.9940 -12.8274 -12.8274 -10.8574 -10.8574 -10.5653 -10.5653 -9.7658 -9.7658 -9.7396 -9.7396 -4.6133 -4.6133 -4.6079 -4.6079 -1.9742 -1.9742 -0.9211 -0.9211 -0.1872 -0.1872 0.0673 0.0673 0.1297 0.1297 0.4347 0.4347 1.2603 1.2603 1.3351 1.3351 2.2802 2.2802 2.3722 2.3722 3.3466 3.3466 3.4209 3.4209 3.9500 3.9500 3.9739 3.9739 4.1065 4.1065 4.1556 4.1556 8.8645 8.8645 9.0997 9.0997 9.4174 9.4174 9.4438 9.4438 11.4246 11.4246 k = 0.0000 0.0000 0.4495 ( 4907 PWs) bands (ev): -13.0160 -13.0160 -12.8087 -12.8087 -10.8867 -10.8867 -10.5219 -10.5219 -9.7715 -9.7715 -9.7389 -9.7389 -4.5980 -4.5980 -4.5916 -4.5916 -2.1106 -2.1106 -0.8086 -0.8086 -0.2290 -0.2290 0.0495 0.0495 0.1525 0.1525 0.4877 0.4877 1.2275 1.2275 1.3160 1.3160 2.2772 2.2772 2.3924 2.3924 3.3395 3.3395 3.4303 3.4303 3.9471 3.9471 3.9761 3.9761 4.0906 4.0906 4.1508 4.1508 8.8202 8.8202 9.1179 9.1179 9.4634 9.4634 9.4971 9.4971 11.3665 11.3665 k = 0.0000 0.0000 0.4322 ( 4913 PWs) bands (ev): -13.0380 -13.0380 -12.7906 -12.7906 -10.9145 -10.9145 -10.4771 -10.4771 -9.7776 -9.7776 -9.7388 -9.7388 -4.5793 -4.5793 -4.5719 -4.5719 -2.2463 -2.2463 -0.7078 -0.7078 -0.2711 -0.2711 0.0388 0.0388 0.1755 0.1755 0.5416 0.5416 1.1922 1.1922 1.2906 1.2906 2.2760 2.2760 2.4142 2.4142 3.3333 3.3333 3.4392 3.4392 3.9446 3.9446 3.9782 3.9782 4.0730 4.0730 4.1435 4.1435 8.7720 8.7720 9.1344 9.1344 9.5190 9.5190 9.5607 9.5607 11.3050 11.3050 k = 0.0000 0.0000 0.4149 ( 4905 PWs) bands (ev): -13.0598 -13.0598 -12.7731 -12.7731 -10.9407 -10.9407 -10.4310 -10.4310 -9.7841 -9.7841 -9.7391 -9.7391 -4.5572 -4.5572 -4.5491 -4.5491 -2.3810 -2.3810 -0.6235 -0.6235 -0.3132 -0.3132 0.0429 0.0429 0.1946 0.1946 0.5962 0.5962 1.1557 1.1557 1.2594 1.2594 2.2765 2.2765 2.4377 2.4377 3.3283 3.3283 3.4474 3.4474 3.9425 3.9425 3.9801 3.9801 4.0540 4.0540 4.1339 4.1339 8.7198 8.7198 9.1495 9.1495 9.5837 9.5837 9.6340 9.6340 11.2406 11.2406 k = 0.0000 0.0000 0.3977 ( 4917 PWs) bands (ev): -13.0815 -13.0815 -12.7564 -12.7564 -10.9654 -10.9654 -10.3837 -10.3837 -9.7910 -9.7910 -9.7400 -9.7400 -4.5319 -4.5319 -4.5233 -4.5233 -2.5145 -2.5145 -0.5609 -0.5609 -0.3553 -0.3553 0.0671 0.0671 0.2079 0.2079 0.6513 0.6513 1.1195 1.1195 1.2229 1.2229 2.2785 2.2785 2.4625 2.4625 3.3248 3.3248 3.4549 3.4549 3.9409 3.9409 3.9820 3.9820 4.0340 4.0340 4.1221 4.1221 8.6638 8.6638 9.1632 9.1632 9.6564 9.6564 9.7164 9.7164 11.1736 11.1736 k = 0.0000 0.0000 0.3804 ( 4933 PWs) bands (ev): -13.1030 -13.1030 -12.7404 -12.7404 -10.9886 -10.9886 -10.3354 -10.3354 -9.7981 -9.7981 -9.7414 -9.7414 -4.5036 -4.5036 -4.4947 -4.4947 -2.6462 -2.6462 -0.5225 -0.5225 -0.3970 -0.3970 0.1137 0.1137 0.2142 0.2142 0.7066 0.7066 1.0855 1.0855 1.1815 1.1815 2.2819 2.2819 2.4886 2.4886 3.3229 3.3229 3.4613 3.4613 3.9397 3.9397 3.9837 3.9837 4.0133 4.0133 4.1081 4.1081 8.6039 8.6039 9.1757 9.1757 9.7364 9.7364 9.8074 9.8074 11.1047 11.1047 k = 0.0000 0.0000 0.3631 ( 4933 PWs) bands (ev): -13.1241 -13.1241 -12.7251 -12.7251 -11.0105 -11.0105 -10.2862 -10.2862 -9.8055 -9.8055 -9.7431 -9.7431 -4.4723 -4.4723 -4.4634 -4.4634 -2.7760 -2.7760 -0.5066 -0.5066 -0.4379 -0.4379 0.1783 0.1783 0.2139 0.2139 0.7620 0.7620 1.0554 1.0554 1.1359 1.1359 2.2868 2.2868 2.5154 2.5154 3.3230 3.3230 3.4665 3.4665 3.9389 3.9389 3.9842 3.9842 3.9935 3.9935 4.0922 4.0922 8.5405 8.5405 9.1873 9.1873 9.8224 9.8224 9.9062 9.9062 11.0343 11.0343 k = 0.0000 0.0000 0.3458 ( 4937 PWs) bands (ev): -13.1448 -13.1448 -12.7106 -12.7106 -11.0309 -11.0309 -10.2364 -10.2364 -9.8130 -9.8130 -9.7453 -9.7453 -4.4382 -4.4382 -4.4297 -4.4297 -2.9036 -2.9036 -0.5103 -0.5103 -0.4753 -0.4753 0.1960 0.1960 0.2653 0.2653 0.8172 0.8172 1.0307 1.0307 1.0868 1.0868 2.2928 2.2928 2.5427 2.5427 3.3253 3.3253 3.4702 3.4702 3.9385 3.9385 3.9695 3.9695 3.9893 3.9893 4.0746 4.0746 8.4737 8.4737 9.1981 9.1981 9.9133 9.9133 10.0123 10.0123 10.9627 10.9627 k = 0.0000 0.0000 0.3285 ( 4945 PWs) bands (ev): -13.1651 -13.1651 -12.6969 -12.6969 -11.0500 -11.0500 -10.1860 -10.1860 -9.8207 -9.8207 -9.7478 -9.7478 -4.4016 -4.4016 -4.3937 -4.3937 -3.0285 -3.0285 -0.5353 -0.5353 -0.5018 -0.5018 0.1741 0.1741 0.3546 0.3546 0.8719 0.8719 1.0127 1.0127 1.0350 1.0350 2.3000 2.3000 2.5701 2.5701 3.3302 3.3302 3.4721 3.4721 3.9371 3.9371 3.9505 3.9505 3.9912 3.9912 4.0555 4.0555 8.4039 8.4039 9.2081 9.2081 10.0074 10.0074 10.1248 10.1248 10.8904 10.8904 k = 0.0000 0.0000 0.3112 ( 4935 PWs) bands (ev): -13.1848 -13.1848 -12.6839 -12.6839 -11.0679 -11.0679 -10.1352 -10.1352 -9.8283 -9.8283 -9.7505 -9.7505 -4.3627 -4.3627 -4.3558 -4.3558 -3.1504 -3.1504 -0.5730 -0.5730 -0.5220 -0.5220 0.1410 0.1410 0.4488 0.4488 0.9246 0.9246 0.9820 0.9820 1.0023 1.0023 2.3082 2.3082 2.5970 2.5970 3.3379 3.3379 3.4718 3.4718 3.9256 3.9256 3.9426 3.9426 3.9937 3.9937 4.0352 4.0352 8.3314 8.3314 9.2175 9.2175 10.1030 10.1030 10.2430 10.2430 10.8178 10.8178 k = 0.0000 0.0000 0.2939 ( 4931 PWs) bands (ev): -13.2038 -13.2038 -12.6717 -12.6717 -11.0845 -11.0845 -10.0845 -10.0845 -9.8360 -9.8360 -9.7535 -9.7535 -4.3218 -4.3218 -4.3161 -4.3161 -3.2690 -3.2690 -0.6134 -0.6134 -0.5428 -0.5428 0.0983 0.0983 0.5444 0.5444 0.9221 0.9221 0.9776 0.9776 1.0028 1.0028 2.3172 2.3172 2.6229 2.6229 3.3487 3.3487 3.4692 3.4692 3.9077 3.9077 3.9428 3.9428 3.9964 3.9964 4.0141 4.0141 8.2568 8.2568 9.2264 9.2264 10.1978 10.1978 10.3662 10.3662 10.7454 10.7454 k = 0.0000 0.0000 0.2766 ( 4915 PWs) bands (ev): -13.2221 -13.2221 -12.6603 -12.6603 -11.0999 -11.0999 -10.0339 -10.0339 -9.8436 -9.8436 -9.7567 -9.7567 -4.2791 -4.2791 -4.2750 -4.2750 -3.3840 -3.3840 -0.6544 -0.6544 -0.5648 -0.5648 0.0474 0.0474 0.6389 0.6389 0.8673 0.8673 0.9933 0.9933 1.0402 1.0402 2.3269 2.3269 2.6474 2.6474 3.3626 3.3626 3.4639 3.4639 3.8908 3.8908 3.9441 3.9441 3.9912 3.9913 4.0007 4.0007 8.1806 8.1806 9.2349 9.2349 10.2889 10.2889 10.4936 10.4936 10.6737 10.6737 k = 0.0000 0.0000 0.2593 ( 4923 PWs) bands (ev): -13.2397 -13.2397 -12.6496 -12.6496 -11.1141 -11.1141 -9.9838 -9.9838 -9.8510 -9.8510 -9.7600 -9.7600 -4.2352 -4.2352 -4.2326 -4.2326 -3.4950 -3.4950 -0.6953 -0.6953 -0.5873 -0.5873 -0.0102 -0.0102 0.7291 0.7291 0.8135 0.8135 1.0005 1.0005 1.0908 1.0908 2.3371 2.3371 2.6700 2.6700 3.3797 3.3797 3.4559 3.4559 3.8757 3.8757 3.9458 3.9458 3.9700 3.9700 4.0037 4.0037 8.1031 8.1031 9.2431 9.2431 10.3727 10.3727 10.6003 10.6003 10.6271 10.6271 k = 0.0000 0.0000 0.2421 ( 4921 PWs) bands (ev): -13.2564 -13.2564 -12.6397 -12.6397 -11.1272 -11.1272 -9.9345 -9.9345 -9.8582 -9.8582 -9.7633 -9.7633 -4.1908 -4.1908 -4.1890 -4.1890 -3.6016 -3.6016 -0.7359 -0.7359 -0.6096 -0.6096 -0.0725 -0.0725 0.7484 0.7484 0.8280 0.8280 1.0103 1.0103 1.1415 1.1415 2.3477 2.3477 2.6902 2.6902 3.3995 3.3995 3.4453 3.4453 3.8629 3.8629 3.9461 3.9461 3.9506 3.9506 4.0075 4.0075 8.0252 8.0252 9.2511 9.2511 10.4447 10.4447 10.5336 10.5336 10.7588 10.7588 k = 0.0000 0.0000 0.2248 ( 4917 PWs) bands (ev): -13.2722 -13.2722 -12.6305 -12.6305 -11.1392 -11.1392 -9.8870 -9.8870 -9.8645 -9.8645 -9.7667 -9.7667 -4.1471 -4.1471 -4.1435 -4.1435 -3.7034 -3.7034 -0.7761 -0.7761 -0.6313 -0.6313 -0.1381 -0.1381 0.6964 0.6964 0.9108 0.9108 1.0225 1.0225 1.1911 1.1911 2.3585 2.3585 2.7078 2.7078 3.4192 3.4192 3.4345 3.4345 3.8525 3.8525 3.9282 3.9282 3.9506 3.9506 4.0115 4.0115 7.9474 7.9474 9.2588 9.2588 10.4610 10.4610 10.5073 10.5073 10.8943 10.8943 k = 0.0000 0.0000 0.2075 ( 4913 PWs) bands (ev): -13.2871 -13.2871 -12.6221 -12.6221 -11.1502 -11.1502 -9.8731 -9.8731 -9.8384 -9.8384 -9.7699 -9.7699 -4.1039 -4.1039 -4.0976 -4.0976 -3.8000 -3.8000 -0.8156 -0.8156 -0.6521 -0.6521 -0.2053 -0.2053 0.6438 0.6438 0.9901 0.9901 1.0378 1.0378 1.2390 1.2390 2.3694 2.3694 2.7227 2.7227 3.4134 3.4134 3.4483 3.4483 3.8444 3.8444 3.9102 3.9102 3.9529 3.9529 4.0157 4.0157 7.8703 7.8703 9.2665 9.2665 10.3977 10.3977 10.5449 10.5449 11.0309 11.0309 k = 0.0000 0.0000 0.1902 ( 4913 PWs) bands (ev): -13.3010 -13.3010 -12.6144 -12.6144 -11.1602 -11.1602 -9.8791 -9.8791 -9.7946 -9.7946 -9.7723 -9.7723 -4.0613 -4.0613 -4.0518 -4.0518 -3.8910 -3.8910 -0.8542 -0.8542 -0.6718 -0.6718 -0.2728 -0.2728 0.5932 0.5932 1.0426 1.0426 1.0763 1.0763 1.2850 1.2850 2.3801 2.3801 2.7350 2.7350 3.3961 3.3961 3.4717 3.4717 3.8384 3.8384 3.8952 3.8952 3.9554 3.9554 4.0200 4.0200 7.7948 7.7948 9.2741 9.2741 10.3351 10.3351 10.5664 10.5664 11.1679 11.1679 k = 0.0000 0.0000 0.1729 ( 4921 PWs) bands (ev): -13.3138 -13.3138 -12.6074 -12.6074 -11.1692 -11.1692 -9.8850 -9.8850 -9.7778 -9.7778 -9.7493 -9.7493 -4.0199 -4.0199 -4.0072 -4.0072 -3.9756 -3.9756 -0.8917 -0.8917 -0.6902 -0.6902 -0.3394 -0.3394 0.5454 0.5454 1.0603 1.0603 1.1445 1.1445 1.3288 1.3288 2.3906 2.3906 2.7448 2.7448 3.3770 3.3770 3.4943 3.4943 3.8343 3.8343 3.8843 3.8843 3.9578 3.9578 4.0244 4.0244 7.7217 7.7217 9.2816 9.2816 10.2754 10.2754 10.5723 10.5723 11.3042 11.3042 k = 0.0000 0.0000 0.1556 ( 4927 PWs) bands (ev): -13.3256 -13.3256 -12.6011 -12.6011 -11.1773 -11.1773 -9.8906 -9.8906 -9.7802 -9.7802 -9.7095 -9.7095 -4.0552 -4.0552 -3.9794 -3.9794 -3.9630 -3.9630 -0.9276 -0.9276 -0.7071 -0.7071 -0.4038 -0.4038 0.5010 0.5010 1.0749 1.0749 1.2103 1.2103 1.3700 1.3700 2.4006 2.4006 2.7523 2.7523 3.3571 3.3571 3.5139 3.5139 3.8316 3.8316 3.8787 3.8787 3.9601 3.9601 4.0288 4.0288 7.6516 7.6516 9.2891 9.2891 10.2191 10.2191 10.5666 10.5666 11.4388 11.4388 k = 0.0000 0.0000 0.1383 ( 4925 PWs) bands (ev): -13.3362 -13.3362 -12.5955 -12.5955 -11.1844 -11.1844 -9.8957 -9.8957 -9.7828 -9.7828 -9.6721 -9.6721 -4.1269 -4.1269 -3.9415 -3.9415 -3.9215 -3.9215 -0.9616 -0.9616 -0.7225 -0.7225 -0.4650 -0.4650 0.4603 0.4603 1.0883 1.0883 1.2706 1.2706 1.4084 1.4084 2.4100 2.4100 2.7578 2.7578 3.3370 3.3370 3.5289 3.5289 3.8302 3.8302 3.8791 3.8791 3.9624 3.9624 4.0330 4.0330 7.5855 7.5855 9.2965 9.2965 10.1668 10.1668 10.5532 10.5532 11.5706 11.5706 k = 0.0000 0.0000 0.1210 ( 4927 PWs) bands (ev): -13.3456 -13.3456 -12.5906 -12.5906 -11.1907 -11.1907 -9.9002 -9.9002 -9.7853 -9.7853 -9.6379 -9.6379 -4.1914 -4.1914 -3.9062 -3.9062 -3.8826 -3.8826 -0.9934 -0.9934 -0.7363 -0.7363 -0.5219 -0.5219 0.4237 0.4237 1.1005 1.1005 1.3248 1.3248 1.4436 1.4436 2.4187 2.4187 2.7616 2.7616 3.3175 3.3175 3.5388 3.5388 3.8295 3.8295 3.8856 3.8856 3.9645 3.9645 4.0371 4.0371 7.5243 7.5243 9.3038 9.3038 10.1190 10.1190 10.5356 10.5356 11.6983 11.6983 k = 0.0000 0.0000 0.1037 ( 4923 PWs) bands (ev): -13.3539 -13.3539 -12.5864 -12.5864 -11.1960 -11.1960 -9.9043 -9.9043 -9.7876 -9.7876 -9.6073 -9.6073 -4.2483 -4.2483 -3.8741 -3.8741 -3.8469 -3.8469 -1.0223 -1.0223 -0.7483 -0.7483 -0.5735 -0.5735 0.3915 0.3915 1.1116 1.1116 1.3726 1.3726 1.4752 1.4752 2.4266 2.4266 2.7640 2.7640 3.2991 3.2991 3.5437 3.5437 3.8294 3.8294 3.8969 3.8969 3.9665 3.9665 4.0408 4.0408 7.4688 7.4688 9.3108 9.3108 10.0760 10.0760 10.5165 10.5165 11.8201 11.8201 k = 0.0000 0.0000 0.0864 ( 4925 PWs) bands (ev): -13.3609 -13.3609 -12.5828 -12.5828 -11.2006 -11.2006 -9.9078 -9.9078 -9.7896 -9.7896 -9.5807 -9.5807 -4.2971 -4.2971 -3.8457 -3.8457 -3.8153 -3.8153 -1.0479 -1.0479 -0.7587 -0.7587 -0.6189 -0.6189 0.3639 0.3639 1.1211 1.1211 1.4137 1.4137 1.5028 1.5028 2.4334 2.4334 2.7654 2.7654 3.2825 3.2825 3.5448 3.5448 3.8297 3.8297 3.9112 3.9112 3.9682 3.9682 4.0441 4.0441 7.4200 7.4200 9.3173 9.3173 10.0385 10.0385 10.4979 10.4979 11.9340 11.9340 k = 0.0000 0.0000 0.0692 ( 4935 PWs) bands (ev): -13.3667 -13.3667 -12.5799 -12.5799 -11.2042 -11.2042 -9.9106 -9.9106 -9.7912 -9.7912 -9.5585 -9.5585 -4.3376 -4.3376 -3.8217 -3.8217 -3.7884 -3.7884 -1.0697 -1.0697 -0.7674 -0.7674 -0.6572 -0.6572 0.3411 0.3411 1.1291 1.1291 1.4476 1.4476 1.5262 1.5262 2.4392 2.4392 2.7661 2.7661 3.2680 3.2680 3.5434 3.5434 3.8302 3.8302 3.9262 3.9262 3.9697 3.9697 4.0469 4.0469 7.3786 7.3786 9.3232 9.3232 10.0069 10.0069 10.4812 10.4812 12.0372 12.0372 k = 0.0000 0.0000 0.0519 ( 4923 PWs) bands (ev): -13.3712 -13.3712 -12.5777 -12.5777 -11.2071 -11.2071 -9.9129 -9.9129 -9.7925 -9.7925 -9.5409 -9.5409 -4.3694 -4.3694 -3.8024 -3.8024 -3.7667 -3.7667 -1.0873 -1.0873 -0.7743 -0.7743 -0.6877 -0.6877 0.3232 0.3232 1.1355 1.1355 1.4741 1.4741 1.5449 1.5449 2.4438 2.4438 2.7663 2.7663 3.2563 3.2563 3.5410 3.5410 3.8308 3.8308 3.9401 3.9401 3.9711 3.9711 4.0492 4.0492 7.3456 7.3456 9.3282 9.3282 9.9816 9.9816 10.4673 10.4673 12.1258 12.1258 k = 0.0000 0.0000 0.0346 ( 4927 PWs) bands (ev): -13.3744 -13.3744 -12.5761 -12.5761 -11.2091 -11.2091 -9.9145 -9.9145 -9.7935 -9.7935 -9.5282 -9.5282 -4.3923 -4.3923 -3.7883 -3.7883 -3.7508 -3.7508 -1.1001 -1.1001 -0.7794 -0.7794 -0.7098 -0.7098 0.3104 0.3104 1.1400 1.1400 1.4932 1.4932 1.5586 1.5586 2.4471 2.4471 2.7663 2.7663 3.2477 3.2477 3.5384 3.5384 3.8313 3.8313 3.9509 3.9509 3.9723 3.9723 4.0508 4.0508 7.3214 7.3214 9.3320 9.3320 9.9632 9.9632 10.4570 10.4570 12.1950 12.1950 k = 0.0000 0.0000 0.0173 ( 4923 PWs) bands (ev): -13.3763 -13.3763 -12.5751 -12.5751 -11.2103 -11.2103 -9.9155 -9.9155 -9.7940 -9.7940 -9.5204 -9.5204 -4.4062 -4.4062 -3.7797 -3.7797 -3.7411 -3.7411 -1.1080 -1.1080 -0.7826 -0.7826 -0.7231 -0.7231 0.3027 0.3027 1.1428 1.1428 1.5047 1.5047 1.5669 1.5669 2.4491 2.4491 2.7662 2.7662 3.2424 3.2424 3.5366 3.5366 3.8316 3.8316 3.9576 3.9576 3.9733 3.9733 4.0519 4.0519 7.3067 7.3067 9.3343 9.3343 9.9520 9.9520 10.4506 10.4506 12.2390 12.2390 k = 0.0000 0.0000 0.0000 ( 4925 PWs) bands (ev): -13.3770 -13.3770 -12.5748 -12.5748 -11.2107 -11.2107 -9.9158 -9.9158 -9.7942 -9.7942 -9.5178 -9.5178 -4.4108 -4.4108 -3.7768 -3.7768 -3.7378 -3.7378 -1.1106 -1.1106 -0.7838 -0.7838 -0.7276 -0.7276 0.3001 0.3001 1.1437 1.1437 1.5085 1.5085 1.5698 1.5698 2.4498 2.4498 2.7661 2.7661 3.2406 3.2406 3.5360 3.5360 3.8317 3.8317 3.9598 3.9598 3.9738 3.9738 4.0522 4.0522 7.3018 7.3018 9.3352 9.3352 9.9482 9.9482 10.4485 10.4485 12.2540 12.2540 k = 0.0000 0.0000 0.0000 ( 4925 PWs) bands (ev): -13.3770 -13.3770 -12.5748 -12.5748 -11.2107 -11.2107 -9.9158 -9.9158 -9.7942 -9.7942 -9.5178 -9.5178 -4.4108 -4.4108 -3.7768 -3.7768 -3.7378 -3.7378 -1.1106 -1.1106 -0.7838 -0.7838 -0.7276 -0.7276 0.3001 0.3001 1.1437 1.1437 1.5085 1.5085 1.5698 1.5698 2.4498 2.4498 2.7661 2.7661 3.2406 3.2406 3.5360 3.5360 3.8317 3.8317 3.9598 3.9598 3.9738 3.9738 4.0522 4.0522 7.3018 7.3018 9.3352 9.3352 9.9482 9.9482 10.4485 10.4485 12.2540 12.2540 k =-0.0147 0.0091 0.0000 ( 4913 PWs) bands (ev): -13.3762 -13.3762 -12.5749 -12.5748 -11.2125 -11.2123 -9.9159 -9.9156 -9.7946 -9.7939 -9.5183 -9.5171 -4.4121 -4.4117 -3.7752 -3.7747 -3.7363 -3.7353 -1.1118 -1.1102 -0.7826 -0.7819 -0.7290 -0.7273 0.2992 0.2996 1.1375 1.1413 1.5086 1.5105 1.5708 1.5716 2.4505 2.4526 2.7639 2.7653 3.2421 3.2424 3.5362 3.5363 3.8314 3.8314 3.9550 3.9620 3.9682 3.9747 4.0508 4.0510 7.3061 7.3063 9.3336 9.3373 9.9499 9.9500 10.4489 10.4516 12.2404 12.2519 k =-0.0294 0.0182 0.0000 ( 4919 PWs) bands (ev): -13.3738 -13.3738 -12.5751 -12.5748 -11.2176 -11.2173 -9.9157 -9.9152 -9.7949 -9.7937 -9.5185 -9.5162 -4.4155 -4.4149 -3.7697 -3.7687 -3.7309 -3.7289 -1.1137 -1.1106 -0.7785 -0.7770 -0.7317 -0.7281 0.2967 0.2977 1.1229 1.1303 1.5106 1.5144 1.5746 1.5762 2.4547 2.4586 2.7585 2.7613 3.2470 3.2475 3.5368 3.5371 3.8305 3.8306 3.9444 3.9537 3.9658 3.9741 4.0469 4.0473 7.3190 7.3196 9.3327 9.3399 9.9550 9.9552 10.4528 10.4581 12.2137 12.2325 k =-0.0441 0.0272 0.0000 ( 4931 PWs) bands (ev): -13.3698 -13.3698 -12.5755 -12.5751 -11.2260 -11.2256 -9.9154 -9.9146 -9.7952 -9.7934 -9.5184 -9.5150 -4.4210 -4.4201 -3.7604 -3.7589 -3.7218 -3.7188 -1.1164 -1.1117 -0.7718 -0.7696 -0.7351 -0.7298 0.2928 0.2942 1.1005 1.1113 1.5146 1.5201 1.5812 1.5835 2.4618 2.4675 2.7499 2.7541 3.2552 3.2560 3.5380 3.5385 3.8290 3.8293 3.9259 3.9337 3.9684 3.9748 4.0406 4.0412 7.3405 7.3413 9.3323 9.3431 9.9635 9.9638 10.4601 10.4679 12.1768 12.1993 k =-0.0588 0.0363 0.0000 ( 4937 PWs) bands (ev): -13.3643 -13.3643 -12.5759 -12.5754 -11.2377 -11.2372 -9.9149 -9.9138 -9.7955 -9.7931 -9.5182 -9.5136 -4.4283 -4.4272 -3.7473 -3.7453 -3.7091 -3.7052 -1.1197 -1.1136 -0.7635 -0.7609 -0.7380 -0.7313 0.2875 0.2894 1.0708 1.0849 1.5205 1.5276 1.5905 1.5933 2.4714 2.4785 2.7380 2.7436 3.2669 3.2678 3.5396 3.5403 3.8269 3.8274 3.8998 3.9065 3.9718 3.9770 4.0319 4.0326 7.3699 7.3709 9.3327 9.3468 9.9757 9.9760 10.4705 10.4805 12.1323 12.1565 k =-0.0735 0.0454 0.0000 ( 4949 PWs) bands (ev): -13.3572 -13.3571 -12.5765 -12.5758 -11.2525 -11.2519 -9.9143 -9.9129 -9.7957 -9.7927 -9.5177 -9.5121 -4.4371 -4.4358 -3.7307 -3.7282 -3.6931 -3.6884 -1.1235 -1.1161 -0.7573 -0.7570 -0.7342 -0.7292 0.2809 0.2831 1.0349 1.0520 1.5280 1.5366 1.6023 1.6056 2.4827 2.4908 2.7226 2.7296 3.2818 3.2828 3.5417 3.5425 3.8237 3.8250 3.8675 3.8730 3.9760 3.9804 4.0209 4.0218 7.4066 7.4079 9.3338 9.3511 9.9915 9.9917 10.4835 10.4956 12.0819 12.1066 k =-0.0882 0.0545 0.0000 ( 4955 PWs) bands (ev): -13.3485 -13.3485 -12.5771 -12.5763 -11.2704 -11.2697 -9.9135 -9.9119 -9.7958 -9.7923 -9.5171 -9.5105 -4.4471 -4.4457 -3.7105 -3.7075 -3.6741 -3.6687 -1.1279 -1.1192 -0.7621 -0.7572 -0.7201 -0.7185 0.2730 0.2756 0.9936 1.0133 1.5372 1.5472 1.6166 1.6202 2.4949 2.5038 2.7036 2.7120 3.3000 3.3010 3.5441 3.5453 3.8146 3.8208 3.8350 3.8355 3.9809 3.9849 4.0078 4.0089 7.4501 7.4516 9.3358 9.3560 10.0109 10.0111 10.4988 10.5127 12.0269 12.0511 k =-0.1029 0.0635 0.0000 ( 4953 PWs) bands (ev): -13.3383 -13.3382 -12.5779 -12.5769 -11.2913 -11.2905 -9.9127 -9.9108 -9.7957 -9.7917 -9.5165 -9.5088 -4.4581 -4.4566 -3.6868 -3.6834 -3.6526 -3.6464 -1.1327 -1.1229 -0.7704 -0.7626 -0.7009 -0.7008 0.2638 0.2667 0.9476 0.9698 1.5478 1.5592 1.6333 1.6370 2.5073 2.5165 2.6809 2.6905 3.3212 3.3221 3.5470 3.5484 3.7796 3.7884 3.8214 3.8235 3.9863 3.9904 3.9930 3.9946 7.4994 7.5011 9.3387 9.3616 10.0341 10.0341 10.5157 10.5312 11.9681 11.9913 k =-0.1176 0.0726 0.0000 ( 4961 PWs) bands (ev): -13.3265 -13.3264 -12.5787 -12.5777 -11.3149 -11.3140 -9.9117 -9.9097 -9.7955 -9.7910 -9.5158 -9.5072 -4.4697 -4.4682 -3.6600 -3.6562 -3.6287 -3.6220 -1.1378 -1.1269 -0.7803 -0.7706 -0.6789 -0.6782 0.2536 0.2568 0.8978 0.9222 1.5598 1.5725 1.6521 1.6560 2.5192 2.5284 2.6542 2.6651 3.3449 3.3457 3.5500 3.5520 3.7335 3.7414 3.8181 3.8194 3.9765 3.9774 3.9938 3.9968 7.5539 7.5557 9.3426 9.3679 10.0607 10.0610 10.5338 10.5506 11.9064 11.9282 k =-0.1324 0.0817 0.0000 ( 4951 PWs) bands (ev): -13.3132 -13.3131 -12.5796 -12.5785 -11.3411 -11.3402 -9.9108 -9.9086 -9.7950 -9.7901 -9.5151 -9.5057 -4.4816 -4.4802 -3.6301 -3.6259 -3.6027 -3.5956 -1.1431 -1.1313 -0.7914 -0.7801 -0.6537 -0.6528 0.2422 0.2457 0.8449 0.8712 1.5729 1.5869 1.6730 1.6771 2.5301 2.5390 2.6235 2.6356 3.3706 3.3712 3.5530 3.5558 3.6843 3.6913 3.8152 3.8163 3.9590 3.9601 4.0009 4.0039 7.6127 7.6147 9.3476 9.3751 10.0910 10.0916 10.5524 10.5703 11.8426 11.8627 k =-0.1471 0.0908 0.0000 ( 4947 PWs) bands (ev): -13.2984 -13.2983 -12.5806 -12.5794 -11.3698 -11.3689 -9.9099 -9.9076 -9.7943 -9.7889 -9.5146 -9.5044 -4.4938 -4.4923 -3.5973 -3.5930 -3.5749 -3.5677 -1.1486 -1.1358 -0.8034 -0.7907 -0.6257 -0.6247 0.2299 0.2336 0.7895 0.8176 1.5869 1.6023 1.6960 1.7002 2.5395 2.5472 2.5895 2.6019 3.3975 3.3978 3.5548 3.5596 3.6345 3.6397 3.8126 3.8134 3.9410 3.9423 4.0089 4.0118 7.6751 7.6772 9.3538 9.3833 10.1247 10.1257 10.5710 10.5898 11.7773 11.7957 k =-0.1618 0.0998 0.0000 ( 4945 PWs) bands (ev): -13.2821 -13.2820 -12.5816 -12.5803 -11.4009 -11.3998 -9.9089 -9.9065 -9.7932 -9.7874 -9.5143 -9.5033 -4.5058 -4.5045 -3.5619 -3.5581 -3.5450 -3.5383 -1.1541 -1.1405 -0.8161 -0.8022 -0.5952 -0.5942 0.2167 0.2206 0.7322 0.7618 1.6018 1.6185 1.7208 1.7251 2.5419 2.5470 2.5629 2.5644 3.4245 3.4246 3.5489 3.5608 3.5898 3.5918 3.8098 3.8104 3.9237 3.9250 4.0175 4.0204 7.7404 7.7426 9.3613 9.3924 10.1617 10.1631 10.5891 10.6085 11.7113 11.7279 k =-0.1765 0.1089 0.0000 ( 4941 PWs) bands (ev): -13.2643 -13.2643 -12.5827 -12.5814 -11.4340 -11.4329 -9.9081 -9.9056 -9.7917 -9.7856 -9.5141 -9.5026 -4.5177 -4.5164 -3.5243 -3.5227 -3.5121 -3.5078 -1.1595 -1.1451 -0.8295 -0.8144 -0.5623 -0.5615 0.2027 0.2067 0.6735 0.7044 1.6173 1.6354 1.7473 1.7518 2.5026 2.5210 2.5545 2.5645 3.4501 3.4502 3.5142 3.5284 3.5737 3.5780 3.8060 3.8064 3.9090 3.9103 4.0268 4.0295 7.8079 7.8101 9.3701 9.4027 10.2016 10.2035 10.6062 10.6260 11.6451 11.6600 k =-0.1912 0.1180 0.0000 ( 4941 PWs) bands (ev): -13.2451 -13.2451 -12.5839 -12.5824 -11.4690 -11.4680 -9.9073 -9.9047 -9.7899 -9.7834 -9.5143 -9.5021 -4.5292 -4.5281 -3.4891 -3.4850 -3.4758 -3.4743 -1.1647 -1.1496 -0.8432 -0.8272 -0.5274 -0.5269 0.1879 0.1922 0.6138 0.6458 1.6331 1.6526 1.7755 1.7800 2.4555 2.4751 2.5590 2.5681 3.4601 3.4730 3.4769 3.4780 3.5773 3.5793 3.7996 3.7996 3.8998 3.9010 4.0365 4.0392 7.8769 7.8792 9.3804 9.4143 10.2441 10.2467 10.6220 10.6420 11.5792 11.5925 k =-0.2059 0.1271 0.0000 ( 4933 PWs) bands (ev): -13.2246 -13.2245 -12.5851 -12.5836 -11.5059 -11.5048 -9.9065 -9.9040 -9.7877 -9.7807 -9.5148 -9.5021 -4.5403 -4.5392 -3.4566 -3.4474 -3.4396 -3.4329 -1.1695 -1.1538 -0.8573 -0.8404 -0.4906 -0.4904 0.1726 0.1770 0.5536 0.5865 1.6490 1.6701 1.8051 1.8098 2.4045 2.4255 2.5621 2.5706 3.4116 3.4244 3.4927 3.4947 3.5822 3.5833 3.7881 3.7884 3.8991 3.9002 4.0467 4.0493 7.9469 7.9493 9.3921 9.4271 10.2885 10.2919 10.6366 10.6564 11.5143 11.5261 k =-0.2206 0.1361 0.0000 ( 4935 PWs) bands (ev): -13.2026 -13.2026 -12.5863 -12.5848 -11.5442 -11.5432 -9.9059 -9.9033 -9.7850 -9.7777 -9.5157 -9.5025 -4.5508 -4.5498 -3.4241 -3.4140 -3.3973 -3.3895 -1.1739 -1.1576 -0.8715 -0.8539 -0.4525 -0.4522 0.1567 0.1613 0.4932 0.5269 1.6647 1.6874 1.8359 1.8408 2.3504 2.3728 2.5638 2.5716 3.3609 3.3730 3.5072 3.5092 3.5874 3.5881 3.7714 3.7719 3.9082 3.9092 4.0572 4.0597 8.0174 8.0198 9.4055 9.4413 10.3336 10.3384 10.6501 10.6693 11.4508 11.4612 k =-0.2353 0.1452 0.0000 ( 4931 PWs) bands (ev): -13.1794 -13.1793 -12.5875 -12.5860 -11.5840 -11.5830 -9.9054 -9.9028 -9.7819 -9.7742 -9.5170 -9.5035 -4.5607 -4.5598 -3.3916 -3.3814 -3.3529 -3.3446 -1.1778 -1.1610 -0.8857 -0.8674 -0.4133 -0.4125 0.1403 0.1453 0.4331 0.4673 1.6796 1.7042 1.8678 1.8730 2.2939 2.3180 2.5641 2.5715 3.3110 3.3228 3.5164 3.5185 3.5928 3.5932 3.7510 3.7518 3.9259 3.9269 4.0679 4.0704 8.0878 8.0902 9.4204 9.4570 10.3781 10.3847 10.6635 10.6816 11.3889 11.3982 k =-0.2500 0.1543 0.0000 ( 4931 PWs) bands (ev): -13.1549 -13.1548 -12.5888 -12.5872 -11.6249 -11.6239 -9.9049 -9.9024 -9.7783 -9.7703 -9.5188 -9.5049 -4.5699 -4.5692 -3.3591 -3.3488 -3.3073 -3.2988 -1.1810 -1.1637 -0.8997 -0.8809 -0.3732 -0.3718 0.1237 0.1290 0.3735 0.4080 1.6934 1.7200 1.9005 1.9062 2.2362 2.2620 2.5633 2.5702 3.2623 3.2739 3.5204 3.5225 3.5981 3.5984 3.7285 3.7294 3.9505 3.9515 4.0788 4.0812 8.1577 8.1602 9.4371 9.4743 10.4192 10.4285 10.6789 10.6949 11.3291 11.3374 k =-0.2647 0.1634 0.0000 ( 4931 PWs) bands (ev): -13.1291 -13.1291 -12.5900 -12.5885 -11.6669 -11.6659 -9.9046 -9.9022 -9.7742 -9.7659 -9.5211 -9.5069 -4.5784 -4.5778 -3.3268 -3.3166 -3.2612 -3.2524 -1.1835 -1.1657 -0.9133 -0.8943 -0.3326 -0.3304 0.1068 0.1125 0.3148 0.3494 1.7052 1.7339 1.9337 1.9401 2.1787 2.2061 2.5614 2.5679 3.2150 3.2265 3.5196 3.5218 3.6034 3.6036 3.7050 3.7059 3.9800 3.9810 4.0897 4.0920 8.2267 8.2292 9.4555 9.4931 10.4533 10.4665 10.6994 10.7122 11.2717 11.2791 k =-0.2794 0.1724 0.0000 ( 4933 PWs) bands (ev): -13.1023 -13.1022 -12.5912 -12.5897 -11.7096 -11.7087 -9.9043 -9.9020 -9.7697 -9.7611 -9.5238 -9.5095 -4.5863 -4.5857 -3.2949 -3.2848 -3.2148 -3.2058 -1.1851 -1.1670 -0.9265 -0.9073 -0.2919 -0.2889 0.0899 0.0962 0.2573 0.2918 1.7138 1.7449 1.9665 1.9746 2.1240 2.1521 2.5585 2.5648 3.1691 3.1804 3.5150 3.5171 3.6086 3.6088 3.6811 3.6821 4.0130 4.0140 4.1005 4.1027 8.2944 8.2968 9.4757 9.5137 10.4764 10.4941 10.7286 10.7376 11.2169 11.2236 k =-0.2941 0.1815 0.0000 ( 4933 PWs) bands (ev): -13.0743 -13.0743 -12.5924 -12.5910 -11.7530 -11.7521 -9.9042 -9.9019 -9.7647 -9.7559 -9.5271 -9.5126 -4.5934 -4.5929 -3.2636 -3.2537 -3.1687 -3.1596 -1.1857 -1.1674 -0.9391 -0.9198 -0.2518 -0.2476 0.0732 0.0804 0.2014 0.2356 1.7178 1.7508 1.9963 2.0091 2.0771 2.1025 2.5549 2.5608 3.1246 3.1357 3.5072 3.5093 3.6135 3.6138 3.6574 3.6586 4.0481 4.0490 4.1112 4.1133 8.3603 8.3627 9.4977 9.5360 10.4863 10.5081 10.7684 10.7739 11.1650 11.1711 k =-0.3088 0.1906 0.0000 ( 4929 PWs) bands (ev): -13.0455 -13.0454 -12.5936 -12.5922 -11.7967 -11.7959 -9.9041 -9.9020 -9.7593 -9.7502 -9.5308 -9.5162 -4.5998 -4.5994 -3.2330 -3.2234 -3.1231 -3.1140 -1.1853 -1.1669 -0.9509 -0.9318 -0.2129 -0.2074 0.0571 0.0654 0.1475 0.1810 1.7151 1.7487 2.0047 2.0400 2.0597 2.0634 2.5506 2.5563 3.0816 3.0925 3.4970 3.4990 3.6178 3.6187 3.6342 3.6359 4.0840 4.0848 4.1218 4.1236 8.4241 8.4266 9.5216 9.5602 10.4839 10.5087 10.8176 10.8208 11.1160 11.1218 k =-0.3235 0.1997 0.0000 ( 4925 PWs) bands (ev): -13.0157 -13.0157 -12.5947 -12.5934 -11.8406 -11.8398 -9.9041 -9.9021 -9.7534 -9.7441 -9.5350 -9.5204 -4.6055 -4.6052 -3.2034 -3.1941 -3.0786 -3.0696 -1.1839 -1.1655 -0.9618 -0.9430 -0.1764 -0.1694 0.0424 0.0521 0.0959 0.1284 1.7035 1.7351 1.9843 2.0226 2.0821 2.0832 2.5456 2.5511 3.0401 3.0507 3.4851 3.4870 3.6111 3.6116 3.6234 3.6247 4.1196 4.1198 4.1327 4.1339 8.4855 8.4879 9.5475 9.5861 10.4713 10.4982 10.8738 10.8756 11.0703 11.0758 k =-0.3382 0.2087 0.0000 ( 4921 PWs) bands (ev): -12.9853 -12.9853 -12.5958 -12.5945 -11.8844 -11.8837 -9.9041 -9.9023 -9.7472 -9.7378 -9.5396 -9.5251 -4.6106 -4.6103 -3.1750 -3.1661 -3.0356 -3.0267 -1.1815 -1.1632 -0.9717 -0.9535 -0.1441 -0.1355 0.0305 0.0414 0.0473 0.0788 1.6820 1.7088 1.9691 2.0007 2.1153 2.1161 2.5400 2.5454 3.0002 3.0104 3.4720 3.4738 3.5901 3.5904 3.6278 3.6283 4.1398 4.1421 4.1560 4.1574 8.5441 8.5464 9.5753 9.6140 10.4510 10.4793 10.9345 10.9351 11.0280 11.0337 k =-0.3529 0.2178 0.0000 ( 4927 PWs) bands (ev): -12.9543 -12.9543 -12.5968 -12.5956 -11.9279 -11.9272 -9.9042 -9.9025 -9.7407 -9.7311 -9.5446 -9.5303 -4.6151 -4.6148 -3.1480 -3.1397 -2.9945 -2.9858 -1.1781 -1.1600 -0.9805 -0.9632 -0.1187 -0.1097 0.0023 0.0241 0.0246 0.0440 1.6517 1.6725 1.9643 1.9887 2.1483 2.1502 2.5339 2.5391 2.9621 2.9719 3.4583 3.4600 3.5696 3.5700 3.6319 3.6322 4.1494 4.1513 4.1895 4.1907 8.5994 8.6017 9.6050 9.6438 10.4244 10.4539 10.9835 10.9847 11.0024 11.0095 k =-0.3676 0.2269 0.0000 ( 4927 PWs) bands (ev): -12.9231 -12.9231 -12.5977 -12.5966 -11.9708 -11.9701 -9.9044 -9.9028 -9.7340 -9.7243 -9.5499 -9.5359 -4.6189 -4.6188 -3.1226 -3.1149 -2.9556 -2.9474 -1.1737 -1.1561 -0.9881 -0.9719 -0.1034 -0.0982 -0.0368 -0.0174 0.0290 0.0451 1.6157 1.6307 1.9668 1.9849 2.1812 2.1837 2.5272 2.5324 2.9260 2.9352 3.4445 3.4460 3.5504 3.5508 3.6357 3.6360 4.1579 4.1596 4.2214 4.2225 8.6512 8.6533 9.6367 9.6754 10.3929 10.4233 10.9520 10.9551 11.0649 11.0675 k =-0.3824 0.2360 0.0000 ( 4921 PWs) bands (ev): -12.8918 -12.8918 -12.5986 -12.5975 -12.0126 -12.0120 -9.9045 -9.9031 -9.7270 -9.7173 -9.5554 -9.5418 -4.6222 -4.6221 -3.0992 -3.0921 -2.9195 -2.9118 -1.1686 -1.1517 -0.9946 -0.9797 -0.1075 -0.0993 -0.0649 -0.0583 0.0449 0.0582 1.5771 1.5875 1.9735 1.9866 2.2132 2.2161 2.5200 2.5251 2.8921 2.9008 3.4310 3.4324 3.5325 3.5329 3.6392 3.6394 4.1656 4.1672 4.2510 4.2520 8.6990 8.7010 9.6704 9.7090 10.3574 10.3886 10.9199 10.9232 11.1311 11.1333 k =-0.3971 0.2450 0.0000 ( 4915 PWs) bands (ev): -12.8609 -12.8609 -12.5993 -12.5984 -12.0530 -12.0525 -9.9046 -9.9034 -9.7199 -9.7104 -9.5610 -9.5480 -4.6250 -4.6249 -3.0777 -3.0714 -2.8866 -2.8794 -1.1629 -1.1469 -0.9999 -0.9865 -0.1329 -0.1070 -0.0921 -0.0816 0.0676 0.0777 1.5386 1.5456 1.9822 1.9915 2.2440 2.2473 2.5122 2.5172 2.8608 2.8688 3.4181 3.4193 3.5161 3.5165 3.6423 3.6425 4.1726 4.1739 4.2780 4.2789 8.7424 8.7443 9.7060 9.7444 10.3187 10.3506 10.8913 10.8944 11.1973 11.1997 k =-0.4118 0.2541 0.0000 ( 4925 PWs) bands (ev): -12.8308 -12.8308 -12.6000 -12.5992 -12.0914 -12.0909 -9.9048 -9.9037 -9.7129 -9.7037 -9.5666 -9.5543 -4.6274 -4.6273 -3.0586 -3.0530 -2.8571 -2.8507 -1.1568 -1.1421 -1.0040 -0.9923 -0.1612 -0.1348 -0.1062 -0.0949 0.0920 0.0995 1.5022 1.5068 1.9916 1.9980 2.2734 2.2769 2.5037 2.5087 2.8325 2.8397 3.4063 3.4073 3.5014 3.5018 3.6451 3.6453 4.1787 4.1799 4.3019 4.3027 8.7812 8.7828 9.7433 9.7815 10.2774 10.3100 10.8663 10.8690 11.2628 11.2654 k =-0.4265 0.2632 0.0000 ( 4925 PWs) bands (ev): -12.8024 -12.8023 -12.6005 -12.5999 -12.1270 -12.1266 -9.9049 -9.9040 -9.7060 -9.6973 -9.5718 -9.5606 -4.6293 -4.6292 -3.0420 -3.0372 -2.8314 -2.8259 -1.1507 -1.1376 -1.0070 -0.9972 -0.1869 -0.1644 -0.1158 -0.1073 0.1152 0.1207 1.4694 1.4723 2.0008 2.0051 2.3009 2.3047 2.4946 2.4995 2.8076 2.8138 3.3957 3.3966 3.4886 3.4889 3.6475 3.6476 4.1839 4.1849 4.3226 4.3233 8.8147 8.8162 9.7824 9.8203 10.2342 10.2674 10.8449 10.8474 11.3268 11.3298 k =-0.4412 0.2723 0.0000 ( 4925 PWs) bands (ev): -12.7763 -12.7762 -12.6010 -12.6004 -12.1589 -12.1586 -9.9050 -9.9043 -9.6995 -9.6917 -9.5766 -9.5667 -4.6308 -4.6307 -3.0280 -3.0241 -2.8099 -2.8053 -1.1447 -1.1336 -1.0090 -1.0011 -0.2084 -0.1900 -0.1248 -0.1185 0.1356 0.1396 1.4413 1.4430 2.0091 2.0120 2.3264 2.3303 2.4849 2.4896 2.7866 2.7917 3.3867 3.3874 3.4778 3.4780 3.6495 3.6496 4.1883 4.1891 4.3399 4.3405 8.8428 8.8441 9.8231 9.8606 10.1897 10.2234 10.8274 10.8294 11.3886 11.3921 k =-0.4559 0.2813 0.0000 ( 4938 PWs) bands (ev): -12.7538 -12.7537 -12.6013 -12.6009 -12.1860 -12.1858 -9.9051 -9.9045 -9.6935 -9.6870 -9.5805 -9.5724 -4.6319 -4.6319 -3.0168 -3.0139 -2.7927 -2.7892 -1.1393 -1.1305 -1.0102 -1.0043 -0.2251 -0.2110 -0.1324 -0.1279 0.1523 0.1551 1.4187 1.4196 2.0161 2.0179 2.3494 2.3532 2.4746 2.4791 2.7698 2.7738 3.3794 3.3800 3.4692 3.4694 3.6510 3.6511 4.1918 4.1924 4.3535 4.3539 8.8651 8.8661 9.8651 9.9019 10.1446 10.1786 10.8137 10.8153 11.4476 11.4516 k =-0.4706 0.2904 0.0000 ( 4934 PWs) bands (ev): -12.7361 -12.7361 -12.6016 -12.6013 -12.2070 -12.2068 -9.9051 -9.9047 -9.6885 -9.6838 -9.5831 -9.5773 -4.6327 -4.6327 -3.0086 -3.0066 -2.7801 -2.7777 -1.1347 -1.1286 -1.0106 -1.0067 -0.2365 -0.2270 -0.1381 -0.1352 0.1648 0.1665 1.4021 1.4026 2.0214 2.0224 2.3691 2.3726 2.4645 2.4684 2.7577 2.7604 3.3742 3.3745 3.4630 3.4631 3.6521 3.6522 4.1943 4.1947 4.3633 4.3636 8.8813 8.8819 9.9079 9.9436 10.0999 10.1337 10.8040 10.8051 11.5030 11.5077 k =-0.4853 0.2995 0.0000 ( 4938 PWs) bands (ev): -12.7248 -12.7248 -12.6017 -12.6015 -12.2202 -12.2202 -9.9051 -9.9049 -9.6847 -9.6822 -9.5842 -9.5811 -4.6332 -4.6332 -3.0035 -3.0025 -2.7723 -2.7711 -1.1312 -1.1281 -1.0105 -1.0085 -0.2424 -0.2376 -0.1414 -0.1400 0.1726 0.1734 1.3920 1.3922 2.0247 2.0252 2.3841 2.3864 2.4564 2.4589 2.7506 2.7520 3.3710 3.3711 3.4592 3.4593 3.6528 3.6528 4.1958 4.1960 4.3693 4.3694 8.8912 8.8915 9.9507 9.9818 10.0596 10.0898 10.7982 10.7988 11.5537 11.5595 k =-0.5000 0.3086 0.0000 ( 4936 PWs) bands (ev): -12.7209 -12.7209 -12.6017 -12.6017 -12.2248 -12.2248 -9.9050 -9.9050 -9.6825 -9.6825 -9.5835 -9.5835 -4.6333 -4.6333 -3.0014 -3.0014 -2.7692 -2.7692 -1.1289 -1.1289 -1.0098 -1.0098 -0.2428 -0.2428 -0.1421 -0.1421 0.1755 0.1755 1.3887 1.3887 2.0260 2.0260 2.3910 2.3910 2.4538 2.4538 2.7487 2.7487 3.3700 3.3700 3.4579 3.4579 3.6530 3.6530 4.1964 4.1964 4.3713 4.3713 8.8946 8.8946 9.9874 9.9874 10.0530 10.0530 10.7965 10.7965 11.5938 11.5938 k =-0.5000 0.3086 0.0000 ( 4936 PWs) bands (ev): -12.7209 -12.7209 -12.6017 -12.6017 -12.2248 -12.2248 -9.9050 -9.9050 -9.6825 -9.6825 -9.5835 -9.5835 -4.6333 -4.6333 -3.0014 -3.0014 -2.7692 -2.7692 -1.1289 -1.1289 -1.0098 -1.0098 -0.2428 -0.2428 -0.1421 -0.1421 0.1755 0.1755 1.3887 1.3887 2.0260 2.0260 2.3910 2.3910 2.4538 2.4538 2.7487 2.7487 3.3700 3.3700 3.4579 3.4579 3.6530 3.6530 4.1964 4.1964 4.3713 4.3713 8.8946 8.8946 9.9874 9.9874 10.0530 10.0530 10.7965 10.7965 11.5938 11.5938 k =-0.4914 0.3225-0.0000 ( 4936 PWs) bands (ev): -12.7212 -12.7211 -12.6018 -12.6017 -12.2239 -12.2239 -9.9153 -9.9085 -9.6808 -9.6725 -9.5835 -9.5825 -4.6330 -4.6328 -3.0144 -3.0127 -2.7560 -2.7527 -1.1668 -1.1187 -1.0189 -0.9715 -0.2593 -0.2500 -0.1417 -0.1415 0.1817 0.1869 1.3896 1.3899 2.0228 2.0247 2.3882 2.3929 2.4541 2.4546 2.7462 2.7475 3.3709 3.3727 3.4575 3.4580 3.6538 3.6542 4.1946 4.1947 4.3709 4.3716 8.8963 8.8966 9.9862 9.9865 10.0526 10.0546 10.7953 10.7964 11.5869 11.5958 k =-0.4828 0.3364-0.0000 ( 4944 PWs) bands (ev): -12.7220 -12.7219 -12.6021 -12.6021 -12.2213 -12.2211 -9.9367 -9.9250 -9.6682 -9.6535 -9.5824 -9.5805 -4.6319 -4.6315 -3.0446 -3.0423 -2.7191 -2.7134 -1.2111 -1.1472 -0.9880 -0.9254 -0.2940 -0.2780 -0.1429 -0.1419 0.2043 0.2135 1.3927 1.3933 2.0150 2.0187 2.3845 2.3937 2.4554 2.4564 2.7403 2.7427 3.3752 3.3788 3.4568 3.4576 3.6564 3.6573 4.1893 4.1895 4.3703 4.3716 8.9018 8.9023 9.9825 9.9834 10.0538 10.0574 10.7927 10.7950 11.5766 11.5899 k =-0.4742 0.3504-0.0000 ( 4948 PWs) bands (ev): -12.7235 -12.7232 -12.6027 -12.6026 -12.2169 -12.2166 -9.9653 -9.9508 -9.6483 -9.6294 -9.5803 -9.5775 -4.6300 -4.6294 -3.0824 -3.0802 -2.6685 -2.6611 -1.2563 -1.1880 -0.9431 -0.8769 -0.3400 -0.3194 -0.1485 -0.1459 0.2390 0.2506 1.3979 1.3988 2.0029 2.0082 2.3799 2.3935 2.4576 2.4592 2.7312 2.7347 3.3827 3.3877 3.4558 3.4570 3.6610 3.6623 4.1809 4.1812 4.3692 4.3710 8.9111 8.9119 9.9763 9.9782 10.0570 10.0616 10.7889 10.7922 11.5635 11.5774 k =-0.4656 0.3643-0.0000 ( 4952 PWs) bands (ev): -12.7255 -12.7252 -12.6034 -12.6032 -12.2106 -12.2103 -9.9984 -9.9825 -9.6247 -9.6029 -9.5771 -9.5733 -4.6273 -4.6265 -3.1226 -3.1208 -2.6099 -2.6012 -1.3010 -1.2310 -0.8946 -0.8272 -0.3928 -0.3689 -0.1587 -0.1546 0.2813 0.2941 1.4052 1.4064 1.9866 1.9933 2.3743 2.3919 2.4609 2.4630 2.7193 2.7238 3.3924 3.3986 3.4552 3.4562 3.6676 3.6695 4.1696 4.1701 4.3675 4.3698 8.9241 8.9251 9.9672 9.9706 10.0622 10.0673 10.7838 10.7880 11.5476 11.5609 k =-0.4570 0.3782-0.0000 ( 4956 PWs) bands (ev): -12.7281 -12.7277 -12.6043 -12.6040 -12.2026 -12.2022 -10.0343 -10.0179 -9.6000 -9.5773 -9.5722 -9.5665 -4.6239 -4.6228 -3.1629 -3.1616 -2.5460 -2.5360 -1.3446 -1.2737 -0.8448 -0.7772 -0.4499 -0.4232 -0.1733 -0.1677 0.3279 0.3411 1.4147 1.4162 1.9663 1.9742 2.3676 2.3889 2.4650 2.4677 2.7052 2.7107 3.4033 3.4099 3.4558 3.4559 3.6762 3.6788 4.1560 4.1568 4.3648 4.3674 8.9407 8.9421 9.9555 9.9607 10.0698 10.0748 10.7775 10.7824 11.5287 11.5411 k =-0.4484 0.3922-0.0000 ( 4944 PWs) bands (ev): -12.7314 -12.7310 -12.6052 -12.6049 -12.1928 -12.1923 -10.0721 -10.0556 -9.5786 -9.5647 -9.5629 -9.5458 -4.6196 -4.6184 -3.2021 -3.2014 -2.4781 -2.4670 -1.3865 -1.3151 -0.7946 -0.7270 -0.5094 -0.4803 -0.1919 -0.1849 0.3765 0.3897 1.4262 1.4281 1.9424 1.9511 2.3598 2.3843 2.4700 2.4734 2.6894 2.6957 3.4137 3.4189 3.4571 3.4594 3.6871 3.6903 4.1405 4.1416 4.3608 4.3637 8.9611 8.9627 9.9410 9.9482 10.0800 10.0845 10.7698 10.7754 11.5069 11.5181 k =-0.4398 0.4061-0.0000 ( 4954 PWs) bands (ev): -12.7355 -12.7349 -12.6062 -12.6059 -12.1813 -12.1806 -10.1111 -10.0948 -9.5671 -9.5575 -9.5430 -9.5196 -4.6147 -4.6133 -3.2399 -3.2398 -2.4069 -2.3946 -1.4263 -1.3547 -0.7446 -0.6775 -0.5700 -0.5389 -0.2143 -0.2060 0.4256 0.4385 1.4399 1.4421 1.9151 1.9243 2.3505 2.3780 2.4758 2.4798 2.6725 2.6796 3.4210 3.4233 3.4616 3.4679 3.7004 3.7042 4.1235 4.1250 4.3555 4.3586 8.9851 8.9870 9.9239 9.9330 10.0929 10.0968 10.7608 10.7668 11.4822 11.4920 k =-0.4312 0.4200-0.0000 ( 4954 PWs) bands (ev): -12.7402 -12.7396 -12.6071 -12.6068 -12.1680 -12.1672 -10.1509 -10.1349 -9.5594 -9.5498 -9.5194 -9.4941 -4.6091 -4.6075 -3.2765 -3.2761 -2.3331 -2.3195 -1.4637 -1.3921 -0.6968 -0.6441 -0.6154 -0.5965 -0.2403 -0.2307 0.4742 0.4867 1.4556 1.4582 1.8847 1.8943 2.3397 2.3698 2.4821 2.4869 2.6550 2.6629 3.4234 3.4237 3.4704 3.4804 3.7160 3.7205 4.1054 4.1074 4.3487 4.3518 9.0126 9.0148 9.9041 9.9150 10.1088 10.1118 10.7504 10.7567 11.4546 11.4629 k =-0.4226 0.4340-0.0000 ( 4950 PWs) bands (ev): -12.7458 -12.7452 -12.6081 -12.6077 -12.1529 -12.1520 -10.1911 -10.1755 -9.5516 -9.5414 -9.4963 -9.4698 -4.6029 -4.6011 -3.3115 -3.3106 -2.2569 -2.2420 -1.4983 -1.4268 -0.6984 -0.6772 -0.6264 -0.5738 -0.2697 -0.2589 0.5214 0.5335 1.4732 1.4763 1.8515 1.8613 2.3272 2.3596 2.4889 2.4946 2.6375 2.6461 3.4210 3.4227 3.4822 3.4944 3.7340 3.7391 4.0867 4.0890 4.3403 4.3434 9.0437 9.0462 9.8818 9.8944 10.1279 10.1300 10.7385 10.7449 11.4242 11.4309 k =-0.4140 0.4479-0.0000 ( 4944 PWs) bands (ev): -12.7522 -12.7515 -12.6089 -12.6086 -12.1360 -12.1351 -10.2316 -10.2164 -9.5432 -9.5321 -9.4743 -9.4470 -4.5960 -4.5941 -3.3449 -3.3435 -2.1790 -2.1625 -1.5294 -1.4584 -0.7605 -0.7278 -0.5865 -0.5247 -0.3026 -0.2905 0.5667 0.5783 1.4929 1.4964 1.8159 1.8259 2.3129 2.3474 2.4958 2.5023 2.6205 2.6299 3.4172 3.4197 3.4950 3.5087 3.7544 3.7599 4.0675 4.0702 4.3303 4.3333 9.0782 9.0811 9.8570 9.8710 10.1504 10.1514 10.7251 10.7315 11.3912 11.3963 k =-0.4054 0.4618-0.0000 ( 4942 PWs) bands (ev): -12.7595 -12.7588 -12.6096 -12.6092 -12.1175 -12.1164 -10.2720 -10.2574 -9.5342 -9.5222 -9.4539 -9.4259 -4.5886 -4.5866 -3.3768 -3.3750 -2.0999 -2.0816 -1.5565 -1.4863 -0.8227 -0.7869 -0.5383 -0.4755 -0.3387 -0.3252 0.6093 0.6206 1.5143 1.5184 1.7784 1.7886 2.2968 2.3330 2.5023 2.5097 2.6049 2.6150 3.4126 3.4154 3.5079 3.5223 3.7768 3.7827 4.0482 4.0513 4.3188 4.3217 9.1160 9.1193 9.8297 9.8448 10.1765 10.1765 10.7100 10.7163 11.3558 11.3592 k =-0.3968 0.4758-0.0000 ( 4938 PWs) bands (ev): -12.7677 -12.7669 -12.6101 -12.6098 -12.0972 -12.0960 -10.3123 -10.2982 -9.5244 -9.5115 -9.4350 -9.4065 -4.5807 -4.5786 -3.4074 -3.4051 -2.0208 -1.9999 -1.5783 -1.5096 -0.8844 -0.8465 -0.4900 -0.4267 -0.3779 -0.3626 0.6487 0.6598 1.5374 1.5422 1.7395 1.7499 2.2787 2.3164 2.5075 2.5155 2.5921 2.6025 3.4075 3.4104 3.5201 3.5351 3.8011 3.8072 4.0290 4.0325 4.3060 4.3087 9.1571 9.1607 9.8000 9.8161 10.2053 10.2063 10.6932 10.6993 11.3183 11.3200 k =-0.3882 0.4897-0.0000 ( 4930 PWs) bands (ev): -12.7767 -12.7759 -12.6105 -12.6102 -12.0751 -12.0738 -10.3523 -10.3387 -9.5140 -9.5002 -9.4179 -9.3889 -4.5724 -4.5702 -3.4368 -3.4342 -1.9435 -1.9189 -1.5928 -1.5270 -0.9454 -0.9056 -0.4456 -0.4207 -0.3992 -0.3778 0.6843 0.6953 1.5617 1.5675 1.7000 1.7111 2.2585 2.2975 2.5102 2.5178 2.5840 2.5937 3.4020 3.4050 3.5317 3.5469 3.8269 3.8330 4.0102 4.0140 4.2920 4.2944 9.2013 9.2054 9.7679 9.7847 10.2380 10.2401 10.6747 10.6804 11.2788 11.2789 k =-0.3796 0.5036-0.0000 ( 4920 PWs) bands (ev): -12.7867 -12.7859 -12.6107 -12.6103 -12.0514 -12.0500 -10.3919 -10.3788 -9.5030 -9.4882 -9.4025 -9.3731 -4.5638 -4.5614 -3.4654 -3.4623 -1.8720 -1.8411 -1.5961 -1.5357 -1.0052 -0.9637 -0.4661 -0.4551 -0.3852 -0.3297 0.7153 0.7264 1.5855 1.5929 1.6619 1.6742 2.2363 2.2764 2.5091 2.5147 2.5826 2.5902 3.3963 3.3991 3.5424 3.5576 3.8537 3.8598 3.9920 3.9960 4.2769 4.2791 9.2485 9.2530 9.7335 9.7509 10.2747 10.2778 10.6543 10.6596 11.2363 11.2378 k =-0.3710 0.5176-0.0000 ( 4914 PWs) bands (ev): -12.7975 -12.7967 -12.6107 -12.6104 -12.0260 -12.0244 -10.4310 -10.4184 -9.4914 -9.4757 -9.3889 -9.3592 -4.5548 -4.5524 -3.4931 -3.4897 -1.8136 -1.7722 -1.5808 -1.5301 -1.0638 -1.0206 -0.5145 -0.5002 -0.3389 -0.2818 0.7411 0.7525 1.5987 1.6037 1.6407 1.6504 2.2119 2.2531 2.5041 2.5071 2.5874 2.5920 3.3904 3.3930 3.5523 3.5674 3.8812 3.8871 3.9743 3.9786 4.2609 4.2628 9.2986 9.3036 9.6969 9.7147 10.3154 10.3196 10.6321 10.6370 11.1923 11.1953 k =-0.3624 0.5315-0.0000 ( 4918 PWs) bands (ev): -12.8092 -12.8084 -12.6105 -12.6102 -11.9989 -11.9972 -10.4694 -10.4573 -9.4793 -9.4626 -9.3770 -9.3472 -4.5456 -4.5432 -3.5204 -3.5167 -1.7760 -1.7212 -1.5393 -1.5012 -1.1208 -1.0760 -0.5657 -0.5499 -0.2911 -0.2342 0.7607 0.7727 1.5744 1.5787 1.6625 1.6629 2.1855 2.2275 2.4964 2.4972 2.5959 2.5980 3.3844 3.3868 3.5614 3.5763 3.9089 3.9147 3.9576 3.9620 4.2444 4.2459 9.3515 9.3569 9.6581 9.6761 10.3602 10.3654 10.6081 10.6126 11.1473 11.1518 k =-0.3538 0.5454-0.0000 ( 4924 PWs) bands (ev): -12.8217 -12.8209 -12.6101 -12.6098 -11.9702 -11.9683 -10.5071 -10.4955 -9.4668 -9.4491 -9.3669 -9.3369 -4.5363 -4.5338 -3.5474 -3.5433 -1.7568 -1.6922 -1.4741 -1.4450 -1.1759 -1.1297 -0.6197 -0.6029 -0.2431 -0.1869 0.7732 0.7860 1.5396 1.5468 1.6914 1.6937 2.1570 2.1997 2.4867 2.4876 2.6064 2.6066 3.3784 3.3805 3.5698 3.5843 3.9362 3.9411 3.9420 3.9473 4.2274 4.2287 9.4069 9.4128 9.6173 9.6353 10.4089 10.4149 10.5826 10.5867 11.1015 11.1074 k =-0.3452 0.5594-0.0000 ( 4918 PWs) bands (ev): -12.8350 -12.8342 -12.6096 -12.6093 -11.9398 -11.9378 -10.5440 -10.5329 -9.4539 -9.4353 -9.3585 -9.3285 -4.5269 -4.5244 -3.5742 -3.5698 -1.7468 -1.6776 -1.3948 -1.3689 -1.2286 -1.1816 -0.6764 -0.6586 -0.1951 -0.1398 0.7778 0.7917 1.5072 1.5159 1.7240 1.7275 2.1265 2.1697 2.4768 2.4788 2.6168 2.6180 3.3725 3.3742 3.5773 3.5916 3.9266 3.9309 3.9640 3.9696 4.2103 4.2113 9.4647 9.4711 9.5745 9.5923 10.4605 10.4671 10.5565 10.5604 11.0553 11.0625 k =-0.3452 0.5594-0.0000 ( 4918 PWs) bands (ev): -12.8350 -12.8342 -12.6096 -12.6093 -11.9398 -11.9378 -10.5440 -10.5329 -9.4539 -9.4353 -9.3585 -9.3285 -4.5269 -4.5244 -3.5742 -3.5698 -1.7468 -1.6776 -1.3948 -1.3689 -1.2286 -1.1816 -0.6764 -0.6586 -0.1951 -0.1398 0.7778 0.7917 1.5072 1.5159 1.7240 1.7275 2.1265 2.1697 2.4768 2.4788 2.6168 2.6180 3.3725 3.3742 3.5773 3.5916 3.9266 3.9309 3.9640 3.9696 4.2103 4.2113 9.4647 9.4711 9.5745 9.5923 10.4605 10.4671 10.5565 10.5604 11.0553 11.0625 k =-0.3452 0.5594 0.0173 ( 4922 PWs) bands (ev): -12.8348 -12.8339 -12.6096 -12.6094 -11.9388 -11.9368 -10.5435 -10.5324 -9.4567 -9.4381 -9.3596 -9.3296 -4.5233 -4.5208 -3.5752 -3.5708 -1.7431 -1.6743 -1.4002 -1.3746 -1.2269 -1.1799 -0.6788 -0.6611 -0.1890 -0.1342 0.7784 0.7922 1.5063 1.5149 1.7245 1.7280 2.1263 2.1691 2.4699 2.4716 2.6230 2.6239 3.3719 3.3736 3.5786 3.5928 3.9261 3.9305 3.9642 3.9698 4.2095 4.2105 9.4632 9.4694 9.5724 9.5902 10.4604 10.4671 10.5451 10.5489 11.0661 11.0734 k =-0.3452 0.5594 0.0346 ( 4922 PWs) bands (ev): -12.8340 -12.8332 -12.6097 -12.6095 -11.9356 -11.9336 -10.5421 -10.5310 -9.4651 -9.4467 -9.3629 -9.3331 -4.5125 -4.5102 -3.5782 -3.5738 -1.7322 -1.6649 -1.4161 -1.3909 -1.2220 -1.1746 -0.6860 -0.6686 -0.1713 -0.1180 0.7800 0.7937 1.5039 1.5119 1.7259 1.7294 2.1257 2.1674 2.4520 2.4530 2.6388 2.6390 3.3703 3.3718 3.5825 3.5963 3.9248 3.9291 3.9649 3.9704 4.2072 4.2082 9.4589 9.4646 9.5661 9.5839 10.4588 10.4657 10.5152 10.5189 11.0954 11.1032 k =-0.3452 0.5594 0.0519 ( 4919 PWs) bands (ev): -12.8328 -12.8319 -12.6099 -12.6097 -11.9303 -11.9283 -10.5397 -10.5287 -9.4790 -9.4609 -9.3684 -9.3388 -4.4946 -4.4926 -3.5829 -3.5785 -1.7158 -1.6516 -1.4401 -1.4144 -1.2136 -1.1660 -0.6980 -0.6808 -0.1431 -0.0922 0.7827 0.7962 1.4998 1.5070 1.7281 1.7316 2.1246 2.1643 2.4274 2.4277 2.6590 2.6594 3.3678 3.3689 3.5887 3.6020 3.9226 3.9269 3.9659 3.9714 4.2033 4.2043 9.4521 9.4570 9.5555 9.5734 10.4443 10.4498 10.4847 10.4900 11.1369 11.1452 k =-0.3452 0.5594 0.0692 ( 4925 PWs) bands (ev): -12.8310 -12.8302 -12.6103 -12.6101 -11.9228 -11.9209 -10.5364 -10.5255 -9.4983 -9.4804 -9.3761 -9.3468 -4.4698 -4.4683 -3.5892 -3.5847 -1.6971 -1.6399 -1.4677 -1.4382 -1.2018 -1.1541 -0.7145 -0.6977 -0.1065 -0.0584 0.7865 0.7997 1.4942 1.5002 1.7312 1.7347 2.1226 2.1599 2.3988 2.3991 2.6811 2.6821 3.3646 3.3653 3.5968 3.6096 3.9195 3.9237 3.9673 3.9727 4.1980 4.1988 9.4435 9.4474 9.5409 9.5587 10.3983 10.4022 10.4782 10.4855 11.1847 11.1934 k =-0.3452 0.5594 0.0864 ( 4931 PWs) bands (ev): -12.8288 -12.8280 -12.6107 -12.6105 -11.9133 -11.9114 -10.5321 -10.5213 -9.5228 -9.5053 -9.3859 -9.3570 -4.4384 -4.4374 -3.5966 -3.5921 -1.6848 -1.6411 -1.4893 -1.4495 -1.1869 -1.1391 -0.7352 -0.7189 -0.0632 -0.0183 0.7914 0.8042 1.4872 1.4917 1.7350 1.7386 2.1197 2.1539 2.3678 2.3687 2.7039 2.7055 3.3607 3.3610 3.6065 3.6187 3.9154 3.9196 3.9689 3.9741 4.1911 4.1919 9.4339 9.4365 9.5221 9.5400 10.3403 10.3438 10.4807 10.4889 11.2343 11.2432 k =-0.3452 0.5594 0.1037 ( 4939 PWs) bands (ev): -12.8261 -12.8253 -12.6112 -12.6110 -11.9016 -11.8998 -10.5268 -10.5162 -9.5521 -9.5350 -9.3977 -9.3694 -4.4006 -4.4002 -3.6047 -3.6002 -1.6928 -1.6662 -1.4896 -1.4361 -1.1689 -1.1214 -0.7598 -0.7439 -0.0152 0.0264 0.7975 0.8098 1.4786 1.4815 1.7395 1.7430 2.1154 2.1459 2.3358 2.3372 2.7268 2.7289 3.3565 3.3566 3.6175 3.6289 3.9105 3.9145 3.9707 3.9757 4.1828 4.1835 9.4242 9.4253 9.4995 9.5172 10.2796 10.2831 10.4859 10.4948 11.2826 11.2914 k =-0.3452 0.5594 0.1210 ( 4949 PWs) bands (ev): -12.8230 -12.8221 -12.6118 -12.6116 -11.8878 -11.8861 -10.5206 -10.5101 -9.5860 -9.5694 -9.4115 -9.3838 -4.3572 -4.3568 -3.6131 -3.6087 -1.7270 -1.7120 -1.4620 -1.4001 -1.1486 -1.1017 -0.7876 -0.7719 0.0358 0.0741 0.8046 0.8164 1.4687 1.4698 1.7444 1.7477 2.1094 2.1359 2.3033 2.3052 2.7495 2.7521 3.3517 3.3522 3.6293 3.6400 3.9047 3.9086 3.9724 3.9772 4.1731 4.1737 9.4148 9.4153 9.4732 9.4906 10.2194 10.2230 10.4927 10.5024 11.3271 11.3352 k =-0.3452 0.5594 0.1383 ( 4947 PWs) bands (ev): -12.8194 -12.8185 -12.6125 -12.6124 -11.8720 -11.8703 -10.5133 -10.5031 -9.6242 -9.6082 -9.4273 -9.4002 -4.3085 -4.3073 -3.6214 -3.6172 -1.7786 -1.7701 -1.4147 -1.3492 -1.1268 -1.0815 -0.8174 -0.8012 0.0886 0.1237 0.8128 0.8240 1.4567 1.4576 1.7496 1.7526 2.1014 2.1235 2.2709 2.2733 2.7719 2.7749 3.3470 3.3478 3.6415 3.6516 3.8981 3.9017 3.9740 3.9786 4.1621 4.1626 9.4060 9.4078 9.4437 9.4605 10.1615 10.1652 10.5010 10.5113 11.3652 11.3723 k =-0.3452 0.5594 0.1556 ( 4945 PWs) bands (ev): -12.8154 -12.8145 -12.6133 -12.6132 -11.8540 -11.8524 -10.5051 -10.4951 -9.6664 -9.6509 -9.4448 -9.4186 -4.2547 -4.2526 -3.6292 -3.6251 -1.8396 -1.8351 -1.3553 -1.2885 -1.1056 -1.0636 -0.8469 -0.8287 0.1419 0.1738 0.8220 0.8326 1.4422 1.4451 1.7545 1.7572 2.0911 2.1084 2.2392 2.2420 2.7940 2.7974 3.3425 3.3435 3.6540 3.6633 3.8907 3.8940 3.9753 3.9796 4.1498 4.1502 9.3994 9.4006 9.4136 9.4274 10.1069 10.1108 10.5106 10.5214 11.3944 11.4003 k =-0.3452 0.5594 0.1729 ( 4939 PWs) bands (ev): -12.8110 -12.8101 -12.6143 -12.6142 -11.8340 -11.8324 -10.4959 -10.4861 -9.7121 -9.6973 -9.4642 -9.4387 -4.1961 -4.1931 -3.6360 -3.6322 -1.9058 -1.9042 -1.2878 -1.2204 -1.0893 -1.0538 -0.8715 -0.8484 0.1949 0.2237 0.8324 0.8423 1.4265 1.4313 1.7589 1.7611 2.0781 2.0905 2.2086 2.2119 2.8158 2.8196 3.3381 3.3394 3.6663 3.6750 3.8825 3.8856 3.9761 3.9801 4.1365 4.1366 9.3732 9.3889 9.3989 9.4045 10.0565 10.0606 10.5213 10.5327 11.4119 11.4167 k =-0.3452 0.5594 0.1902 ( 4939 PWs) bands (ev): -12.8063 -12.8054 -12.6154 -12.6154 -11.8119 -11.8104 -10.4857 -10.4762 -9.7611 -9.7469 -9.4851 -9.4606 -4.1332 -4.1292 -3.6417 -3.6382 -1.9758 -1.9752 -1.2148 -1.1465 -1.0852 -1.0606 -0.8832 -0.8518 0.2467 0.2725 0.8437 0.8529 1.4096 1.4163 1.7622 1.7638 2.0622 2.0694 2.1795 2.1833 2.8375 2.8415 3.3341 3.3355 3.6784 3.6864 3.8737 3.8764 3.9762 3.9798 4.1220 4.1220 9.3368 9.3524 9.3983 9.4066 10.0107 10.0149 10.5331 10.5449 11.4155 11.4199 k =-0.3452 0.5594 0.2075 ( 4938 PWs) bands (ev): -12.8012 -12.8003 -12.6167 -12.6167 -11.7877 -11.7864 -10.4745 -10.4652 -9.8130 -9.7994 -9.5076 -9.4840 -4.0663 -4.0613 -3.6457 -3.6426 -2.0488 -2.0464 -1.1431 -1.0946 -1.0877 -1.0672 -0.8748 -0.8353 0.2968 0.3197 0.8561 0.8644 1.3914 1.4000 1.7638 1.7647 2.0432 2.0452 2.1526 2.1568 2.8590 2.8632 3.3305 3.3320 3.6899 3.6973 3.8643 3.8666 3.9754 3.9787 4.1065 4.1067 9.2991 9.3136 9.4036 9.4137 9.9695 9.9738 10.5458 10.5580 11.4044 11.4094 k =-0.3452 0.5594 0.2248 ( 4939 PWs) bands (ev): -12.7958 -12.7949 -12.6181 -12.6181 -11.7615 -11.7603 -10.4622 -10.4533 -9.8674 -9.8544 -9.5316 -9.5090 -3.9959 -3.9899 -3.6479 -3.6453 -2.1225 -2.1187 -1.1448 -1.1288 -1.0446 -0.9849 -0.8479 -0.8036 0.3446 0.3647 0.8693 0.8768 1.3720 1.3823 1.7633 1.7634 2.0178 2.0210 2.1281 2.1328 2.8805 2.8849 3.3273 3.3289 3.7007 3.7074 3.8545 3.8564 3.9737 3.9766 4.0901 4.0905 9.2615 9.2746 9.4140 9.4258 9.9328 9.9372 10.5592 10.5718 11.3794 11.3859 k =-0.3452 0.5594 0.2421 ( 4931 PWs) bands (ev): -12.7901 -12.7892 -12.6197 -12.6197 -11.7333 -11.7323 -10.4489 -10.4404 -9.9239 -9.9117 -9.5568 -9.5353 -3.9223 -3.9154 -3.6481 -3.6460 -2.1966 -2.1915 -1.1893 -1.1799 -0.9604 -0.8988 -0.8085 -0.7619 0.3898 0.4072 0.8833 0.8899 1.3512 1.3632 1.7593 1.7600 1.9871 1.9956 2.1063 2.1113 2.9021 2.9066 3.3247 3.3262 3.7106 3.7168 3.8445 3.8459 3.9709 3.9733 4.0730 4.0736 9.2252 9.2367 9.4296 9.4430 9.9003 9.9048 10.5730 10.5859 11.3429 11.3514 k =-0.3452 0.5594 0.2593 ( 4929 PWs) bands (ev): -12.7842 -12.7832 -12.6215 -12.6214 -11.7031 -11.7022 -10.4346 -10.4264 -9.9824 -9.9708 -9.5833 -9.5628 -3.8460 -3.8381 -3.6461 -3.6444 -2.2704 -2.2643 -1.2431 -1.2372 -0.8717 -0.8101 -0.7607 -0.7133 0.4320 0.4467 0.8980 0.9036 1.3292 1.3426 1.7523 1.7538 1.9534 1.9670 2.0873 2.0923 2.9239 2.9285 3.3226 3.3241 3.7196 3.7252 3.8345 3.8353 3.9669 3.9687 4.0553 4.0562 9.1911 9.2009 9.4507 9.4656 9.8715 9.8761 10.5868 10.6000 11.2976 11.3080 k =-0.3452 0.5594 0.2766 ( 4931 PWs) bands (ev): -12.7780 -12.7771 -12.6235 -12.6234 -11.6709 -11.6702 -10.4192 -10.4115 -10.0425 -10.0315 -9.6108 -9.5914 -3.7674 -3.7584 -3.6417 -3.6405 -2.3438 -2.3368 -1.3025 -1.2991 -0.7810 -0.7193 -0.7065 -0.6594 0.4709 0.4832 0.9131 0.9177 1.3058 1.3204 1.7426 1.7448 1.9168 1.9353 2.0707 2.0755 2.9460 2.9507 3.3210 3.3224 3.7275 3.7326 3.8245 3.8249 3.9616 3.9628 4.0372 4.0383 9.1603 9.1681 9.4772 9.4935 9.8458 9.8505 10.6004 10.6138 11.2457 11.2580 k =-0.3452 0.5594 0.2939 ( 4929 PWs) bands (ev): -12.7717 -12.7707 -12.6257 -12.6255 -11.6368 -11.6362 -10.4028 -10.3955 -10.1038 -10.0934 -9.6393 -9.6210 -3.6870 -3.6767 -3.6348 -3.6338 -2.4163 -2.4087 -1.3659 -1.3646 -0.6900 -0.6461 -0.6271 -0.6011 0.5064 0.5162 0.9283 0.9319 1.2811 1.2966 1.7305 1.7333 1.8777 1.9005 2.0559 2.0601 2.9684 2.9731 3.3200 3.3213 3.7342 3.7389 3.8147 3.8150 3.9551 3.9556 4.0188 4.0201 9.1336 9.1395 9.5092 9.5267 9.8226 9.8275 10.6130 10.6267 11.1894 11.2031 k =-0.3452 0.5594 0.3112 ( 4933 PWs) bands (ev): -12.7652 -12.7642 -12.6281 -12.6279 -11.6008 -11.6004 -10.3853 -10.3785 -10.1661 -10.1564 -9.6686 -9.6515 -3.6272 -3.6253 -3.6021 -3.5932 -2.4879 -2.4796 -1.4331 -1.4326 -0.6040 -0.5754 -0.5389 -0.5339 0.5382 0.5455 0.9431 0.9455 1.2553 1.2713 1.7166 1.7201 1.8365 1.8631 2.0422 2.0455 2.9912 2.9959 3.3195 3.3206 3.7398 3.7441 3.8052 3.8059 3.9470 3.9473 4.0002 4.0017 9.1118 9.1156 9.5464 9.5650 9.8011 9.8063 10.6241 10.6382 11.1306 11.1452 k =-0.3452 0.5594 0.3285 ( 4929 PWs) bands (ev): -12.7586 -12.7576 -12.6307 -12.6304 -11.5628 -11.5626 -10.3668 -10.3605 -10.2292 -10.2201 -9.6985 -9.6826 -3.6145 -3.6131 -3.5192 -3.5084 -2.5583 -2.5495 -1.5040 -1.5019 -0.5292 -0.4892 -0.4733 -0.4404 0.5661 0.5710 0.9565 0.9578 1.2291 1.2451 1.7018 1.7060 1.7938 1.8234 2.0285 2.0307 3.0144 3.0191 3.3195 3.3203 3.7443 3.7483 3.7964 3.7977 3.9372 3.9383 3.9815 3.9833 9.0955 9.0973 9.5886 9.6082 9.7805 9.7862 10.6330 10.6474 11.0709 11.0860 k =-0.3452 0.5594 0.3458 ( 4925 PWs) bands (ev): -12.7519 -12.7509 -12.6335 -12.6332 -11.5230 -11.5230 -10.3473 -10.3417 -10.2927 -10.2842 -9.7291 -9.7143 -3.6001 -3.5982 -3.4342 -3.4224 -2.6273 -2.6182 -1.5772 -1.5736 -0.4575 -0.4044 -0.3968 -0.3473 0.5897 0.5924 0.9668 0.9671 1.2038 1.2190 1.6866 1.6919 1.7504 1.7818 2.0141 2.0148 3.0380 3.0425 3.3198 3.3203 3.7478 3.7516 3.7887 3.7903 3.9263 3.9283 3.9630 3.9649 9.0849 9.0852 9.6356 9.6559 9.7600 9.7662 10.6388 10.6535 11.0121 11.0272 k =-0.3452 0.5594 0.3631 ( 4915 PWs) bands (ev): -12.7451 -12.7442 -12.6366 -12.6363 -11.4816 -11.4813 -10.3573 -10.3496 -10.3258 -10.3211 -9.7601 -9.7465 -3.5831 -3.5806 -3.3481 -3.3356 -2.6948 -2.6854 -1.6523 -1.6473 -0.3843 -0.3328 -0.3037 -0.2550 0.6090 0.6093 0.9706 0.9711 1.1819 1.1953 1.6707 1.6789 1.7082 1.7390 1.9973 1.9980 3.0617 3.0663 3.3202 3.3204 3.7503 3.7541 3.7821 3.7841 3.9145 3.9174 3.9447 3.9468 9.0789 9.0813 9.6864 9.7077 9.7389 9.7455 10.6404 10.6556 10.9561 10.9705 k =-0.3452 0.5594 0.3804 ( 4906 PWs) bands (ev): -12.7383 -12.7374 -12.6399 -12.6395 -11.4383 -11.4379 -10.4211 -10.4137 -10.3046 -10.3002 -9.7914 -9.7789 -3.5633 -3.5601 -3.2612 -3.2481 -2.7606 -2.7511 -1.7291 -1.7228 -0.3088 -0.2586 -0.2115 -0.1642 0.6214 0.6234 0.9643 0.9652 1.1672 1.1777 1.6476 1.6676 1.6752 1.6956 1.9776 1.9799 3.0856 3.0901 3.3204 3.3206 3.7520 3.7560 3.7769 3.7791 3.9019 3.9058 3.9268 3.9289 9.0795 9.0839 9.7127 9.7225 9.7444 9.7637 10.6369 10.6527 10.9046 10.9178 k =-0.3452 0.5594 0.3977 ( 4914 PWs) bands (ev): -12.7316 -12.7306 -12.6435 -12.6431 -11.3934 -11.3926 -10.4851 -10.4782 -10.2820 -10.2782 -9.8229 -9.8116 -3.5408 -3.5369 -3.1738 -3.1602 -2.8247 -2.8150 -1.8074 -1.7999 -0.2310 -0.1821 -0.1210 -0.0756 0.6284 0.6327 0.9443 0.9454 1.1632 1.1698 1.6101 1.6500 1.6600 1.6610 1.9556 1.9594 3.1093 3.1138 3.3200 3.3207 3.7532 3.7576 3.7733 3.7755 3.8886 3.8936 3.9094 3.9116 9.0868 9.0931 9.6874 9.6972 9.8019 9.8225 10.6275 10.6440 10.8592 10.8708 k =-0.3452 0.5594 0.4149 ( 4917 PWs) bands (ev): -12.7248 -12.7239 -12.6473 -12.6468 -11.3467 -11.3457 -10.5488 -10.5425 -10.2583 -10.2553 -9.8545 -9.8443 -3.5154 -3.5110 -3.0861 -3.0721 -2.8868 -2.8771 -1.8871 -1.8785 -0.1513 -0.1038 -0.0330 0.0102 0.6297 0.6364 0.9096 0.9117 1.1696 1.1723 1.5691 1.6076 1.6529 1.6550 1.9311 1.9364 3.1327 3.1372 3.3189 3.3201 3.7543 3.7593 3.7712 3.7734 3.8750 3.8809 3.8926 3.8948 9.1007 9.1088 9.6574 9.6683 9.8633 9.8841 10.6114 10.6286 10.8215 10.8311 k =-0.3452 0.5594 0.4322 ( 4910 PWs) bands (ev): -12.7182 -12.7173 -12.6514 -12.6509 -11.2983 -11.2971 -10.6122 -10.6064 -10.2337 -10.2313 -9.8861 -9.8770 -3.4873 -3.4823 -2.9984 -2.9841 -2.9467 -2.9372 -1.9680 -1.9584 -0.0699 -0.0240 0.0517 0.0925 0.6250 0.6342 0.8625 0.8666 1.1832 1.1840 1.5288 1.5652 1.6507 1.6539 1.9046 1.9110 3.1556 3.1601 3.3168 3.3186 3.7556 3.7614 3.7706 3.7728 3.8612 3.8680 3.8765 3.8787 9.1210 9.1308 9.6232 9.6353 9.9270 9.9478 10.5884 10.6062 10.7924 10.7999 k =-0.3452 0.5594 0.4495 ( 4915 PWs) bands (ev): -12.7116 -12.7107 -12.6557 -12.6551 -11.2484 -11.2469 -10.6750 -10.6697 -10.2080 -10.2065 -9.9175 -9.9096 -3.4565 -3.4508 -3.0055 -2.9958 -2.9097 -2.8955 -2.0500 -2.0395 0.0128 0.0570 0.1326 0.1708 0.6139 0.6256 0.8059 0.8128 1.1996 1.2035 1.4901 1.5239 1.6531 1.6573 1.8762 1.8837 3.1777 3.1823 3.3133 3.3157 3.7576 3.7641 3.7716 3.7738 3.8475 3.8550 3.8613 3.8634 9.1474 9.1588 9.5846 9.5979 9.9923 10.0129 10.5584 10.5766 10.7724 10.7782 k =-0.3452 0.5594 0.4668 ( 4909 PWs) bands (ev): -12.7052 -12.7043 -12.6603 -12.6597 -11.1969 -11.1950 -10.7372 -10.7323 -10.1815 -10.1807 -9.9488 -9.9419 -3.4229 -3.4166 -3.0614 -3.0519 -2.8219 -2.8075 -2.1330 -2.1217 0.0962 0.1386 0.2090 0.2445 0.5959 0.6104 0.7421 0.7522 1.2198 1.2267 1.4531 1.4841 1.6601 1.6653 1.8467 1.8549 3.1988 3.2034 3.3083 3.3112 3.7607 3.7679 3.7741 3.7764 3.8341 3.8422 3.8470 3.8491 9.1795 9.1923 9.5421 9.5564 10.0586 10.0788 10.5217 10.5400 10.7620 10.7662 k =-0.3452 0.5594 0.4841 ( 4912 PWs) bands (ev): -12.6989 -12.6980 -12.6651 -12.6645 -11.1439 -11.1417 -10.7985 -10.7940 -10.1541 -10.1540 -9.9797 -9.9739 -3.3866 -3.3798 -3.1151 -3.1058 -2.7342 -2.7198 -2.2169 -2.2049 0.1800 0.2203 0.2802 0.3128 0.5707 0.5882 0.6732 0.6863 1.2428 1.2525 1.4180 1.4459 1.6718 1.6779 1.8167 1.8253 3.2186 3.2233 3.3014 3.3048 3.7651 3.7729 3.7781 3.7805 3.8213 3.8296 3.8336 3.8357 9.2167 9.2306 9.4964 9.5115 10.1249 10.1448 10.4785 10.4967 10.7610 10.7641 k =-0.3452 0.5594 0.5014 ( 4918 PWs) bands (ev): -12.6927 -12.6919 -12.6702 -12.6695 -11.0895 -11.0870 -10.8589 -10.8549 -10.1267 -10.1258 -10.0102 -10.0055 -3.3477 -3.3404 -3.1665 -3.1575 -2.6468 -2.6325 -2.3016 -2.2889 0.2631 0.3017 0.3456 0.3755 0.5376 0.5587 0.6012 0.6162 1.2678 1.2803 1.3846 1.4094 1.6880 1.6949 1.7870 1.7958 3.2370 3.2416 3.2925 3.2963 3.7708 3.7792 3.7834 3.7862 3.8094 3.8176 3.8214 3.8235 9.2581 9.2730 9.4484 9.4641 10.1906 10.2100 10.4294 10.4476 10.7691 10.7713 k =-0.3452 0.5594 0.5187 ( 4918 PWs) bands (ev): -12.6868 -12.6860 -12.6755 -12.6748 -11.0337 -11.0308 -10.9183 -10.9147 -10.0986 -10.0967 -10.0403 -10.0365 -3.3062 -3.2984 -3.2155 -3.2069 -2.5597 -2.5457 -2.3870 -2.3738 0.3442 0.3817 0.4035 0.4320 0.4951 0.5205 0.5310 0.5447 1.2945 1.3101 1.3530 1.3746 1.7082 1.7159 1.7585 1.7671 3.2537 3.2583 3.2816 3.2857 3.7779 3.7869 3.7890 3.7932 3.7997 3.8066 3.8104 3.8123 9.3031 9.3186 9.3994 9.4153 10.2548 10.2738 10.3751 10.3935 10.7858 10.7871 k =-0.3452 0.5594 0.5360 ( 4920 PWs) bands (ev): -12.6810 -12.6810 -12.6803 -12.6803 -10.9766 -10.9766 -10.9734 -10.9734 -10.0697 -10.0697 -10.0669 -10.0669 -3.2621 -3.2621 -3.2539 -3.2539 -2.4731 -2.4731 -2.4594 -2.4594 0.4154 0.4154 0.4569 0.4569 0.4758 0.4758 0.4870 0.4870 1.3230 1.3230 1.3415 1.3415 1.7320 1.7320 1.7402 1.7402 3.2686 3.2686 3.2730 3.2730 3.7859 3.7859 3.7954 3.7954 3.8013 3.8013 3.8029 3.8029 9.3506 9.3506 9.3664 9.3664 10.3166 10.3166 10.3353 10.3353 10.8101 10.8101 k =-0.3452 0.5594 0.5360 ( 4920 PWs) bands (ev): -12.6810 -12.6810 -12.6803 -12.6803 -10.9766 -10.9766 -10.9734 -10.9734 -10.0697 -10.0697 -10.0669 -10.0669 -3.2621 -3.2621 -3.2539 -3.2539 -2.4731 -2.4731 -2.4594 -2.4594 0.4154 0.4154 0.4569 0.4569 0.4758 0.4758 0.4870 0.4870 1.3230 1.3230 1.3415 1.3415 1.7320 1.7320 1.7402 1.7402 3.2686 3.2686 3.2730 3.2730 3.7859 3.7859 3.7954 3.7954 3.8013 3.8013 3.8029 3.8029 9.3506 9.3506 9.3664 9.3664 10.3166 10.3166 10.3353 10.3353 10.8101 10.8101 k =-0.3538 0.5454 0.5360 ( 4920 PWs) bands (ev): -12.6761 -12.6761 -12.6754 -12.6754 -11.0028 -11.0028 -10.9998 -10.9998 -10.0433 -10.0433 -10.0406 -10.0406 -3.3234 -3.3234 -3.3160 -3.3160 -2.4182 -2.4182 -2.4044 -2.4044 0.4225 0.4225 0.4641 0.4641 0.4831 0.4831 0.4928 0.4928 1.3195 1.3195 1.3368 1.3368 1.7380 1.7380 1.7462 1.7462 3.2568 3.2568 3.2611 3.2611 3.7760 3.7760 3.7834 3.7834 3.8132 3.8132 3.8166 3.8166 9.3358 9.3358 9.3515 9.3515 10.3222 10.3222 10.3397 10.3397 10.8213 10.8214 k =-0.3624 0.5315 0.5360 ( 4908 PWs) bands (ev): -12.6714 -12.6714 -12.6707 -12.6707 -11.0277 -11.0277 -11.0248 -11.0248 -10.0174 -10.0174 -10.0147 -10.0147 -3.3829 -3.3829 -3.3761 -3.3761 -2.3657 -2.3657 -2.3519 -2.3519 0.4300 0.4300 0.4715 0.4715 0.4904 0.4904 0.4985 0.4985 1.3141 1.3141 1.3300 1.3300 1.7457 1.7457 1.7538 1.7538 3.2441 3.2441 3.2483 3.2483 3.7640 3.7640 3.7707 3.7707 3.8287 3.8287 3.8324 3.8324 9.3194 9.3194 9.3349 9.3349 10.3284 10.3284 10.3448 10.3448 10.8358 10.8358 k =-0.3710 0.5176 0.5360 ( 4912 PWs) bands (ev): -12.6670 -12.6670 -12.6664 -12.6664 -11.0513 -11.0513 -11.0485 -11.0485 -9.9921 -9.9921 -9.9895 -9.9895 -3.4402 -3.4402 -3.4341 -3.4341 -2.3156 -2.3156 -2.3020 -2.3020 0.4378 0.4378 0.4788 0.4788 0.4978 0.4978 0.5047 0.5047 1.3068 1.3068 1.3213 1.3213 1.7548 1.7548 1.7627 1.7627 3.2307 3.2307 3.2348 3.2348 3.7523 3.7523 3.7586 3.7586 3.8453 3.8453 3.8489 3.8489 9.3016 9.3016 9.3167 9.3167 10.3357 10.3357 10.3508 10.3508 10.8536 10.8536 k =-0.3796 0.5036 0.5360 ( 4908 PWs) bands (ev): -12.6629 -12.6629 -12.6623 -12.6623 -11.0734 -11.0734 -11.0708 -11.0708 -9.9675 -9.9675 -9.9650 -9.9650 -3.4952 -3.4952 -3.4896 -3.4896 -2.2681 -2.2681 -2.2547 -2.2547 0.4458 0.4458 0.4856 0.4856 0.5055 0.5055 0.5118 0.5118 1.2976 1.2976 1.3107 1.3107 1.7650 1.7650 1.7727 1.7727 3.2169 3.2169 3.2208 3.2208 3.7412 3.7412 3.7471 3.7471 3.8624 3.8624 3.8660 3.8660 9.2830 9.2830 9.2976 9.2976 10.3443 10.3443 10.3582 10.3582 10.8742 10.8742 k =-0.3882 0.4897 0.5360 ( 4910 PWs) bands (ev): -12.6591 -12.6591 -12.6585 -12.6585 -11.0942 -11.0942 -11.0917 -11.0917 -9.9438 -9.9438 -9.9414 -9.9414 -3.5475 -3.5475 -3.5426 -3.5426 -2.2234 -2.2234 -2.2103 -2.2103 0.4538 0.4538 0.4914 0.4914 0.5137 0.5137 0.5202 0.5202 1.2868 1.2868 1.2983 1.2983 1.7761 1.7761 1.7836 1.7836 3.2027 3.2027 3.2064 3.2064 3.7307 3.7307 3.7362 3.7362 3.8798 3.8798 3.8832 3.8832 9.2638 9.2638 9.2778 9.2778 10.3544 10.3544 10.3671 10.3671 10.8969 10.8969 k =-0.3968 0.4758 0.5360 ( 4902 PWs) bands (ev): -12.6555 -12.6555 -12.6550 -12.6550 -11.1134 -11.1134 -11.1112 -11.1112 -9.9212 -9.9212 -9.9189 -9.9189 -3.5971 -3.5971 -3.5926 -3.5926 -2.1815 -2.1815 -2.1689 -2.1689 0.4617 0.4617 0.4961 0.4961 0.5227 0.5227 0.5302 0.5302 1.2743 1.2743 1.2844 1.2844 1.7879 1.7879 1.7951 1.7951 3.1883 3.1883 3.1918 3.1918 3.7208 3.7208 3.7260 3.7260 3.8972 3.8972 3.9004 3.9004 9.2445 9.2445 9.2578 9.2578 10.3661 10.3661 10.3776 10.3776 10.9212 10.9212 k =-0.4054 0.4618 0.5360 ( 4906 PWs) bands (ev): -12.6523 -12.6523 -12.6518 -12.6518 -11.1312 -11.1312 -11.1292 -11.1292 -9.8997 -9.8997 -9.8976 -9.8976 -3.6436 -3.6436 -3.6396 -3.6396 -2.1426 -2.1426 -2.1305 -2.1305 0.4691 0.4691 0.4998 0.4998 0.5326 0.5326 0.5416 0.5416 1.2604 1.2604 1.2691 1.2691 1.8001 1.8001 1.8070 1.8070 3.1740 3.1740 3.1773 3.1773 3.7117 3.7117 3.7166 3.7166 3.9143 3.9143 3.9173 3.9173 9.2256 9.2256 9.2380 9.2380 10.3794 10.3794 10.3897 10.3897 10.9463 10.9463 k =-0.4140 0.4479 0.5360 ( 4906 PWs) bands (ev): -12.6493 -12.6493 -12.6489 -12.6489 -11.1476 -11.1476 -11.1457 -11.1457 -9.8795 -9.8795 -9.8776 -9.8776 -3.6868 -3.6868 -3.6833 -3.6833 -2.1067 -2.1067 -2.0952 -2.0952 0.4759 0.4759 0.5026 0.5026 0.5437 0.5437 0.5541 0.5541 1.2455 1.2455 1.2527 1.2527 1.8124 1.8124 1.8189 1.8189 3.1600 3.1600 3.1631 3.1631 3.7033 3.7033 3.7078 3.7078 3.9309 3.9309 3.9336 3.9336 9.2072 9.2072 9.2187 9.2187 10.3941 10.3941 10.4033 10.4033 10.9717 10.9717 k =-0.4226 0.4340 0.5360 ( 4918 PWs) bands (ev): -12.6466 -12.6466 -12.6462 -12.6462 -11.1624 -11.1624 -11.1607 -11.1607 -9.8608 -9.8608 -9.8590 -9.8590 -3.7266 -3.7266 -3.7236 -3.7236 -2.0739 -2.0739 -2.0632 -2.0632 0.4818 0.4818 0.5048 0.5048 0.5558 0.5558 0.5673 0.5673 1.2297 1.2297 1.2356 1.2356 1.8247 1.8247 1.8307 1.8307 3.1465 3.1465 3.1493 3.1493 3.6957 3.6957 3.6998 3.6998 3.9467 3.9467 3.9492 3.9492 9.1897 9.1897 9.2003 9.2003 10.4101 10.4101 10.4181 10.4181 10.9968 10.9968 k =-0.4312 0.4200 0.5360 ( 4922 PWs) bands (ev): -12.6442 -12.6442 -12.6438 -12.6438 -11.1757 -11.1757 -11.1741 -11.1741 -9.8436 -9.8436 -9.8420 -9.8420 -3.7628 -3.7628 -3.7601 -3.7601 -2.0443 -2.0443 -2.0345 -2.0345 0.4870 0.4870 0.5065 0.5065 0.5688 0.5688 0.5809 0.5809 1.2135 1.2135 1.2180 1.2180 1.8365 1.8365 1.8421 1.8421 3.1337 3.1337 3.1362 3.1362 3.6889 3.6889 3.6925 3.6925 3.9615 3.9615 3.9637 3.9637 9.1735 9.1735 9.1830 9.1830 10.4270 10.4270 10.4340 10.4340 11.0210 11.0210 k =-0.4398 0.4061 0.5360 ( 4920 PWs) bands (ev): -12.6421 -12.6421 -12.6418 -12.6418 -11.1874 -11.1874 -11.1861 -11.1861 -9.8281 -9.8281 -9.8267 -9.8267 -3.7951 -3.7951 -3.7929 -3.7929 -2.0179 -2.0179 -2.0091 -2.0091 0.4915 0.4915 0.5079 0.5079 0.5824 0.5824 0.5945 0.5945 1.1972 1.1972 1.2005 1.2005 1.8478 1.8478 1.8528 1.8528 3.1218 3.1218 3.1241 3.1241 3.6828 3.6828 3.6861 3.6861 3.9750 3.9750 3.9770 3.9770 9.1587 9.1587 9.1671 9.1671 10.4444 10.4444 10.4503 10.4503 11.0438 11.0438 k =-0.4484 0.3922 0.5360 ( 4920 PWs) bands (ev): -12.6402 -12.6402 -12.6400 -12.6400 -11.1976 -11.1976 -11.1964 -11.1964 -9.8145 -9.8145 -9.8132 -9.8132 -3.8234 -3.8234 -3.8216 -3.8216 -1.9949 -1.9949 -1.9871 -1.9871 0.4952 0.4952 0.5088 0.5088 0.5961 0.5961 0.6078 0.6078 1.1812 1.1812 1.1836 1.1836 1.8582 1.8582 1.8626 1.8626 3.1111 3.1111 3.1130 3.1130 3.6775 3.6775 3.6804 3.6804 3.9872 3.9872 3.9889 3.9889 9.1455 9.1455 9.1528 9.1528 10.4617 10.4617 10.4666 10.4666 11.0647 11.0647 k =-0.4570 0.3782 0.5360 ( 4918 PWs) bands (ev): -12.6387 -12.6387 -12.6384 -12.6384 -11.2062 -11.2062 -11.2053 -11.2053 -9.8027 -9.8027 -9.8016 -9.8016 -3.8477 -3.8477 -3.8461 -3.8461 -1.9752 -1.9752 -1.9686 -1.9686 0.4984 0.4984 0.5094 0.5094 0.6095 0.6095 0.6201 0.6201 1.1662 1.1662 1.1677 1.1677 1.8675 1.8675 1.8713 1.8713 3.1016 3.1016 3.1032 3.1032 3.6731 3.6731 3.6755 3.6755 3.9978 3.9978 3.9992 3.9992 9.1342 9.1342 9.1403 9.1403 10.4783 10.4783 10.4823 10.4823 11.0832 11.0832 k =-0.4656 0.3643 0.5360 ( 4926 PWs) bands (ev): -12.6374 -12.6374 -12.6372 -12.6372 -11.2133 -11.2133 -11.2125 -11.2125 -9.7929 -9.7929 -9.7920 -9.7920 -3.8676 -3.8676 -3.8664 -3.8664 -1.9589 -1.9589 -1.9535 -1.9535 0.5012 0.5012 0.5097 0.5097 0.6219 0.6219 0.6311 0.6311 1.1527 1.1527 1.1535 1.1535 1.8755 1.8755 1.8786 1.8786 3.0936 3.0936 3.0949 3.0949 3.6695 3.6695 3.6714 3.6714 4.0067 4.0067 4.0078 4.0078 9.1248 9.1248 9.1298 9.1298 10.4934 10.4934 10.4964 10.4964 11.0990 11.0990 k =-0.4742 0.3504 0.5360 ( 4932 PWs) bands (ev): -12.6364 -12.6364 -12.6362 -12.6362 -11.2188 -11.2188 -11.2182 -11.2182 -9.7852 -9.7852 -9.7845 -9.7845 -3.8833 -3.8833 -3.8824 -3.8824 -1.9460 -1.9460 -1.9420 -1.9420 0.5034 0.5034 0.5097 0.5097 0.6328 0.6328 0.6401 0.6401 1.1412 1.1412 1.1416 1.1416 1.8820 1.8820 1.8844 1.8844 3.0873 3.0873 3.0882 3.0882 3.6667 3.6667 3.6682 3.6682 4.0138 4.0138 4.0146 4.0146 9.1176 9.1176 9.1213 9.1213 10.5062 10.5062 10.5084 10.5084 11.1117 11.1117 k =-0.4828 0.3364 0.5360 ( 4936 PWs) bands (ev): -12.6357 -12.6357 -12.6356 -12.6356 -11.2226 -11.2226 -11.2223 -11.2223 -9.7796 -9.7796 -9.7791 -9.7791 -3.8944 -3.8944 -3.8939 -3.8939 -1.9366 -1.9366 -1.9339 -1.9339 0.5053 0.5053 0.5094 0.5094 0.6415 0.6415 0.6466 0.6466 1.1325 1.1325 1.1326 1.1326 1.8869 1.8869 1.8885 1.8885 3.0827 3.0827 3.0833 3.0833 3.6648 3.6648 3.6658 3.6658 4.0189 4.0189 4.0195 4.0195 9.1125 9.1125 9.1150 9.1150 10.5161 10.5161 10.5175 10.5175 11.1210 11.1210 k =-0.4914 0.3225 0.5360 ( 4940 PWs) bands (ev): -12.6352 -12.6352 -12.6352 -12.6352 -11.2249 -11.2249 -11.2247 -11.2247 -9.7761 -9.7761 -9.7759 -9.7759 -3.9011 -3.9011 -3.9008 -3.9008 -1.9307 -1.9307 -1.9293 -1.9293 0.5068 0.5068 0.5089 0.5089 0.6476 0.6476 0.6502 0.6502 1.1269 1.1269 1.1269 1.1269 1.8901 1.8901 1.8909 1.8909 3.0800 3.0800 3.0803 3.0803 3.6638 3.6638 3.6643 3.6643 4.0221 4.0221 4.0224 4.0224 9.1097 9.1097 9.1110 9.1110 10.5224 10.5224 10.5231 10.5231 11.1267 11.1268 k =-0.5000 0.3086 0.5360 ( 4960 PWs) bands (ev): -12.6351 -12.6351 -12.6351 -12.6351 -11.2256 -11.2256 -11.2256 -11.2256 -9.7749 -9.7749 -9.7749 -9.7749 -3.9032 -3.9032 -3.9032 -3.9032 -1.9283 -1.9283 -1.9283 -1.9283 0.5080 0.5080 0.5080 0.5080 0.6505 0.6505 0.6505 0.6505 1.1250 1.1250 1.1250 1.1250 1.8914 1.8914 1.8914 1.8914 3.0791 3.0791 3.0791 3.0791 3.6636 3.6636 3.6636 3.6636 4.0232 4.0232 4.0232 4.0232 9.1092 9.1092 9.1092 9.1092 10.5248 10.5248 10.5248 10.5248 11.1288 11.1288 k =-0.5000 0.3086 0.5360 ( 4960 PWs) bands (ev): -12.6351 -12.6351 -12.6351 -12.6351 -11.2256 -11.2256 -11.2256 -11.2256 -9.7749 -9.7749 -9.7749 -9.7749 -3.9032 -3.9032 -3.9032 -3.9032 -1.9283 -1.9283 -1.9283 -1.9283 0.5080 0.5080 0.5080 0.5080 0.6505 0.6505 0.6505 0.6505 1.1250 1.1250 1.1250 1.1250 1.8914 1.8914 1.8914 1.8914 3.0791 3.0791 3.0791 3.0791 3.6636 3.6636 3.6636 3.6636 4.0232 4.0232 4.0232 4.0232 9.1092 9.1092 9.1092 9.1092 10.5248 10.5248 10.5248 10.5248 11.1288 11.1288 k =-0.5000 0.3086 0.5187 ( 4940 PWs) bands (ev): -12.6382 -12.6382 -12.6321 -12.6321 -11.2855 -11.2855 -11.1645 -11.1645 -9.7807 -9.7807 -9.7692 -9.7692 -3.9061 -3.9061 -3.8969 -3.8969 -2.0400 -2.0400 -1.8186 -1.8186 0.4947 0.4947 0.5137 0.5137 0.6005 0.6005 0.7031 0.7031 1.0736 1.0736 1.1780 1.1780 1.8825 1.8825 1.8983 1.8983 3.0637 3.0637 3.0933 3.0933 3.6584 3.6584 3.6706 3.6706 4.0146 4.0146 4.0330 4.0330 9.1047 9.1047 9.1211 9.1211 10.5025 10.5025 10.5382 10.5382 11.0858 11.0858 k =-0.5000 0.3086 0.5014 ( 4936 PWs) bands (ev): -12.6414 -12.6414 -12.6292 -12.6292 -11.3439 -11.3439 -11.1021 -11.1021 -9.7866 -9.7866 -9.7636 -9.7636 -3.9054 -3.9054 -3.8870 -3.8870 -2.1535 -2.1535 -1.7112 -1.7112 0.4751 0.4751 0.5067 0.5067 0.5581 0.5581 0.7560 0.7560 1.0244 1.0244 1.2319 1.2319 1.8712 1.8712 1.9037 1.9037 3.0471 3.0471 3.1060 3.1060 3.6552 3.6552 3.6793 3.6793 4.0072 4.0072 4.0438 4.0438 9.1075 9.1075 9.1405 9.1405 10.4712 10.4712 10.5434 10.5434 11.0452 11.0452 k =-0.5000 0.3086 0.4841 ( 4948 PWs) bands (ev): -12.6448 -12.6448 -12.6265 -12.6265 -11.4008 -11.4008 -11.0385 -11.0385 -9.7926 -9.7926 -9.7582 -9.7582 -3.9012 -3.9012 -3.8736 -3.8736 -2.2685 -2.2685 -1.6064 -1.6064 0.4495 0.4495 0.4773 0.4773 0.5334 0.5334 0.8063 0.8063 0.9804 0.9804 1.2867 1.2867 1.8574 1.8574 1.9082 1.9082 3.0294 3.0294 3.1176 3.1176 3.6538 3.6538 3.6893 3.6893 4.0010 4.0010 4.0556 4.0556 9.1173 9.1173 9.1671 9.1671 10.4311 10.4311 10.5413 10.5413 11.0071 11.0071 k =-0.5000 0.3086 0.4668 ( 4944 PWs) bands (ev): -12.6483 -12.6483 -12.6240 -12.6240 -11.4561 -11.4561 -10.9738 -10.9738 -9.7986 -9.7986 -9.7528 -9.7528 -3.8934 -3.8934 -3.8568 -3.8568 -2.3846 -2.3846 -1.5044 -1.5044 0.4173 0.4173 0.4359 0.4359 0.5166 0.5166 0.8420 0.8420 0.9530 0.9530 1.3420 1.3420 1.8411 1.8411 1.9124 1.9124 3.0109 3.0109 3.1281 3.1281 3.6541 3.6541 3.7001 3.7001 3.9962 3.9962 4.0682 4.0682 9.1341 9.1341 9.2009 9.2009 10.3827 10.3827 10.5331 10.5331 10.9720 10.9720 k =-0.5000 0.3086 0.4495 ( 4934 PWs) bands (ev): -12.6518 -12.6518 -12.6216 -12.6216 -11.5099 -11.5099 -10.9082 -10.9082 -9.8046 -9.8046 -9.7477 -9.7477 -3.8822 -3.8822 -3.8365 -3.8365 -2.5017 -2.5017 -1.4054 -1.4054 0.3777 0.3777 0.3947 0.3947 0.4966 0.4966 0.8355 0.8355 0.9699 0.9699 1.3977 1.3977 1.8223 1.8223 1.9170 1.9170 2.9920 2.9920 3.1378 3.1378 3.6557 3.6557 3.7113 3.7113 3.9928 3.9928 4.0815 4.0815 9.1573 9.1573 9.2416 9.2416 10.3270 10.3270 10.5197 10.5197 10.9401 10.9401 k =-0.5000 0.3086 0.4322 ( 4936 PWs) bands (ev): -12.6555 -12.6555 -12.6194 -12.6194 -11.5619 -11.5619 -10.8418 -10.8418 -9.8106 -9.8106 -9.7426 -9.7426 -3.8676 -3.8676 -3.8129 -3.8129 -2.6193 -2.6193 -1.3096 -1.3096 0.3339 0.3339 0.3536 0.3536 0.4703 0.4703 0.8002 0.8002 1.0176 1.0176 1.4535 1.4535 1.8013 1.8013 1.9228 1.9228 2.9729 2.9729 3.1469 3.1469 3.6583 3.6583 3.7223 3.7223 3.9908 3.9908 4.0955 4.0955 9.1866 9.1866 9.2888 9.2888 10.2651 10.2651 10.5021 10.5021 10.9117 10.9117 k =-0.5000 0.3086 0.4149 ( 4948 PWs) bands (ev): -12.6592 -12.6592 -12.6173 -12.6173 -11.6123 -11.6123 -10.7746 -10.7746 -9.8166 -9.8166 -9.7378 -9.7378 -3.8496 -3.8496 -3.7860 -3.7860 -2.7371 -2.7371 -1.2171 -1.2171 0.2892 0.2892 0.3101 0.3101 0.4372 0.4372 0.7584 0.7584 1.0736 1.0736 1.5094 1.5094 1.7784 1.7784 1.9302 1.9302 2.9540 2.9540 3.1555 3.1555 3.6615 3.6615 3.7325 3.7325 3.9904 3.9904 4.1100 4.1100 9.2213 9.2213 9.3421 9.3421 10.1980 10.1980 10.4814 10.4814 10.8870 10.8870 k =-0.5000 0.3086 0.3977 ( 4952 PWs) bands (ev): -12.6629 -12.6629 -12.6154 -12.6154 -11.6608 -11.6608 -10.7069 -10.7069 -9.8226 -9.8226 -9.7332 -9.7332 -3.8282 -3.8282 -3.7559 -3.7559 -2.8548 -2.8548 -1.1283 -1.1283 0.2441 0.2441 0.2639 0.2639 0.3971 0.3971 0.7155 0.7155 1.1321 1.1321 1.5650 1.5650 1.7542 1.7542 1.9398 1.9398 2.9354 2.9354 3.1639 3.1639 3.6650 3.6650 3.7416 3.7416 3.9914 3.9914 4.1250 4.1250 9.2610 9.2610 9.4011 9.4011 10.1268 10.1268 10.4583 10.4583 10.8665 10.8665 k =-0.5000 0.3086 0.3804 ( 4956 PWs) bands (ev): -12.6667 -12.6667 -12.6137 -12.6137 -11.7076 -11.7076 -10.6388 -10.6388 -9.8285 -9.8285 -9.7287 -9.7287 -3.8037 -3.8037 -3.7227 -3.7227 -2.9721 -2.9721 -1.0431 -1.0431 0.1970 0.1970 0.2171 0.2171 0.3503 0.3503 0.6732 0.6732 1.1917 1.1917 1.6198 1.6198 1.7294 1.7294 1.9518 1.9518 2.9176 2.9176 3.1721 3.1721 3.6686 3.6686 3.7490 3.7490 3.9939 3.9939 4.1402 4.1402 9.3049 9.3049 9.4652 9.4652 10.0527 10.0527 10.4335 10.4335 10.8505 10.8505 k =-0.5000 0.3086 0.3631 ( 4956 PWs) bands (ev): -12.6705 -12.6705 -12.6121 -12.6121 -11.7525 -11.7525 -10.5705 -10.5705 -9.8343 -9.8343 -9.7244 -9.7244 -3.7760 -3.7760 -3.6865 -3.6865 -3.0886 -3.0886 -0.9616 -0.9616 0.1445 0.1445 0.1731 0.1731 0.2972 0.2972 0.6319 0.6319 1.2514 1.2514 1.6696 1.6696 1.7085 1.7085 1.9664 1.9664 2.9005 2.9005 3.1804 3.1804 3.6719 3.6719 3.7544 3.7544 3.9979 3.9979 4.1558 4.1558 9.3522 9.3522 9.5339 9.5339 9.9764 9.9764 10.4076 10.4076 10.8394 10.8394 k =-0.5000 0.3086 0.3458 ( 4944 PWs) bands (ev): -12.6743 -12.6743 -12.6106 -12.6106 -11.7955 -11.7955 -10.5021 -10.5021 -9.8400 -9.8400 -9.7204 -9.7204 -3.7453 -3.7453 -3.6474 -3.6474 -3.2039 -3.2039 -0.8840 -0.8840 0.0863 0.0863 0.1321 0.1321 0.2385 0.2385 0.5919 0.5919 1.3109 1.3109 1.6704 1.6704 1.7358 1.7358 1.9837 1.9837 2.8843 2.8843 3.1886 3.1886 3.6748 3.6748 3.7575 3.7575 4.0034 4.0034 4.1714 4.1714 9.4021 9.4021 9.6064 9.6064 9.8989 9.8989 10.3810 10.3810 10.8335 10.8335 k =-0.5000 0.3086 0.3285 ( 4936 PWs) bands (ev): -12.6780 -12.6780 -12.6093 -12.6093 -11.8366 -11.8366 -10.4339 -10.4339 -9.8456 -9.8456 -9.7165 -9.7165 -3.7117 -3.7117 -3.6055 -3.6055 -3.3178 -3.3178 -0.8104 -0.8104 0.0237 0.0237 0.0928 0.0928 0.1754 0.1754 0.5534 0.5534 1.3698 1.3698 1.6462 1.6462 1.7875 1.7875 2.0036 2.0036 2.8691 2.8691 3.1970 3.1970 3.6772 3.6772 3.7581 3.7581 4.0103 4.0103 4.1871 4.1871 9.4537 9.4537 9.6821 9.6821 9.8209 9.8209 10.3542 10.3542 10.8333 10.8333 k =-0.5000 0.3086 0.3112 ( 4936 PWs) bands (ev): -12.6817 -12.6817 -12.6082 -12.6082 -11.8758 -11.8758 -10.3661 -10.3661 -9.8510 -9.8510 -9.7129 -9.7129 -3.6754 -3.6754 -3.5611 -3.5611 -3.4297 -3.4297 -0.7407 -0.7407 -0.0426 -0.0426 0.0527 0.0527 0.1107 0.1107 0.5164 0.5164 1.4275 1.4275 1.6212 1.6212 1.8398 1.8398 2.0260 2.0260 2.8549 2.8549 3.2054 3.2054 3.6789 3.6789 3.7561 3.7561 4.0185 4.0185 4.2026 4.2026 9.5060 9.5060 9.7431 9.7431 9.7603 9.7603 10.3274 10.3274 10.8391 10.8391 k =-0.5000 0.3086 0.2939 ( 4940 PWs) bands (ev): -12.6853 -12.6853 -12.6071 -12.6071 -11.9130 -11.9130 -10.2989 -10.2989 -9.8563 -9.8563 -9.7094 -9.7094 -3.6366 -3.6366 -3.5394 -3.5394 -3.5142 -3.5142 -0.6751 -0.6751 -0.1121 -0.1121 0.0041 0.0041 0.0524 0.0524 0.4811 0.4811 1.4836 1.4836 1.5972 1.5972 1.8911 1.8911 2.0507 2.0507 2.8418 2.8418 3.2140 3.2140 3.6799 3.6799 3.7515 3.7515 4.0280 4.0280 4.2180 4.2180 9.5581 9.5581 9.6662 9.6662 9.8402 9.8402 10.3010 10.3010 10.8513 10.8513 k =-0.5000 0.3086 0.2766 ( 4934 PWs) bands (ev): -12.6889 -12.6889 -12.6062 -12.6062 -11.9481 -11.9481 -10.2327 -10.2327 -9.8614 -9.8614 -9.7062 -9.7062 -3.6469 -3.6469 -3.5950 -3.5950 -3.4651 -3.4651 -0.6134 -0.6134 -0.1843 -0.1843 -0.0615 -0.0615 0.0098 0.0098 0.4476 0.4476 1.5351 1.5351 1.5770 1.5770 1.9412 1.9412 2.0773 2.0773 2.8297 2.8297 3.2226 3.2226 3.6802 3.6802 3.7441 3.7441 4.0385 4.0385 4.2332 4.2332 9.5891 9.5891 9.6106 9.6106 9.9211 9.9211 10.2752 10.2752 10.8702 10.8702 k =-0.5000 0.3086 0.2593 ( 4934 PWs) bands (ev): -12.6923 -12.6923 -12.6054 -12.6054 -11.9813 -11.9813 -10.1677 -10.1677 -9.8663 -9.8663 -9.7031 -9.7031 -3.7506 -3.7506 -3.5519 -3.5519 -3.4140 -3.4140 -0.5559 -0.5559 -0.2586 -0.2586 -0.1368 -0.1368 -0.0235 -0.0235 0.4158 0.4158 1.5448 1.5448 1.5981 1.5981 1.9898 1.9898 2.1056 2.1056 2.8186 2.8186 3.2313 3.2313 3.6799 3.6799 3.7341 3.7341 4.0501 4.0501 4.2479 4.2479 9.5162 9.5162 9.6588 9.6588 10.0022 10.0022 10.2503 10.2503 10.8960 10.8960 k =-0.5000 0.3086 0.2421 ( 4930 PWs) bands (ev): -12.6957 -12.6957 -12.6047 -12.6047 -12.0124 -12.0124 -10.1041 -10.1041 -9.8710 -9.8710 -9.7003 -9.7003 -3.8511 -3.8511 -3.5069 -3.5069 -3.3612 -3.3612 -0.5028 -0.5028 -0.3342 -0.3342 -0.2158 -0.2158 -0.0527 -0.0527 0.3859 0.3859 1.5259 1.5259 1.6471 1.6471 2.0365 2.0365 2.1353 2.1353 2.8085 2.8085 3.2401 3.2401 3.6790 3.6790 3.7216 3.7216 4.0624 4.0624 4.2621 4.2621 9.4447 9.4447 9.7052 9.7052 10.0826 10.0826 10.2267 10.2267 10.9287 10.9287 k =-0.5000 0.3086 0.2248 ( 4930 PWs) bands (ev): -12.6989 -12.6989 -12.6041 -12.6041 -12.0414 -12.0414 -10.0425 -10.0425 -9.8754 -9.8754 -9.6977 -9.6977 -3.9476 -3.9476 -3.4604 -3.4604 -3.3071 -3.3071 -0.4570 -0.4570 -0.4079 -0.4079 -0.2961 -0.2961 -0.0793 -0.0793 0.3578 0.3578 1.5068 1.5068 1.6954 1.6954 2.0812 2.0812 2.1659 2.1659 2.7994 2.7994 3.2489 3.2489 3.6775 3.6775 3.7068 3.7068 4.0753 4.0753 4.2758 4.2758 9.3759 9.3759 9.7484 9.7484 10.1600 10.1600 10.2061 10.2061 10.9682 10.9682 k =-0.5000 0.3086 0.2075 ( 4926 PWs) bands (ev): -12.7019 -12.7019 -12.6036 -12.6036 -12.0684 -12.0684 -9.9830 -9.9830 -9.8795 -9.8795 -9.6953 -9.6953 -4.0397 -4.0397 -3.4128 -3.4128 -3.2519 -3.2519 -0.4935 -0.4935 -0.4063 -0.4063 -0.3741 -0.3741 -0.1036 -0.1036 0.3316 0.3316 1.4888 1.4888 1.7414 1.7414 2.1237 2.1237 2.1972 2.1972 2.7912 2.7912 3.2579 3.2579 3.6755 3.6755 3.6899 3.6899 4.0886 4.0886 4.2889 4.2889 9.3104 9.3104 9.7878 9.7878 10.1788 10.1788 10.2435 10.2435 11.0139 11.0139 k =-0.5000 0.3086 0.1902 ( 4930 PWs) bands (ev): -12.7047 -12.7047 -12.6032 -12.6032 -12.0932 -12.0932 -9.9263 -9.9263 -9.8833 -9.8833 -9.6930 -9.6930 -4.1270 -4.1270 -3.3646 -3.3646 -3.1961 -3.1961 -0.5699 -0.5699 -0.4592 -0.4592 -0.3607 -0.3607 -0.1259 -0.1259 0.3073 0.3073 1.4724 1.4724 1.7847 1.7847 2.1638 2.1638 2.2287 2.2287 2.7838 2.7838 3.2669 3.2669 3.6696 3.6696 3.6746 3.6746 4.1021 4.1021 4.3012 4.3012 9.2484 9.2484 9.8234 9.8234 10.1600 10.1600 10.3176 10.3176 11.0653 11.0653 k =-0.5000 0.3086 0.1729 ( 4934 PWs) bands (ev): -12.7074 -12.7074 -12.6029 -12.6029 -12.1160 -12.1160 -9.8877 -9.8877 -9.8716 -9.8716 -9.6910 -9.6910 -4.2089 -4.2089 -3.3164 -3.3164 -3.1402 -3.1402 -0.6464 -0.6464 -0.5373 -0.5373 -0.3234 -0.3234 -0.1462 -0.1462 0.2850 0.2850 1.4574 1.4574 1.8249 1.8249 2.2012 2.2012 2.2599 2.2599 2.7772 2.7772 3.2761 3.2761 3.6498 3.6498 3.6713 3.6713 4.1155 4.1155 4.3128 4.3128 9.1904 9.1904 9.8550 9.8550 10.1416 10.1416 10.3896 10.3896 11.1215 11.1215 k =-0.5000 0.3086 0.1556 ( 4934 PWs) bands (ev): -12.7099 -12.7099 -12.6026 -12.6026 -12.1366 -12.1366 -9.8906 -9.8906 -9.8216 -9.8216 -9.6891 -9.6891 -4.2849 -4.2849 -3.2686 -3.2686 -3.0849 -3.0849 -0.7213 -0.7213 -0.6132 -0.6132 -0.2891 -0.2891 -0.1645 -0.1645 0.2646 0.2646 1.4440 1.4440 1.8620 1.8620 2.2357 2.2357 2.2906 2.2906 2.7715 2.7715 3.2855 3.2855 3.6280 3.6280 3.6686 3.6686 4.1287 4.1287 4.3234 4.3234 9.1368 9.1368 9.8828 9.8828 10.1246 10.1246 10.4579 10.4579 11.1813 11.1813 k =-0.5000 0.3086 0.1383 ( 4930 PWs) bands (ev): -12.7121 -12.7121 -12.6023 -12.6023 -12.1550 -12.1550 -9.8935 -9.8935 -9.7752 -9.7752 -9.6873 -9.6873 -4.3547 -4.3547 -3.2220 -3.2220 -3.0308 -3.0308 -0.7936 -0.7936 -0.6857 -0.6857 -0.2585 -0.2585 -0.1808 -0.1808 0.2463 0.2463 1.4321 1.4321 1.8956 1.8956 2.2672 2.2672 2.3201 2.3201 2.7664 2.7664 3.2951 3.2951 3.6052 3.6052 3.6659 3.6659 4.1412 4.1412 4.3332 4.3332 9.0878 9.0878 9.9068 9.9068 10.1093 10.1093 10.5220 10.5220 11.2435 11.2435 k =-0.5000 0.3086 0.1210 ( 4932 PWs) bands (ev): -12.7141 -12.7141 -12.6021 -12.6021 -12.1713 -12.1713 -9.8962 -9.8962 -9.7333 -9.7333 -9.6853 -9.6853 -4.4176 -4.4176 -3.1774 -3.1774 -2.9788 -2.9788 -0.8622 -0.8622 -0.7537 -0.7537 -0.2316 -0.2316 -0.1950 -0.1950 0.2300 0.2300 1.4218 1.4218 1.9256 1.9256 2.2954 2.2954 2.3479 2.3479 2.7621 2.7621 3.3050 3.3050 3.5818 3.5818 3.6633 3.6633 4.1530 4.1530 4.3419 4.3419 9.0438 9.0438 9.9272 9.9272 10.0957 10.0957 10.5811 10.5811 11.3065 11.3065 k =-0.5000 0.3086 0.1037 ( 4922 PWs) bands (ev): -12.7159 -12.7159 -12.6020 -12.6020 -12.1855 -12.1855 -9.8985 -9.8985 -9.6985 -9.6985 -9.6810 -9.6810 -4.4733 -4.4733 -3.1357 -3.1357 -2.9299 -2.9299 -0.9258 -0.9258 -0.8161 -0.8161 -0.2117 -0.2117 -0.2039 -0.2039 0.2157 0.2157 1.4129 1.4129 1.9519 1.9519 2.3203 2.3203 2.3736 2.3736 2.7584 2.7584 3.3153 3.3153 3.5583 3.5583 3.6608 3.6608 4.1638 4.1638 4.3495 4.3495 9.0050 9.0050 9.9444 9.9444 10.0839 10.0839 10.6345 10.6345 11.3686 11.3686 k =-0.5000 0.3086 0.0864 ( 4926 PWs) bands (ev): -12.7174 -12.7174 -12.6019 -12.6019 -12.1975 -12.1975 -9.9005 -9.9005 -9.6865 -9.6865 -9.6592 -9.6592 -4.5212 -4.5212 -3.0979 -3.0979 -2.8852 -2.8852 -0.9832 -0.9832 -0.8717 -0.8717 -0.2190 -0.2190 -0.1872 -0.1872 0.2036 0.2036 1.4054 1.4054 1.9744 1.9744 2.3416 2.3416 2.3966 2.3966 2.7554 2.7554 3.3260 3.3260 3.5351 3.5351 3.6586 3.6586 4.1733 4.1733 4.3561 4.3561 8.9718 8.9718 9.9583 9.9583 10.0741 10.0741 10.6815 10.6815 11.4277 11.4277 k =-0.5000 0.3086 0.0692 ( 4926 PWs) bands (ev): -12.7186 -12.7186 -12.6018 -12.6018 -12.2073 -12.2073 -9.9021 -9.9021 -9.6846 -9.6846 -9.6330 -9.6330 -4.5611 -4.5611 -3.0650 -3.0650 -2.8461 -2.8461 -1.0330 -1.0330 -0.9194 -0.9194 -0.2275 -0.2275 -0.1711 -0.1711 0.1935 0.1935 1.3993 1.3993 1.9929 1.9929 2.3592 2.3592 2.4164 2.4164 2.7529 2.7529 3.3370 3.3370 3.5130 3.5130 3.6567 3.6567 4.1814 4.1814 4.3615 4.3615 8.9442 8.9442 9.9693 9.9693 10.0662 10.0662 10.7215 10.7215 11.4817 11.4817 k =-0.5000 0.3086 0.0519 ( 4938 PWs) bands (ev): -12.7196 -12.7196 -12.6017 -12.6017 -12.2150 -12.2150 -9.9034 -9.9034 -9.6836 -9.6836 -9.6116 -9.6116 -4.5925 -4.5925 -3.0380 -3.0380 -2.8137 -2.8137 -1.0737 -1.0737 -0.9580 -0.9580 -0.2342 -0.2342 -0.1585 -0.1585 0.1857 0.1857 1.3946 1.3946 2.0073 2.0073 2.3730 2.3730 2.4324 2.4324 2.7511 2.7511 3.3481 3.3481 3.4926 3.4926 3.6551 3.6551 4.1878 4.1878 4.3658 4.3658 8.9226 8.9226 9.9775 9.9775 10.0602 10.0602 10.7536 10.7536 11.5280 11.5280 k =-0.5000 0.3086 0.0346 ( 4942 PWs) bands (ev): -12.7203 -12.7203 -12.6017 -12.6017 -12.2204 -12.2204 -9.9043 -9.9043 -9.6830 -9.6830 -9.5961 -9.5961 -4.6151 -4.6151 -3.0180 -3.0180 -2.7894 -2.7894 -1.1039 -1.1039 -0.9864 -0.9864 -0.2390 -0.2390 -0.1494 -0.1494 0.1800 0.1800 1.3913 1.3913 2.0177 2.0177 2.3830 2.3830 2.4441 2.4441 2.7497 2.7497 3.3586 3.3586 3.4752 3.4752 3.6540 3.6540 4.1926 4.1926 4.3689 4.3689 8.9071 8.9071 9.9831 9.9831 10.0561 10.0561 10.7772 10.7772 11.5636 11.5636 k =-0.5000 0.3086 0.0173 ( 4944 PWs) bands (ev): -12.7207 -12.7207 -12.6017 -12.6017 -12.2237 -12.2237 -9.9048 -9.9048 -9.6827 -9.6827 -9.5867 -9.5867 -4.6288 -4.6288 -3.0056 -3.0056 -2.7744 -2.7744 -1.1226 -1.1226 -1.0039 -1.0039 -0.2418 -0.2418 -0.1439 -0.1439 0.1766 0.1766 1.3893 1.3893 2.0239 2.0239 2.3890 2.3890 2.4514 2.4514 2.7489 2.7489 3.3667 3.3667 3.4627 3.4627 3.6533 3.6533 4.1954 4.1954 4.3707 4.3707 8.8977 8.8977 9.9864 9.9864 10.0537 10.0537 10.7916 10.7916 11.5862 11.5862 k =-0.5000 0.3086 0.0000 ( 4936 PWs) bands (ev): -12.7209 -12.7209 -12.6017 -12.6017 -12.2248 -12.2248 -9.9050 -9.9050 -9.6825 -9.6825 -9.5835 -9.5835 -4.6333 -4.6333 -3.0014 -3.0014 -2.7692 -2.7692 -1.1289 -1.1289 -1.0098 -1.0098 -0.2428 -0.2428 -0.1421 -0.1421 0.1755 0.1755 1.3887 1.3887 2.0260 2.0260 2.3910 2.3910 2.4538 2.4538 2.7487 2.7487 3.3700 3.3700 3.4579 3.4579 3.6530 3.6530 4.1964 4.1964 4.3713 4.3713 8.8946 8.8946 9.9874 9.9874 10.0530 10.0530 10.7965 10.7965 11.5938 11.5938 k = 0.0000 0.0000 0.5360 ( 4900 PWs) bands (ev): -12.9078 -12.9078 -12.9078 -12.9078 -10.7241 -10.7241 -10.7241 -10.7241 -9.7482 -9.7482 -9.7482 -9.7482 -4.6391 -4.6391 -4.6391 -4.6391 -1.4307 -1.4307 -1.4307 -1.4307 -0.0263 -0.0263 -0.0263 -0.0263 0.2370 0.2370 0.2370 0.2370 1.3464 1.3464 1.3464 1.3464 2.3106 2.3106 2.3106 2.3106 3.3819 3.3819 3.3819 3.3819 3.9627 3.9627 3.9627 3.9627 4.1499 4.1499 4.1499 4.1499 9.0054 9.0054 9.0054 9.0054 9.3404 9.3404 9.3404 9.3404 11.6125 11.6125 k =-0.0147 0.0091 0.5360 ( 4900 PWs) bands (ev): -12.9074 -12.9074 -12.9073 -12.9073 -10.7253 -10.7253 -10.7251 -10.7251 -9.7483 -9.7483 -9.7480 -9.7480 -4.6381 -4.6381 -4.6375 -4.6375 -1.4320 -1.4320 -1.4312 -1.4312 -0.0273 -0.0273 -0.0242 -0.0242 0.2374 0.2374 0.2394 0.2394 1.3451 1.3451 1.3461 1.3461 2.3110 2.3110 2.3118 2.3118 3.3807 3.3807 3.3815 3.3815 3.9537 3.9537 3.9568 3.9568 4.1539 4.1539 4.1560 4.1560 9.0062 9.0062 9.0091 9.0091 9.3396 9.3396 9.3419 9.3419 11.6122 11.6122 k =-0.0294 0.0182 0.5360 ( 4904 PWs) bands (ev): -12.9060 -12.9060 -12.9058 -12.9058 -10.7285 -10.7285 -10.7281 -10.7281 -9.7485 -9.7485 -9.7478 -9.7478 -4.6346 -4.6346 -4.6332 -4.6332 -1.4351 -1.4351 -1.4335 -1.4335 -0.0272 -0.0272 -0.0212 -0.0212 0.2409 0.2409 0.2448 0.2448 1.3421 1.3421 1.3442 1.3442 2.3130 2.3130 2.3146 2.3146 3.3781 3.3781 3.3796 3.3796 3.9324 3.9324 3.9378 3.9378 4.1662 4.1662 4.1697 4.1697 9.0113 9.0113 9.0172 9.0172 9.3393 9.3393 9.3441 9.3441 11.6128 11.6128 k =-0.0441 0.0272 0.5360 ( 4908 PWs) bands (ev): -12.9037 -12.9037 -12.9034 -12.9034 -10.7337 -10.7337 -10.7332 -10.7332 -9.7487 -9.7487 -9.7476 -9.7476 -4.6284 -4.6284 -4.6264 -4.6264 -1.4399 -1.4399 -1.4375 -1.4375 -0.0259 -0.0259 -0.0171 -0.0171 0.2473 0.2473 0.2529 0.2529 1.3374 1.3374 1.3406 1.3406 2.3163 2.3163 2.3189 2.3189 3.3738 3.3738 3.3762 3.3762 3.9028 3.9028 3.9099 3.9099 4.1828 4.1828 4.1870 4.1870 9.0205 9.0205 9.0294 9.0294 9.3399 9.3399 9.3471 9.3471 11.6144 11.6144 k =-0.0588 0.0363 0.5360 ( 4900 PWs) bands (ev): -12.9005 -12.9005 -12.9001 -12.9001 -10.7410 -10.7410 -10.7402 -10.7402 -9.7488 -9.7488 -9.7474 -9.7474 -4.6197 -4.6197 -4.6170 -4.6170 -1.4464 -1.4464 -1.4433 -1.4433 -0.0234 -0.0234 -0.0121 -0.0121 0.2566 0.2566 0.2638 0.2638 1.3312 1.3312 1.3355 1.3355 2.3209 2.3209 2.3244 2.3244 3.3681 3.3681 3.3712 3.3712 3.8682 3.8682 3.8766 3.8766 4.2007 4.2007 4.2052 4.2052 9.0333 9.0333 9.0452 9.0452 9.3416 9.3416 9.3514 9.3514 11.6167 11.6167 k =-0.0735 0.0454 0.5360 ( 4908 PWs) bands (ev): -12.8964 -12.8964 -12.8959 -12.8959 -10.7501 -10.7501 -10.7492 -10.7492 -9.7490 -9.7490 -9.7472 -9.7472 -4.6084 -4.6084 -4.6051 -4.6051 -1.4546 -1.4546 -1.4508 -1.4508 -0.0195 -0.0195 -0.0061 -0.0061 0.2688 0.2688 0.2772 0.2772 1.3234 1.3234 1.3288 1.3288 2.3264 2.3264 2.3309 2.3309 3.3608 3.3608 3.3647 3.3647 3.8306 3.8306 3.8401 3.8401 4.2179 4.2179 4.2225 4.2225 9.0490 9.0490 9.0639 9.0639 9.3451 9.3451 9.3575 9.3575 11.6195 11.6195 k =-0.0882 0.0545 0.5360 ( 4904 PWs) bands (ev): -12.8914 -12.8914 -12.8908 -12.8908 -10.7611 -10.7611 -10.7600 -10.7600 -9.7492 -9.7492 -9.7471 -9.7471 -4.5947 -4.5947 -4.5908 -4.5908 -1.4644 -1.4644 -1.4601 -1.4601 -0.0143 -0.0143 0.0010 0.0010 0.2837 0.2837 0.2931 0.2931 1.3140 1.3140 1.3205 1.3205 2.3325 2.3325 2.3379 2.3379 3.3521 3.3521 3.3568 3.3568 3.7915 3.7915 3.8018 3.8018 4.2335 4.2335 4.2381 4.2381 9.0666 9.0666 9.0845 9.0845 9.3510 9.3510 9.3660 9.3660 11.6224 11.6224 k =-0.1029 0.0635 0.5360 ( 4900 PWs) bands (ev): -12.8855 -12.8855 -12.8848 -12.8848 -10.7738 -10.7738 -10.7726 -10.7726 -9.7494 -9.7494 -9.7471 -9.7471 -4.5786 -4.5786 -4.5741 -4.5741 -1.4758 -1.4758 -1.4709 -1.4709 -0.0076 -0.0076 0.0091 0.0091 0.3014 0.3014 0.3115 0.3115 1.3031 1.3031 1.3108 1.3108 2.3386 2.3386 2.3452 2.3452 3.3420 3.3420 3.3475 3.3475 3.7518 3.7518 3.7630 3.7630 4.2470 4.2470 4.2515 4.2515 9.0850 9.0850 9.1055 9.1055 9.3604 9.3604 9.3779 9.3779 11.6251 11.6251 k =-0.1176 0.0726 0.5360 ( 4900 PWs) bands (ev): -12.8788 -12.8788 -12.8780 -12.8780 -10.7882 -10.7882 -10.7869 -10.7869 -9.7497 -9.7497 -9.7472 -9.7472 -4.5602 -4.5602 -4.5551 -4.5551 -1.4886 -1.4886 -1.4834 -1.4834 0.0005 0.0005 0.0183 0.0183 0.3216 0.3216 0.3321 0.3321 1.2908 1.2908 1.2997 1.2997 2.3443 2.3443 2.3520 2.3520 3.3306 3.3306 3.3370 3.3370 3.7126 3.7126 3.7245 3.7245 4.2581 4.2581 4.2625 4.2625 9.1029 9.1029 9.1254 9.1254 9.3747 9.3747 9.3941 9.3941 11.6273 11.6273 k =-0.1324 0.0817 0.5360 ( 4898 PWs) bands (ev): -12.8712 -12.8712 -12.8704 -12.8704 -10.8041 -10.8041 -10.8026 -10.8026 -9.7501 -9.7501 -9.7473 -9.7473 -4.5396 -4.5396 -4.5340 -4.5340 -1.5030 -1.5030 -1.4974 -1.4974 0.0101 0.0101 0.0285 0.0285 0.3442 0.3442 0.3550 0.3550 1.2770 1.2770 1.2872 1.2872 2.3489 2.3489 2.3579 2.3579 3.3182 3.3182 3.3255 3.3255 3.6746 3.6746 3.6870 3.6870 4.2667 4.2667 4.2710 4.2710 9.1190 9.1190 9.1426 9.1426 9.3950 9.3950 9.4156 9.4156 11.6285 11.6285 k =-0.1471 0.0908 0.5360 ( 4902 PWs) bands (ev): -12.8629 -12.8629 -12.8620 -12.8620 -10.8213 -10.8213 -10.8198 -10.8198 -9.7506 -9.7506 -9.7476 -9.7476 -4.5169 -4.5169 -4.5108 -4.5108 -1.5187 -1.5187 -1.5129 -1.5129 0.0210 0.0210 0.0398 0.0398 0.3691 0.3691 0.3799 0.3799 1.2618 1.2618 1.2733 1.2733 2.3518 2.3518 2.3621 2.3621 3.3051 3.3051 3.3134 3.3134 3.6384 3.6384 3.6512 3.6512 4.2727 4.2727 4.2770 4.2770 9.1324 9.1324 9.1560 9.1560 9.4220 9.4220 9.4430 9.4430 11.6284 11.6284 k =-0.1618 0.0998 0.5360 ( 4902 PWs) bands (ev): -12.8539 -12.8539 -12.8529 -12.8529 -10.8398 -10.8398 -10.8382 -10.8382 -9.7512 -9.7512 -9.7481 -9.7481 -4.4923 -4.4923 -4.4857 -4.4857 -1.5356 -1.5356 -1.5296 -1.5296 0.0334 0.0334 0.0523 0.0523 0.3962 0.3962 0.4069 0.4069 1.2452 1.2452 1.2581 1.2581 2.3524 2.3524 2.3641 2.3641 3.2919 3.2919 3.3011 3.3011 3.6045 3.6045 3.6176 3.6176 4.2763 4.2763 4.2805 4.2805 9.1426 9.1426 9.1654 9.1654 9.4556 9.4556 9.4764 9.4764 11.6265 11.6265 k =-0.1765 0.1089 0.5360 ( 4902 PWs) bands (ev): -12.8442 -12.8442 -12.8432 -12.8432 -10.8594 -10.8594 -10.8577 -10.8577 -9.7519 -9.7519 -9.7487 -9.7487 -4.4658 -4.4658 -4.4589 -4.4589 -1.5537 -1.5537 -1.5476 -1.5476 0.0470 0.0470 0.0657 0.0657 0.4253 0.4253 0.4358 0.4358 1.2273 1.2273 1.2416 1.2416 2.3500 2.3500 2.3630 2.3630 3.2790 3.2790 3.2891 3.2891 3.5733 3.5733 3.5865 3.5865 4.2774 4.2774 4.2816 4.2816 9.1497 9.1497 9.1710 9.1710 9.4952 9.4952 9.5155 9.5155 11.6226 11.6226 k =-0.1912 0.1180 0.5360 ( 4906 PWs) bands (ev): -12.8339 -12.8339 -12.8328 -12.8328 -10.8800 -10.8800 -10.8782 -10.8782 -9.7527 -9.7527 -9.7494 -9.7494 -4.4377 -4.4377 -4.4304 -4.4304 -1.5728 -1.5728 -1.5668 -1.5668 0.0618 0.0618 0.0802 0.0802 0.4562 0.4562 0.4666 0.4666 1.2081 1.2081 1.2238 1.2238 2.3441 2.3441 2.3585 2.3585 3.2670 3.2670 3.2780 3.2780 3.5451 3.5451 3.5581 3.5581 4.2762 4.2762 4.2804 4.2804 9.1540 9.1540 9.1736 9.1736 9.5397 9.5397 9.5594 9.5594 11.6165 11.6165 k =-0.2059 0.1271 0.5360 ( 4902 PWs) bands (ev): -12.8230 -12.8230 -12.8218 -12.8218 -10.9013 -10.9013 -10.8995 -10.8995 -9.7536 -9.7536 -9.7503 -9.7503 -4.4081 -4.4081 -4.4006 -4.4006 -1.5929 -1.5929 -1.5869 -1.5869 0.0778 0.0778 0.0957 0.0957 0.4888 0.4888 0.4991 0.4991 1.1875 1.1875 1.2048 1.2048 2.3343 2.3343 2.3499 2.3499 3.2565 3.2565 3.2682 3.2682 3.5200 3.5200 3.5327 3.5327 4.2728 4.2728 4.2771 4.2771 9.1560 9.1560 9.1739 9.1739 9.5879 9.5879 9.6074 9.6074 11.6079 11.6079 k =-0.2206 0.1361 0.5360 ( 4910 PWs) bands (ev): -12.8116 -12.8116 -12.8104 -12.8104 -10.9232 -10.9232 -10.9214 -10.9214 -9.7547 -9.7547 -9.7514 -9.7514 -4.3772 -4.3772 -4.3694 -4.3694 -1.6138 -1.6138 -1.6078 -1.6078 0.0948 0.0948 0.1121 0.1121 0.5229 0.5229 0.5333 0.5333 1.1657 1.1657 1.1846 1.1846 2.3203 2.3203 2.3371 2.3371 3.2478 3.2478 3.2599 3.2599 3.4984 3.4984 3.5104 3.5104 4.2674 4.2674 4.2717 4.2717 9.1562 9.1562 9.1725 9.1725 9.6391 9.6391 9.6587 9.6587 11.5968 11.5968 k =-0.2353 0.1452 0.5360 ( 4914 PWs) bands (ev): -12.7998 -12.7998 -12.7985 -12.7985 -10.9456 -10.9456 -10.9438 -10.9438 -9.7558 -9.7558 -9.7526 -9.7526 -4.3453 -4.3453 -4.3373 -4.3373 -1.6353 -1.6353 -1.6295 -1.6295 0.1128 0.1128 0.1294 0.1294 0.5582 0.5582 0.5688 0.5688 1.1427 1.1427 1.1633 1.1633 2.3022 2.3022 2.3201 2.3201 3.2407 3.2407 3.2530 3.2530 3.4804 3.4804 3.4916 3.4916 4.2600 4.2600 4.2645 4.2645 9.1550 9.1550 9.1699 9.1699 9.6924 9.6924 9.7124 9.7124 11.5830 11.5830 k =-0.2500 0.1543 0.5360 ( 4906 PWs) bands (ev): -12.7876 -12.7876 -12.7863 -12.7863 -10.9683 -10.9683 -10.9665 -10.9665 -9.7571 -9.7571 -9.7539 -9.7539 -4.3124 -4.3124 -4.3043 -4.3043 -1.6574 -1.6574 -1.6517 -1.6517 0.1317 0.1317 0.1476 0.1476 0.5945 0.5945 0.6057 0.6057 1.1186 1.1186 1.1408 1.1408 2.2803 2.2803 2.2992 2.2992 3.2350 3.2350 3.2470 3.2470 3.4666 3.4666 3.4767 3.4767 4.2509 4.2509 4.2555 4.2555 9.1528 9.1528 9.1665 9.1665 9.7473 9.7473 9.7678 9.7678 11.5667 11.5667 k =-0.2647 0.1634 0.5360 ( 4910 PWs) bands (ev): -12.7752 -12.7752 -12.7739 -12.7739 -10.9911 -10.9911 -10.9893 -10.9893 -9.7585 -9.7585 -9.7553 -9.7553 -4.2790 -4.2790 -4.2708 -4.2708 -1.6798 -1.6798 -1.6743 -1.6743 0.1514 0.1514 0.1666 0.1666 0.6315 0.6315 0.6436 0.6436 1.0933 1.0933 1.1174 1.1174 2.2550 2.2550 2.2747 2.2747 3.2296 3.2296 3.2410 3.2410 3.4575 3.4575 3.4662 3.4662 4.2401 4.2401 4.2449 4.2449 9.1500 9.1500 9.1625 9.1625 9.8033 9.8033 9.8245 9.8245 11.5479 11.5479 k =-0.2794 0.1724 0.5360 ( 4920 PWs) bands (ev): -12.7626 -12.7626 -12.7613 -12.7613 -11.0138 -11.0138 -11.0121 -11.0121 -9.7599 -9.7599 -9.7569 -9.7569 -4.2452 -4.2452 -4.2370 -4.2370 -1.7024 -1.7024 -1.6972 -1.6972 0.1718 0.1718 0.1865 0.1865 0.6688 0.6688 0.6822 0.6822 1.0671 1.0671 1.0931 1.0931 2.2270 2.2270 2.2473 2.2473 3.2237 3.2237 3.2343 3.2343 3.4534 3.4534 3.4608 3.4608 4.2279 4.2279 4.2329 4.2329 9.1466 9.1466 9.1581 9.1581 9.8600 9.8600 9.8820 9.8820 11.5266 11.5266 k =-0.2941 0.1815 0.5360 ( 4928 PWs) bands (ev): -12.7500 -12.7500 -12.7487 -12.7487 -11.0363 -11.0363 -11.0346 -11.0346 -9.7614 -9.7614 -9.7584 -9.7584 -4.2112 -4.2112 -4.2031 -4.2031 -1.7250 -1.7250 -1.7200 -1.7200 0.1929 0.1929 0.2071 0.2071 0.7059 0.7059 0.7211 0.7211 1.0402 1.0402 1.0682 1.0682 2.1969 2.1969 2.2177 2.2177 3.2164 3.2164 3.2262 3.2262 3.4546 3.4546 3.4609 3.4609 4.2144 4.2144 4.2196 4.2196 9.1429 9.1429 9.1534 9.1534 9.9169 9.9169 9.9398 9.9398 11.5028 11.5028 k =-0.3088 0.1906 0.5360 ( 4924 PWs) bands (ev): -12.7374 -12.7374 -12.7361 -12.7361 -11.0584 -11.0584 -11.0567 -11.0567 -9.7629 -9.7629 -9.7601 -9.7601 -4.1775 -4.1775 -4.1695 -4.1695 -1.7475 -1.7475 -1.7428 -1.7428 0.2147 0.2147 0.2286 0.2286 0.7423 0.7423 0.7599 0.7599 1.0128 1.0128 1.0433 1.0433 2.1654 2.1654 2.1866 2.1866 3.2073 3.2073 3.2163 3.2163 3.4607 3.4607 3.4665 3.4665 4.1997 4.1997 4.2051 4.2051 9.1390 9.1390 9.1487 9.1487 9.9738 9.9738 9.9975 9.9975 11.4768 11.4768 k =-0.3235 0.1997 0.5360 ( 4932 PWs) bands (ev): -12.7250 -12.7250 -12.7237 -12.7237 -11.0799 -11.0799 -11.0782 -11.0782 -9.7644 -9.7644 -9.7617 -9.7617 -4.1443 -4.1443 -4.1365 -4.1365 -1.7697 -1.7697 -1.7652 -1.7652 0.2370 0.2370 0.2507 0.2507 0.7766 0.7766 0.7976 0.7976 0.9857 0.9857 1.0191 1.0191 2.1333 2.1333 2.1547 2.1547 3.1962 3.1962 3.2046 3.2046 3.4713 3.4713 3.4770 3.4770 4.1841 4.1841 4.1896 4.1896 9.1351 9.1351 9.1440 9.1440 10.0304 10.0304 10.0549 10.0549 11.4484 11.4484 k =-0.3382 0.2087 0.5360 ( 4928 PWs) bands (ev): -12.7128 -12.7128 -12.7116 -12.7116 -11.1005 -11.1005 -11.0989 -11.0989 -9.7659 -9.7659 -9.7634 -9.7634 -4.1118 -4.1118 -4.1043 -4.1043 -1.7913 -1.7913 -1.7871 -1.7871 0.2598 0.2598 0.2736 0.2736 0.8066 0.8066 0.8323 0.8323 0.9607 0.9607 0.9977 0.9977 2.1011 2.1011 2.1226 2.1226 3.1836 3.1836 3.1915 3.1915 3.4857 3.4857 3.4916 3.4916 4.1677 4.1677 4.1733 4.1733 9.1313 9.1313 9.1394 9.1394 10.0864 10.0864 10.1116 10.1116 11.4180 11.4180 k =-0.3529 0.2178 0.5360 ( 4930 PWs) bands (ev): -12.7011 -12.7011 -12.6999 -12.6999 -11.1202 -11.1202 -11.1187 -11.1187 -9.7673 -9.7673 -9.7650 -9.7650 -4.0805 -4.0805 -4.0734 -4.0734 -1.8121 -1.8121 -1.8082 -1.8082 0.2832 0.2832 0.2972 0.2972 0.8279 0.8279 0.8584 0.8584 0.9434 0.9434 0.9831 0.9831 2.0696 2.0696 2.0908 2.0908 3.1700 3.1700 3.1775 3.1775 3.5031 3.5031 3.5092 3.5092 4.1507 4.1507 4.1564 4.1564 9.1276 9.1276 9.1349 9.1349 10.1415 10.1415 10.1673 10.1673 11.3857 11.3857 k =-0.3676 0.2269 0.5360 ( 4938 PWs) bands (ev): -12.6899 -12.6899 -12.6889 -12.6889 -11.1387 -11.1387 -11.1373 -11.1373 -9.7687 -9.7687 -9.7666 -9.7666 -4.0507 -4.0507 -4.0440 -4.0440 -1.8319 -1.8319 -1.8283 -1.8283 0.3071 0.3071 0.3214 0.3214 0.8336 0.8336 0.8622 0.8622 0.9475 0.9475 0.9814 0.9814 2.0392 2.0392 2.0599 2.0599 3.1560 3.1560 3.1630 3.1630 3.5226 3.5226 3.5288 3.5288 4.1333 4.1333 4.1390 4.1390 9.1241 9.1241 9.1307 9.1307 10.1955 10.1955 10.2217 10.2217 11.3519 11.3519 k =-0.3824 0.2360 0.5360 ( 4944 PWs) bands (ev): -12.6795 -12.6795 -12.6785 -12.6785 -11.1558 -11.1558 -11.1545 -11.1545 -9.7700 -9.7700 -9.7681 -9.7681 -4.0228 -4.0228 -4.0166 -4.0166 -1.8505 -1.8505 -1.8473 -1.8473 0.3315 0.3315 0.3462 0.3462 0.8220 0.8220 0.8453 0.8453 0.9711 0.9711 0.9943 0.9943 2.0104 2.0104 2.0304 2.0304 3.1420 3.1420 3.1486 3.1486 3.5434 3.5434 3.5496 3.5496 4.1157 4.1157 4.1214 4.1214 9.1208 9.1208 9.1267 9.1267 10.2479 10.2479 10.2743 10.2743 11.3171 11.3171 k =-0.3971 0.2450 0.5360 ( 4936 PWs) bands (ev): -12.6698 -12.6698 -12.6689 -12.6689 -11.1714 -11.1714 -11.1703 -11.1703 -9.7712 -9.7712 -9.7695 -9.7695 -3.9970 -3.9970 -3.9914 -3.9914 -1.8676 -1.8676 -1.8647 -1.8647 0.3562 0.3562 0.3715 0.3715 0.7994 0.7994 0.8209 0.8209 0.9999 0.9999 1.0160 1.0160 1.9837 1.9837 2.0026 2.0026 3.1287 3.1287 3.1346 3.1346 3.5647 3.5647 3.5707 3.5707 4.0984 4.0984 4.1040 4.1040 9.1179 9.1179 9.1231 9.1231 10.2985 10.2985 10.3246 10.3246 11.2820 11.2820 k =-0.4118 0.2541 0.5360 ( 4936 PWs) bands (ev): -12.6611 -12.6611 -12.6603 -12.6603 -11.1854 -11.1854 -11.1843 -11.1843 -9.7722 -9.7722 -9.7708 -9.7708 -3.9737 -3.9737 -3.9688 -3.9688 -1.8830 -1.8830 -1.8805 -1.8805 0.3814 0.3814 0.3971 0.3971 0.7722 0.7722 0.7934 0.7934 1.0284 1.0284 1.0406 1.0406 1.9596 1.9596 1.9769 1.9769 3.1163 3.1163 3.1215 3.1215 3.5858 3.5858 3.5915 3.5915 4.0815 4.0815 4.0869 4.0869 9.1154 9.1154 9.1198 9.1198 10.3466 10.3466 10.3719 10.3719 11.2473 11.2473 k =-0.4265 0.2632 0.5360 ( 4940 PWs) bands (ev): -12.6535 -12.6535 -12.6528 -12.6528 -11.1974 -11.1974 -11.1965 -11.1965 -9.7731 -9.7731 -9.7719 -9.7719 -3.9533 -3.9533 -3.9491 -3.9491 -1.8965 -1.8965 -1.8944 -1.8944 0.4067 0.4067 0.4227 0.4227 0.7438 0.7438 0.7647 0.7647 1.0548 1.0548 1.0645 1.0645 1.9384 1.9384 1.9539 1.9539 3.1053 3.1053 3.1097 3.1097 3.6058 3.6058 3.6111 3.6111 4.0657 4.0657 4.0706 4.0706 9.1132 9.1132 9.1169 9.1169 10.3915 10.3915 10.4154 10.4154 11.2142 11.2142 k =-0.4412 0.2723 0.5360 ( 4946 PWs) bands (ev): -12.6471 -12.6471 -12.6465 -12.6465 -11.2075 -11.2075 -11.2068 -11.2068 -9.7738 -9.7738 -9.7729 -9.7729 -3.9361 -3.9361 -3.9326 -3.9326 -1.9079 -1.9079 -1.9061 -1.9061 0.4319 0.4319 0.4479 0.4479 0.7157 0.7157 0.7359 0.7359 1.0779 1.0779 1.0857 1.0857 1.9207 1.9207 1.9337 1.9337 3.0958 3.0958 3.0995 3.0995 3.6242 3.6242 3.6288 3.6288 4.0514 4.0514 4.0558 4.0558 9.1115 9.1115 9.1145 9.1145 10.4323 10.4323 10.4538 10.4538 11.1841 11.1841 k =-0.4559 0.2813 0.5360 ( 4944 PWs) bands (ev): -12.6419 -12.6419 -12.6415 -12.6415 -11.2154 -11.2154 -11.2149 -11.2149 -9.7744 -9.7744 -9.7737 -9.7737 -3.9222 -3.9222 -3.9196 -3.9196 -1.9168 -1.9168 -1.9155 -1.9155 0.4564 0.4564 0.4717 0.4717 0.6894 0.6894 0.7080 0.7080 1.0971 1.0971 1.1031 1.1031 1.9068 1.9068 1.9171 1.9171 3.0883 3.0883 3.0911 3.0911 3.6399 3.6399 3.6437 3.6437 4.0394 4.0394 4.0429 4.0429 9.1102 9.1102 9.1125 9.1125 10.4677 10.4677 10.4856 10.4856 11.1587 11.1587 k =-0.4706 0.2904 0.5360 ( 4942 PWs) bands (ev): -12.6382 -12.6382 -12.6379 -12.6379 -11.2211 -11.2211 -11.2208 -11.2208 -9.7748 -9.7748 -9.7743 -9.7743 -3.9120 -3.9120 -3.9103 -3.9103 -1.9233 -1.9233 -1.9224 -1.9224 0.4791 0.4791 0.4922 0.4922 0.6671 0.6671 0.6825 0.6825 1.1117 1.1117 1.1158 1.1158 1.8971 1.8971 1.9042 1.9042 3.0830 3.0830 3.0848 3.0848 3.6522 3.6522 3.6549 3.6549 4.0302 4.0302 4.0328 4.0328 9.1094 9.1094 9.1109 9.1109 10.4961 10.4961 10.5091 10.5091 11.1399 11.1399 k =-0.4853 0.2995 0.5360 ( 4944 PWs) bands (ev): -12.6359 -12.6359 -12.6357 -12.6357 -11.2246 -11.2246 -11.2244 -11.2244 -9.7749 -9.7749 -9.7747 -9.7747 -3.9057 -3.9057 -3.9048 -3.9048 -1.9271 -1.9271 -1.9267 -1.9267 0.4977 0.4977 0.5059 0.5059 0.6525 0.6525 0.6619 0.6619 1.1211 1.1211 1.1233 1.1233 1.8919 1.8919 1.8955 1.8955 3.0799 3.0799 3.0808 3.0808 3.6603 3.6603 3.6617 3.6617 4.0247 4.0247 4.0260 4.0260 9.1091 9.1091 9.1098 9.1098 10.5156 10.5156 10.5226 10.5226 11.1295 11.1295 k =-0.5000 0.3086 0.5360 ( 4960 PWs) bands (ev): -12.6351 -12.6351 -12.6351 -12.6351 -11.2256 -11.2256 -11.2256 -11.2256 -9.7749 -9.7749 -9.7749 -9.7749 -3.9032 -3.9032 -3.9032 -3.9032 -1.9283 -1.9283 -1.9283 -1.9283 0.5080 0.5080 0.5080 0.5080 0.6505 0.6505 0.6505 0.6505 1.1250 1.1250 1.1250 1.1250 1.8914 1.8914 1.8914 1.8914 3.0791 3.0791 3.0791 3.0791 3.6636 3.6636 3.6636 3.6636 4.0232 4.0232 4.0232 4.0232 9.1092 9.1092 9.1092 9.1092 10.5248 10.5248 10.5248 10.5248 11.1288 11.1288 Writing output data file Ge2N2O.save init_run : 2.49s CPU 10.98s WALL ( 1 calls) electrons : 1086.91s CPU 1097.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 1086.90s CPU 1097.53s WALL ( 1 calls) v_of_rho : 0.18s CPU 1.00s WALL ( 1 calls) v_h : 0.03s CPU 0.07s WALL ( 1 calls) v_xc : 0.14s CPU 0.62s WALL ( 1 calls) newd : 0.35s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 356 calls) cegterg : 1003.38s CPU 1009.76s WALL ( 1158 calls) Called by sum_band: Called by *egterg: h_psi : 365.47s CPU 376.45s WALL ( 21622 calls) s_psi : 28.65s CPU 29.63s WALL ( 21622 calls) g_psi : 1.06s CPU 1.10s WALL ( 20108 calls) cdiaghg : 452.83s CPU 448.02s WALL ( 20464 calls) cegterg:over : 85.03s CPU 82.29s WALL ( 20108 calls) cegterg:upda : 19.92s CPU 25.66s WALL ( 20108 calls) cegterg:last : 17.16s CPU 18.13s WALL ( 2580 calls) Called by h_psi: h_psi:vloc : 284.61s CPU 294.63s WALL ( 21622 calls) h_psi:vnl : 80.37s CPU 80.72s WALL ( 21622 calls) add_vuspsi : 22.00s CPU 26.84s WALL ( 21622 calls) General routines calbec : 58.29s CPU 53.77s WALL ( 21622 calls) fft : 0.26s CPU 1.18s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 267.42s CPU 274.91s WALL ( 1674908 calls) interpolate : 0.02s CPU 0.05s WALL ( 4 calls) davcio : 0.03s CPU 3.58s WALL ( 712 calls) Parallel routines fft_scatter : 171.28s CPU 177.17s WALL ( 1674931 calls) PWSCF : 19m29.39s CPU 26m25.27s WALL This run was terminated on: 17:45: 8 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=