Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:13:13 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 51 29 8 1885 825 128 Max 53 30 9 1889 842 131 Sum 2461 1433 413 90559 40075 6223 bravais-lattice index = 14 lattice parameter (alat) = 10.3320 a.u. unit-cell volume = 918.9828 (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)= 10.331989 celldm(2)= 1.000000 celldm(3)= 0.932244 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448525 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448525 0.893770 0.000000 ) a(3) = ( 0.000000 0.000000 0.932244 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.501834 -0.000000 ) b(2) = ( 0.000000 1.118855 -0.000000 ) b(3) = ( 0.000000 0.000000 1.072681 ) 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 ) ( -0.4661219 ) 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= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090837 0.0147218 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181673 0.0294436 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272510 0.0441653 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363346 0.0588871 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454183 0.0736089 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0545019 0.0883307 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0635856 0.1030525 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0726692 0.1177743 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817529 0.1324960 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908365 0.1472178 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999202 0.1619396 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1090038 0.1766614 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1180875 0.1913832 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1271711 0.2061050 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1362548 0.2208267 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1453385 0.2355485 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544221 0.2502703 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1635058 0.2649921 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1725894 0.2797139 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1816731 0.2944356 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1907567 0.3091574 -0.0000000), wk = 0.0028249 k( 23) = ( 0.1998404 0.3238792 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2089240 0.3386010 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2180077 0.3533228 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2270913 0.3680446 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2361750 0.3827663 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2452586 0.3974881 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2543423 0.4122099 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2634259 0.4269317 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2725096 0.4416535 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2815932 0.4563753 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2906769 0.4710970 -0.0000000), wk = 0.0028249 k( 34) = ( 0.2997606 0.4858188 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3088442 0.5005406 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3179279 0.5152624 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3270115 0.5299842 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3360952 0.5447059 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3451788 0.5594277 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3451788 0.5594277 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3279199 0.5594277 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3106609 0.5594277 -0.0000000), wk = 0.0028249 k( 43) = ( 0.2934020 0.5594277 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2761431 0.5594277 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2588841 0.5594277 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416252 0.5594277 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2243662 0.5594277 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2071073 0.5594277 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1898483 0.5594277 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1725894 0.5594277 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1553305 0.5594277 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1380715 0.5594277 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208126 0.5594277 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1035536 0.5594277 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0862947 0.5594277 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690358 0.5594277 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0517768 0.5594277 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345179 0.5594277 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172589 0.5594277 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5594277 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5594277 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5594277 0.0173013), wk = 0.0028249 k( 63) = ( 0.0000000 0.5594277 0.0346026), wk = 0.0028249 k( 64) = ( 0.0000000 0.5594277 0.0519039), wk = 0.0028249 k( 65) = ( 0.0000000 0.5594277 0.0692052), wk = 0.0028249 k( 66) = ( 0.0000000 0.5594277 0.0865065), wk = 0.0028249 k( 67) = ( 0.0000000 0.5594277 0.1038078), wk = 0.0028249 k( 68) = ( 0.0000000 0.5594277 0.1211091), wk = 0.0028249 k( 69) = ( 0.0000000 0.5594277 0.1384104), wk = 0.0028249 k( 70) = ( 0.0000000 0.5594277 0.1557117), wk = 0.0028249 k( 71) = ( 0.0000000 0.5594277 0.1730130), wk = 0.0028249 k( 72) = ( 0.0000000 0.5594277 0.1903143), wk = 0.0028249 k( 73) = ( 0.0000000 0.5594277 0.2076156), wk = 0.0028249 k( 74) = ( 0.0000000 0.5594277 0.2249169), wk = 0.0028249 k( 75) = ( 0.0000000 0.5594277 0.2422182), wk = 0.0028249 k( 76) = ( 0.0000000 0.5594277 0.2595195), wk = 0.0028249 k( 77) = ( 0.0000000 0.5594277 0.2768208), wk = 0.0028249 k( 78) = ( 0.0000000 0.5594277 0.2941221), wk = 0.0028249 k( 79) = ( 0.0000000 0.5594277 0.3114234), wk = 0.0028249 k( 80) = ( 0.0000000 0.5594277 0.3287247), wk = 0.0028249 k( 81) = ( 0.0000000 0.5594277 0.3460260), wk = 0.0028249 k( 82) = ( 0.0000000 0.5594277 0.3633273), wk = 0.0028249 k( 83) = ( 0.0000000 0.5594277 0.3806286), wk = 0.0028249 k( 84) = ( 0.0000000 0.5594277 0.3979299), wk = 0.0028249 k( 85) = ( 0.0000000 0.5594277 0.4152312), wk = 0.0028249 k( 86) = ( 0.0000000 0.5594277 0.4325326), wk = 0.0028249 k( 87) = ( 0.0000000 0.5594277 0.4498339), wk = 0.0028249 k( 88) = ( 0.0000000 0.5594277 0.4671352), wk = 0.0028249 k( 89) = ( 0.0000000 0.5594277 0.4844365), wk = 0.0028249 k( 90) = ( 0.0000000 0.5594277 0.5017378), wk = 0.0028249 k( 91) = ( 0.0000000 0.5594277 0.5190391), wk = 0.0028249 k( 92) = ( 0.0000000 0.5594277 0.5363404), wk = 0.0028249 k( 93) = ( 0.0000000 0.5594277 0.5363404), wk = 0.0028249 k( 94) = ( 0.0172589 0.5594277 0.5363404), wk = 0.0028249 k( 95) = ( 0.0345179 0.5594277 0.5363404), wk = 0.0028249 k( 96) = ( 0.0517768 0.5594277 0.5363404), wk = 0.0028249 k( 97) = ( 0.0690358 0.5594277 0.5363404), wk = 0.0028249 k( 98) = ( 0.0862947 0.5594277 0.5363404), wk = 0.0028249 k( 99) = ( 0.1035536 0.5594277 0.5363404), wk = 0.0028249 k( 100) = ( 0.1208126 0.5594277 0.5363404), wk = 0.0028249 k( 101) = ( 0.1380715 0.5594277 0.5363404), wk = 0.0028249 k( 102) = ( 0.1553305 0.5594277 0.5363404), wk = 0.0028249 k( 103) = ( 0.1725894 0.5594277 0.5363404), wk = 0.0028249 k( 104) = ( 0.1898483 0.5594277 0.5363404), wk = 0.0028249 k( 105) = ( 0.2071073 0.5594277 0.5363404), wk = 0.0028249 k( 106) = ( 0.2243662 0.5594277 0.5363404), wk = 0.0028249 k( 107) = ( 0.2416252 0.5594277 0.5363404), wk = 0.0028249 k( 108) = ( 0.2588841 0.5594277 0.5363404), wk = 0.0028249 k( 109) = ( 0.2761431 0.5594277 0.5363404), wk = 0.0028249 k( 110) = ( 0.2934020 0.5594277 0.5363404), wk = 0.0028249 k( 111) = ( 0.3106609 0.5594277 0.5363404), wk = 0.0028249 k( 112) = ( 0.3279199 0.5594277 0.5363404), wk = 0.0028249 k( 113) = ( 0.3451788 0.5594277 0.5363404), wk = 0.0028249 k( 114) = ( 0.3451788 0.5594277 0.5363404), wk = 0.0028249 k( 115) = ( 0.3360952 0.5447059 0.5363404), wk = 0.0028249 k( 116) = ( 0.3270115 0.5299842 0.5363404), wk = 0.0028249 k( 117) = ( 0.3179279 0.5152624 0.5363404), wk = 0.0028249 k( 118) = ( 0.3088442 0.5005406 0.5363404), wk = 0.0028249 k( 119) = ( 0.2997606 0.4858188 0.5363404), wk = 0.0028249 k( 120) = ( 0.2906769 0.4710970 0.5363404), wk = 0.0028249 k( 121) = ( 0.2815932 0.4563753 0.5363404), wk = 0.0028249 k( 122) = ( 0.2725096 0.4416535 0.5363404), wk = 0.0028249 k( 123) = ( 0.2634259 0.4269317 0.5363404), wk = 0.0028249 k( 124) = ( 0.2543423 0.4122099 0.5363404), wk = 0.0028249 k( 125) = ( 0.2452586 0.3974881 0.5363404), wk = 0.0028249 k( 126) = ( 0.2361750 0.3827663 0.5363404), wk = 0.0028249 k( 127) = ( 0.2270913 0.3680446 0.5363404), wk = 0.0028249 k( 128) = ( 0.2180077 0.3533228 0.5363404), wk = 0.0028249 k( 129) = ( 0.2089240 0.3386010 0.5363404), wk = 0.0028249 k( 130) = ( 0.1998404 0.3238792 0.5363404), wk = 0.0028249 k( 131) = ( 0.1907567 0.3091574 0.5363404), wk = 0.0028249 k( 132) = ( 0.1816731 0.2944356 0.5363404), wk = 0.0028249 k( 133) = ( 0.1725894 0.2797139 0.5363404), wk = 0.0028249 k( 134) = ( 0.1635058 0.2649921 0.5363404), wk = 0.0028249 k( 135) = ( 0.1544221 0.2502703 0.5363404), wk = 0.0028249 k( 136) = ( 0.1453385 0.2355485 0.5363404), wk = 0.0028249 k( 137) = ( 0.1362548 0.2208267 0.5363404), wk = 0.0028249 k( 138) = ( 0.1271711 0.2061050 0.5363404), wk = 0.0028249 k( 139) = ( 0.1180875 0.1913832 0.5363404), wk = 0.0028249 k( 140) = ( 0.1090038 0.1766614 0.5363404), wk = 0.0028249 k( 141) = ( 0.0999202 0.1619396 0.5363404), wk = 0.0028249 k( 142) = ( 0.0908365 0.1472178 0.5363404), wk = 0.0028249 k( 143) = ( 0.0817529 0.1324960 0.5363404), wk = 0.0028249 k( 144) = ( 0.0726692 0.1177743 0.5363404), wk = 0.0028249 k( 145) = ( 0.0635856 0.1030525 0.5363404), wk = 0.0028249 k( 146) = ( 0.0545019 0.0883307 0.5363404), wk = 0.0028249 k( 147) = ( 0.0454183 0.0736089 0.5363404), wk = 0.0028249 k( 148) = ( 0.0363346 0.0588871 0.5363404), wk = 0.0028249 k( 149) = ( 0.0272510 0.0441653 0.5363404), wk = 0.0028249 k( 150) = ( 0.0181673 0.0294436 0.5363404), wk = 0.0028249 k( 151) = ( 0.0090837 0.0147218 0.5363404), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5363404), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5363404), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.5190391), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.5017378), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4844365), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4671352), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4498339), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4325326), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.4152312), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3979299), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3806286), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3633273), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3460260), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3287247), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.3114234), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2941221), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2768208), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2595195), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2422182), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2249169), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.2076156), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1903143), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1730130), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1557117), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1384104), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1211091), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.1038078), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0865065), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0692052), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0519039), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0346026), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0173013), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0090738 0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0181477 0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0272215 0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0362954 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0453692 0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0544431 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.0635169 0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.0725907 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.0816646 0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.0907384 0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.0998123 0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1088861 0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1179599 0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.1270338 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.1361076 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.1451815 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.1542553 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.1633292 0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.1724030 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.1814768 0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.1905507 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.1996245 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.2086984 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.2177722 0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.2268461 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.2359199 0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.2449937 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.2540676 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.2631414 0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.2722153 0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.2812891 0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.2903630 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.2994368 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.3085106 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.3085106 0.0000000), wk = 0.0028249 k( 221) = ( -0.4908929 0.3232705 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4817857 0.3380303 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4726786 0.3527901 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4635715 0.3675499 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544644 0.3823098 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4453572 0.3970696 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4362501 0.4118294 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4271430 0.4265893 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4180358 0.4413491 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4089287 0.4561089 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3998216 0.4708688 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3907145 0.4856286 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3816073 0.5003884 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3725002 0.5151482 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3633931 0.5299081 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3542859 0.5446679 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3451788 0.5594277 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3451788 0.5594277 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3451788 0.5594277 0.0173013), wk = 0.0028249 k( 240) = ( -0.3451788 0.5594277 0.0346026), wk = 0.0028249 k( 241) = ( -0.3451788 0.5594277 0.0519039), wk = 0.0028249 k( 242) = ( -0.3451788 0.5594277 0.0692052), wk = 0.0028249 k( 243) = ( -0.3451788 0.5594277 0.0865065), wk = 0.0028249 k( 244) = ( -0.3451788 0.5594277 0.1038078), wk = 0.0028249 k( 245) = ( -0.3451788 0.5594277 0.1211091), wk = 0.0028249 k( 246) = ( -0.3451788 0.5594277 0.1384104), wk = 0.0028249 k( 247) = ( -0.3451788 0.5594277 0.1557117), wk = 0.0028249 k( 248) = ( -0.3451788 0.5594277 0.1730130), wk = 0.0028249 k( 249) = ( -0.3451788 0.5594277 0.1903143), wk = 0.0028249 k( 250) = ( -0.3451788 0.5594277 0.2076156), wk = 0.0028249 k( 251) = ( -0.3451788 0.5594277 0.2249169), wk = 0.0028249 k( 252) = ( -0.3451788 0.5594277 0.2422182), wk = 0.0028249 k( 253) = ( -0.3451788 0.5594277 0.2595195), wk = 0.0028249 k( 254) = ( -0.3451788 0.5594277 0.2768208), wk = 0.0028249 k( 255) = ( -0.3451788 0.5594277 0.2941221), wk = 0.0028249 k( 256) = ( -0.3451788 0.5594277 0.3114234), wk = 0.0028249 k( 257) = ( -0.3451788 0.5594277 0.3287247), wk = 0.0028249 k( 258) = ( -0.3451788 0.5594277 0.3460260), wk = 0.0028249 k( 259) = ( -0.3451788 0.5594277 0.3633273), wk = 0.0028249 k( 260) = ( -0.3451788 0.5594277 0.3806286), wk = 0.0028249 k( 261) = ( -0.3451788 0.5594277 0.3979299), wk = 0.0028249 k( 262) = ( -0.3451788 0.5594277 0.4152312), wk = 0.0028249 k( 263) = ( -0.3451788 0.5594277 0.4325326), wk = 0.0028249 k( 264) = ( -0.3451788 0.5594277 0.4498339), wk = 0.0028249 k( 265) = ( -0.3451788 0.5594277 0.4671352), wk = 0.0028249 k( 266) = ( -0.3451788 0.5594277 0.4844365), wk = 0.0028249 k( 267) = ( -0.3451788 0.5594277 0.5017378), wk = 0.0028249 k( 268) = ( -0.3451788 0.5594277 0.5190391), wk = 0.0028249 k( 269) = ( -0.3451788 0.5594277 0.5363404), wk = 0.0028249 k( 270) = ( -0.3451788 0.5594277 0.5363404), wk = 0.0028249 k( 271) = ( -0.3542859 0.5446679 0.5363404), wk = 0.0028249 k( 272) = ( -0.3633931 0.5299081 0.5363404), wk = 0.0028249 k( 273) = ( -0.3725002 0.5151482 0.5363404), wk = 0.0028249 k( 274) = ( -0.3816073 0.5003884 0.5363404), wk = 0.0028249 k( 275) = ( -0.3907145 0.4856286 0.5363404), wk = 0.0028249 k( 276) = ( -0.3998216 0.4708688 0.5363404), wk = 0.0028249 k( 277) = ( -0.4089287 0.4561089 0.5363404), wk = 0.0028249 k( 278) = ( -0.4180358 0.4413491 0.5363404), wk = 0.0028249 k( 279) = ( -0.4271430 0.4265893 0.5363404), wk = 0.0028249 k( 280) = ( -0.4362501 0.4118294 0.5363404), wk = 0.0028249 k( 281) = ( -0.4453572 0.3970696 0.5363404), wk = 0.0028249 k( 282) = ( -0.4544644 0.3823098 0.5363404), wk = 0.0028249 k( 283) = ( -0.4635715 0.3675499 0.5363404), wk = 0.0028249 k( 284) = ( -0.4726786 0.3527901 0.5363404), wk = 0.0028249 k( 285) = ( -0.4817857 0.3380303 0.5363404), wk = 0.0028249 k( 286) = ( -0.4908929 0.3232705 0.5363404), wk = 0.0028249 k( 287) = ( -0.5000000 0.3085106 0.5363404), wk = 0.0028249 k( 288) = ( -0.5000000 0.3085106 0.5363404), wk = 0.0028249 k( 289) = ( -0.5000000 0.3085106 0.5190391), wk = 0.0028249 k( 290) = ( -0.5000000 0.3085106 0.5017378), wk = 0.0028249 k( 291) = ( -0.5000000 0.3085106 0.4844365), wk = 0.0028249 k( 292) = ( -0.5000000 0.3085106 0.4671352), wk = 0.0028249 k( 293) = ( -0.5000000 0.3085106 0.4498339), wk = 0.0028249 k( 294) = ( -0.5000000 0.3085106 0.4325326), wk = 0.0028249 k( 295) = ( -0.5000000 0.3085106 0.4152312), wk = 0.0028249 k( 296) = ( -0.5000000 0.3085106 0.3979299), wk = 0.0028249 k( 297) = ( -0.5000000 0.3085106 0.3806286), wk = 0.0028249 k( 298) = ( -0.5000000 0.3085106 0.3633273), wk = 0.0028249 k( 299) = ( -0.5000000 0.3085106 0.3460260), wk = 0.0028249 k( 300) = ( -0.5000000 0.3085106 0.3287247), wk = 0.0028249 k( 301) = ( -0.5000000 0.3085106 0.3114234), wk = 0.0028249 k( 302) = ( -0.5000000 0.3085106 0.2941221), wk = 0.0028249 k( 303) = ( -0.5000000 0.3085106 0.2768208), wk = 0.0028249 k( 304) = ( -0.5000000 0.3085106 0.2595195), wk = 0.0028249 k( 305) = ( -0.5000000 0.3085106 0.2422182), wk = 0.0028249 k( 306) = ( -0.5000000 0.3085106 0.2249169), wk = 0.0028249 k( 307) = ( -0.5000000 0.3085106 0.2076156), wk = 0.0028249 k( 308) = ( -0.5000000 0.3085106 0.1903143), wk = 0.0028249 k( 309) = ( -0.5000000 0.3085106 0.1730130), wk = 0.0028249 k( 310) = ( -0.5000000 0.3085106 0.1557117), wk = 0.0028249 k( 311) = ( -0.5000000 0.3085106 0.1384104), wk = 0.0028249 k( 312) = ( -0.5000000 0.3085106 0.1211091), wk = 0.0028249 k( 313) = ( -0.5000000 0.3085106 0.1038078), wk = 0.0028249 k( 314) = ( -0.5000000 0.3085106 0.0865065), wk = 0.0028249 k( 315) = ( -0.5000000 0.3085106 0.0692052), wk = 0.0028249 k( 316) = ( -0.5000000 0.3085106 0.0519039), wk = 0.0028249 k( 317) = ( -0.5000000 0.3085106 0.0346026), wk = 0.0028249 k( 318) = ( -0.5000000 0.3085106 0.0173013), wk = 0.0028249 k( 319) = ( -0.5000000 0.3085106 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5363404), wk = 0.0028249 k( 321) = ( -0.0147059 0.0090738 0.5363404), wk = 0.0028249 k( 322) = ( -0.0294118 0.0181477 0.5363404), wk = 0.0028249 k( 323) = ( -0.0441177 0.0272215 0.5363404), wk = 0.0028249 k( 324) = ( -0.0588235 0.0362954 0.5363404), wk = 0.0028249 k( 325) = ( -0.0735294 0.0453692 0.5363404), wk = 0.0028249 k( 326) = ( -0.0882353 0.0544431 0.5363404), wk = 0.0028249 k( 327) = ( -0.1029412 0.0635169 0.5363404), wk = 0.0028249 k( 328) = ( -0.1176471 0.0725907 0.5363404), wk = 0.0028249 k( 329) = ( -0.1323529 0.0816646 0.5363404), wk = 0.0028249 k( 330) = ( -0.1470588 0.0907384 0.5363404), wk = 0.0028249 k( 331) = ( -0.1617647 0.0998123 0.5363404), wk = 0.0028249 k( 332) = ( -0.1764706 0.1088861 0.5363404), wk = 0.0028249 k( 333) = ( -0.1911765 0.1179599 0.5363404), wk = 0.0028249 k( 334) = ( -0.2058823 0.1270338 0.5363404), wk = 0.0028249 k( 335) = ( -0.2205882 0.1361076 0.5363404), wk = 0.0028249 k( 336) = ( -0.2352941 0.1451815 0.5363404), wk = 0.0028249 k( 337) = ( -0.2500000 0.1542553 0.5363404), wk = 0.0028249 k( 338) = ( -0.2647059 0.1633292 0.5363404), wk = 0.0028249 k( 339) = ( -0.2794118 0.1724030 0.5363404), wk = 0.0028249 k( 340) = ( -0.2941177 0.1814768 0.5363404), wk = 0.0028249 k( 341) = ( -0.3088235 0.1905507 0.5363404), wk = 0.0028249 k( 342) = ( -0.3235294 0.1996245 0.5363404), wk = 0.0028249 k( 343) = ( -0.3382353 0.2086984 0.5363404), wk = 0.0028249 k( 344) = ( -0.3529412 0.2177722 0.5363404), wk = 0.0028249 k( 345) = ( -0.3676471 0.2268461 0.5363404), wk = 0.0028249 k( 346) = ( -0.3823529 0.2359199 0.5363404), wk = 0.0028249 k( 347) = ( -0.3970588 0.2449937 0.5363404), wk = 0.0028249 k( 348) = ( -0.4117647 0.2540676 0.5363404), wk = 0.0028249 k( 349) = ( -0.4264706 0.2631414 0.5363404), wk = 0.0028249 k( 350) = ( -0.4411765 0.2722153 0.5363404), wk = 0.0028249 k( 351) = ( -0.4558823 0.2812891 0.5363404), wk = 0.0028249 k( 352) = ( -0.4705882 0.2903630 0.5363404), wk = 0.0028249 k( 353) = ( -0.4852941 0.2994368 0.5363404), wk = 0.0028249 k( 354) = ( -0.5000000 0.3085106 0.5363404), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090837 0.0090837 0.0000000), wk = 0.0028249 k( 3) = ( 0.0181673 0.0181673 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272510 0.0272510 0.0000000), wk = 0.0028249 k( 5) = ( 0.0363346 0.0363346 0.0000000), wk = 0.0028249 k( 6) = ( 0.0454183 0.0454183 0.0000000), wk = 0.0028249 k( 7) = ( 0.0545019 0.0545019 0.0000000), wk = 0.0028249 k( 8) = ( 0.0635856 0.0635856 0.0000000), wk = 0.0028249 k( 9) = ( 0.0726692 0.0726692 0.0000000), wk = 0.0028249 k( 10) = ( 0.0817529 0.0817529 0.0000000), wk = 0.0028249 k( 11) = ( 0.0908365 0.0908365 0.0000000), wk = 0.0028249 k( 12) = ( 0.0999202 0.0999202 0.0000000), wk = 0.0028249 k( 13) = ( 0.1090038 0.1090038 0.0000000), wk = 0.0028249 k( 14) = ( 0.1180875 0.1180875 0.0000000), wk = 0.0028249 k( 15) = ( 0.1271711 0.1271711 0.0000000), wk = 0.0028249 k( 16) = ( 0.1362548 0.1362548 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1453385 0.1453385 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544221 0.1544221 0.0000000), wk = 0.0028249 k( 19) = ( 0.1635058 0.1635057 0.0000000), wk = 0.0028249 k( 20) = ( 0.1725894 0.1725894 0.0000000), wk = 0.0028249 k( 21) = ( 0.1816731 0.1816731 0.0000000), wk = 0.0028249 k( 22) = ( 0.1907567 0.1907567 0.0000000), wk = 0.0028249 k( 23) = ( 0.1998404 0.1998404 0.0000000), wk = 0.0028249 k( 24) = ( 0.2089240 0.2089240 0.0000000), wk = 0.0028249 k( 25) = ( 0.2180077 0.2180077 0.0000000), wk = 0.0028249 k( 26) = ( 0.2270913 0.2270913 0.0000000), wk = 0.0028249 k( 27) = ( 0.2361750 0.2361750 0.0000000), wk = 0.0028249 k( 28) = ( 0.2452586 0.2452586 0.0000000), wk = 0.0028249 k( 29) = ( 0.2543423 0.2543423 0.0000000), wk = 0.0028249 k( 30) = ( 0.2634259 0.2634259 0.0000000), wk = 0.0028249 k( 31) = ( 0.2725096 0.2725096 0.0000000), wk = 0.0028249 k( 32) = ( 0.2815932 0.2815932 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2906769 0.2906769 -0.0000000), wk = 0.0028249 k( 34) = ( 0.2997606 0.2997606 0.0000000), wk = 0.0028249 k( 35) = ( 0.3088442 0.3088442 0.0000000), wk = 0.0028249 k( 36) = ( 0.3179279 0.3179279 0.0000000), wk = 0.0028249 k( 37) = ( 0.3270115 0.3270115 0.0000000), wk = 0.0028249 k( 38) = ( 0.3360952 0.3360952 0.0000000), wk = 0.0028249 k( 39) = ( 0.3451788 0.3451788 0.0000000), wk = 0.0028249 k( 40) = ( 0.3451788 0.3451788 0.0000000), wk = 0.0028249 k( 41) = ( 0.3279199 0.3529199 0.0000000), wk = 0.0028249 k( 42) = ( 0.3106609 0.3606609 0.0000000), wk = 0.0028249 k( 43) = ( 0.2934020 0.3684020 0.0000000), wk = 0.0028249 k( 44) = ( 0.2761431 0.3761430 0.0000000), wk = 0.0028249 k( 45) = ( 0.2588841 0.3838841 0.0000000), wk = 0.0028249 k( 46) = ( 0.2416252 0.3916252 0.0000000), wk = 0.0028249 k( 47) = ( 0.2243662 0.3993662 0.0000000), wk = 0.0028249 k( 48) = ( 0.2071073 0.4071073 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1898483 0.4148483 0.0000000), wk = 0.0028249 k( 50) = ( 0.1725894 0.4225894 0.0000000), wk = 0.0028249 k( 51) = ( 0.1553305 0.4303305 0.0000000), wk = 0.0028249 k( 52) = ( 0.1380715 0.4380715 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208126 0.4458126 0.0000000), wk = 0.0028249 k( 54) = ( 0.1035536 0.4535536 0.0000000), wk = 0.0028249 k( 55) = ( 0.0862947 0.4612947 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690358 0.4690358 0.0000000), wk = 0.0028249 k( 57) = ( 0.0517768 0.4767768 0.0000000), wk = 0.0028249 k( 58) = ( 0.0345179 0.4845179 0.0000000), wk = 0.0028249 k( 59) = ( 0.0172589 0.4922589 0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028249 k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028249 k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028249 k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028249 k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028249 k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028249 k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028249 k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028249 k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028249 k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028249 k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028249 k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028249 k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028249 k( 75) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0028249 k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028249 k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028249 k( 78) = ( 0.0000000 0.5000000 0.2741935), wk = 0.0028249 k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028249 k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028249 k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028249 k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028249 k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028249 k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028249 k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028249 k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028249 k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028249 k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028249 k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028249 k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028249 k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028249 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 94) = ( 0.0172589 0.4922589 0.5000000), wk = 0.0028249 k( 95) = ( 0.0345179 0.4845179 0.5000000), wk = 0.0028249 k( 96) = ( 0.0517768 0.4767768 0.5000000), wk = 0.0028249 k( 97) = ( 0.0690358 0.4690358 0.5000000), wk = 0.0028249 k( 98) = ( 0.0862947 0.4612947 0.5000000), wk = 0.0028249 k( 99) = ( 0.1035536 0.4535536 0.5000000), wk = 0.0028249 k( 100) = ( 0.1208126 0.4458126 0.5000000), wk = 0.0028249 k( 101) = ( 0.1380715 0.4380715 0.5000000), wk = 0.0028249 k( 102) = ( 0.1553305 0.4303305 0.5000000), wk = 0.0028249 k( 103) = ( 0.1725894 0.4225894 0.5000000), wk = 0.0028249 k( 104) = ( 0.1898483 0.4148483 0.5000000), wk = 0.0028249 k( 105) = ( 0.2071073 0.4071073 0.5000000), wk = 0.0028249 k( 106) = ( 0.2243662 0.3993662 0.5000000), wk = 0.0028249 k( 107) = ( 0.2416252 0.3916252 0.5000000), wk = 0.0028249 k( 108) = ( 0.2588841 0.3838841 0.5000000), wk = 0.0028249 k( 109) = ( 0.2761431 0.3761430 0.5000000), wk = 0.0028249 k( 110) = ( 0.2934020 0.3684020 0.5000000), wk = 0.0028249 k( 111) = ( 0.3106609 0.3606609 0.5000000), wk = 0.0028249 k( 112) = ( 0.3279199 0.3529199 0.5000000), wk = 0.0028249 k( 113) = ( 0.3451788 0.3451788 0.5000000), wk = 0.0028249 k( 114) = ( 0.3451788 0.3451788 0.5000000), wk = 0.0028249 k( 115) = ( 0.3360952 0.3360952 0.5000000), wk = 0.0028249 k( 116) = ( 0.3270115 0.3270115 0.5000000), wk = 0.0028249 k( 117) = ( 0.3179279 0.3179279 0.5000000), wk = 0.0028249 k( 118) = ( 0.3088442 0.3088442 0.5000000), wk = 0.0028249 k( 119) = ( 0.2997606 0.2997606 0.5000000), wk = 0.0028249 k( 120) = ( 0.2906769 0.2906769 0.5000000), wk = 0.0028249 k( 121) = ( 0.2815932 0.2815932 0.5000000), wk = 0.0028249 k( 122) = ( 0.2725096 0.2725096 0.5000000), wk = 0.0028249 k( 123) = ( 0.2634259 0.2634259 0.5000000), wk = 0.0028249 k( 124) = ( 0.2543423 0.2543423 0.5000000), wk = 0.0028249 k( 125) = ( 0.2452586 0.2452586 0.5000000), wk = 0.0028249 k( 126) = ( 0.2361750 0.2361750 0.5000000), wk = 0.0028249 k( 127) = ( 0.2270913 0.2270913 0.5000000), wk = 0.0028249 k( 128) = ( 0.2180077 0.2180077 0.5000000), wk = 0.0028249 k( 129) = ( 0.2089240 0.2089240 0.5000000), wk = 0.0028249 k( 130) = ( 0.1998404 0.1998404 0.5000000), wk = 0.0028249 k( 131) = ( 0.1907567 0.1907567 0.5000000), wk = 0.0028249 k( 132) = ( 0.1816731 0.1816731 0.5000000), wk = 0.0028249 k( 133) = ( 0.1725894 0.1725894 0.5000000), wk = 0.0028249 k( 134) = ( 0.1635058 0.1635057 0.5000000), wk = 0.0028249 k( 135) = ( 0.1544221 0.1544221 0.5000000), wk = 0.0028249 k( 136) = ( 0.1453385 0.1453385 0.5000000), wk = 0.0028249 k( 137) = ( 0.1362548 0.1362548 0.5000000), wk = 0.0028249 k( 138) = ( 0.1271711 0.1271711 0.5000000), wk = 0.0028249 k( 139) = ( 0.1180875 0.1180875 0.5000000), wk = 0.0028249 k( 140) = ( 0.1090038 0.1090038 0.5000000), wk = 0.0028249 k( 141) = ( 0.0999202 0.0999202 0.5000000), wk = 0.0028249 k( 142) = ( 0.0908365 0.0908365 0.5000000), wk = 0.0028249 k( 143) = ( 0.0817529 0.0817529 0.5000000), wk = 0.0028249 k( 144) = ( 0.0726692 0.0726692 0.5000000), wk = 0.0028249 k( 145) = ( 0.0635856 0.0635856 0.5000000), wk = 0.0028249 k( 146) = ( 0.0545019 0.0545019 0.5000000), wk = 0.0028249 k( 147) = ( 0.0454183 0.0454183 0.5000000), wk = 0.0028249 k( 148) = ( 0.0363346 0.0363346 0.5000000), wk = 0.0028249 k( 149) = ( 0.0272510 0.0272510 0.5000000), wk = 0.0028249 k( 150) = ( 0.0181673 0.0181673 0.5000000), wk = 0.0028249 k( 151) = ( 0.0090837 0.0090837 0.5000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3225806), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2741935), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1774193), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0147059 -0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0294118 -0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0441176 -0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0588235 -0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0735294 -0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0882353 -0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.1029412 -0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.1176471 -0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.1323529 -0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.1470588 -0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.1617647 -0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1764706 -0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1911765 -0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.2058823 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.2205882 -0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.2352941 -0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.2794118 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.2941177 -0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.3088235 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.3235294 -0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.3382353 -0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.3529412 -0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.3676471 -0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.3970588 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.4117647 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.4264706 -0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.4411765 -0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.4558823 -0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.4705882 -0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.4852941 -0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 221) = ( -0.4908929 0.5091071 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4817857 0.5182143 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4726786 0.5273214 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4635715 0.5364285 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544644 0.5455356 0.0000000), wk = 0.0028249 k( 226) = ( -0.4453572 0.5546428 0.0000000), wk = 0.0028249 k( 227) = ( -0.4362501 0.5637499 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4271430 0.5728570 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4180358 0.5819642 0.0000000), wk = 0.0028249 k( 230) = ( -0.4089287 0.5910713 0.0000000), wk = 0.0028249 k( 231) = ( -0.3998216 0.6001784 0.0000000), wk = 0.0028249 k( 232) = ( -0.3907145 0.6092855 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3816073 0.6183927 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3725002 0.6274998 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3633931 0.6366069 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3542859 0.6457141 0.0000000), wk = 0.0028249 k( 237) = ( -0.3451788 0.6548212 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3451788 0.6548212 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3451788 0.6548212 0.0161290), wk = 0.0028249 k( 240) = ( -0.3451788 0.6548212 0.0322581), wk = 0.0028249 k( 241) = ( -0.3451788 0.6548212 0.0483871), wk = 0.0028249 k( 242) = ( -0.3451788 0.6548212 0.0645161), wk = 0.0028249 k( 243) = ( -0.3451788 0.6548212 0.0806452), wk = 0.0028249 k( 244) = ( -0.3451788 0.6548212 0.0967742), wk = 0.0028249 k( 245) = ( -0.3451788 0.6548212 0.1129032), wk = 0.0028249 k( 246) = ( -0.3451788 0.6548212 0.1290323), wk = 0.0028249 k( 247) = ( -0.3451788 0.6548212 0.1451613), wk = 0.0028249 k( 248) = ( -0.3451788 0.6548212 0.1612903), wk = 0.0028249 k( 249) = ( -0.3451788 0.6548212 0.1774194), wk = 0.0028249 k( 250) = ( -0.3451788 0.6548212 0.1935484), wk = 0.0028249 k( 251) = ( -0.3451788 0.6548212 0.2096774), wk = 0.0028249 k( 252) = ( -0.3451788 0.6548212 0.2258064), wk = 0.0028249 k( 253) = ( -0.3451788 0.6548212 0.2419355), wk = 0.0028249 k( 254) = ( -0.3451788 0.6548212 0.2580645), wk = 0.0028249 k( 255) = ( -0.3451788 0.6548212 0.2741935), wk = 0.0028249 k( 256) = ( -0.3451788 0.6548212 0.2903226), wk = 0.0028249 k( 257) = ( -0.3451788 0.6548212 0.3064516), wk = 0.0028249 k( 258) = ( -0.3451788 0.6548212 0.3225806), wk = 0.0028249 k( 259) = ( -0.3451788 0.6548212 0.3387097), wk = 0.0028249 k( 260) = ( -0.3451788 0.6548212 0.3548387), wk = 0.0028249 k( 261) = ( -0.3451788 0.6548212 0.3709677), wk = 0.0028249 k( 262) = ( -0.3451788 0.6548212 0.3870968), wk = 0.0028249 k( 263) = ( -0.3451788 0.6548212 0.4032258), wk = 0.0028249 k( 264) = ( -0.3451788 0.6548212 0.4193548), wk = 0.0028249 k( 265) = ( -0.3451788 0.6548212 0.4354839), wk = 0.0028249 k( 266) = ( -0.3451788 0.6548212 0.4516129), wk = 0.0028249 k( 267) = ( -0.3451788 0.6548212 0.4677419), wk = 0.0028249 k( 268) = ( -0.3451788 0.6548212 0.4838710), wk = 0.0028249 k( 269) = ( -0.3451788 0.6548212 0.5000000), wk = 0.0028249 k( 270) = ( -0.3451788 0.6548212 0.5000000), wk = 0.0028249 k( 271) = ( -0.3542859 0.6457141 0.5000000), wk = 0.0028249 k( 272) = ( -0.3633931 0.6366069 0.5000000), wk = 0.0028249 k( 273) = ( -0.3725002 0.6274998 0.5000000), wk = 0.0028249 k( 274) = ( -0.3816073 0.6183927 0.5000000), wk = 0.0028249 k( 275) = ( -0.3907145 0.6092855 0.5000000), wk = 0.0028249 k( 276) = ( -0.3998216 0.6001784 0.5000000), wk = 0.0028249 k( 277) = ( -0.4089287 0.5910713 0.5000000), wk = 0.0028249 k( 278) = ( -0.4180358 0.5819642 0.5000000), wk = 0.0028249 k( 279) = ( -0.4271430 0.5728570 0.5000000), wk = 0.0028249 k( 280) = ( -0.4362501 0.5637499 0.5000000), wk = 0.0028249 k( 281) = ( -0.4453572 0.5546428 0.5000000), wk = 0.0028249 k( 282) = ( -0.4544644 0.5455356 0.5000000), wk = 0.0028249 k( 283) = ( -0.4635715 0.5364285 0.5000000), wk = 0.0028249 k( 284) = ( -0.4726786 0.5273214 0.5000000), wk = 0.0028249 k( 285) = ( -0.4817857 0.5182143 0.5000000), wk = 0.0028249 k( 286) = ( -0.4908929 0.5091071 0.5000000), wk = 0.0028249 k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 288) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 289) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028249 k( 290) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028249 k( 291) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028249 k( 292) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028249 k( 293) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028249 k( 294) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028249 k( 295) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028249 k( 296) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028249 k( 297) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028249 k( 298) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028249 k( 299) = ( -0.5000000 0.5000000 0.3225806), wk = 0.0028249 k( 300) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028249 k( 301) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028249 k( 302) = ( -0.5000000 0.5000000 0.2741935), wk = 0.0028249 k( 303) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028249 k( 304) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028249 k( 305) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0028249 k( 306) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028249 k( 307) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028249 k( 308) = ( -0.5000000 0.5000000 0.1774193), wk = 0.0028249 k( 309) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028249 k( 310) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028249 k( 311) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028249 k( 312) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028249 k( 313) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028249 k( 314) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028249 k( 315) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028249 k( 316) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028249 k( 317) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028249 k( 318) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028249 k( 319) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 321) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028249 k( 322) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028249 k( 323) = ( -0.0441177 0.0441176 0.5000000), wk = 0.0028249 k( 324) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028249 k( 325) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028249 k( 326) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028249 k( 327) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028249 k( 328) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028249 k( 329) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028249 k( 330) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028249 k( 331) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028249 k( 332) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028249 k( 333) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028249 k( 334) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028249 k( 335) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028249 k( 336) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028249 k( 337) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028249 k( 338) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028249 k( 339) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028249 k( 340) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0028249 k( 341) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028249 k( 342) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028249 k( 343) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028249 k( 344) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028249 k( 345) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028249 k( 346) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028249 k( 347) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028249 k( 348) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028249 k( 349) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028249 k( 350) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028249 k( 351) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0028249 k( 352) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028249 k( 353) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028249 k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 90559 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 40075 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 216, 58) NL pseudopotentials 0.23 Mb ( 108, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1889) G-vector shells 0.01 Mb ( 945) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 216, 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 44.0 secs Computing kpt #: 2 total cpu time spent up to now is 48.6 secs Computing kpt #: 3 total cpu time spent up to now is 52.8 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.6 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.7 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.2 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 75.8 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.8 secs Computing kpt #: 9 total cpu time spent up to now is 84.4 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.4 secs Computing kpt #: 11 total cpu time spent up to now is 94.7 secs Computing kpt #: 12 total cpu time spent up to now is 98.6 secs Computing kpt #: 13 total cpu time spent up to now is 102.9 secs Computing kpt #: 14 total cpu time spent up to now is 106.2 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.8 secs Computing kpt #: 16 total cpu time spent up to now is 117.3 secs Computing kpt #: 17 total cpu time spent up to now is 120.7 secs Computing kpt #: 18 total cpu time spent up to now is 123.4 secs Computing kpt #: 19 total cpu time spent up to now is 126.3 secs Computing kpt #: 20 total cpu time spent up to now is 131.0 secs Computing kpt #: 21 total cpu time spent up to now is 133.9 secs Computing kpt #: 22 total cpu time spent up to now is 136.3 secs Computing kpt #: 23 total cpu time spent up to now is 138.5 secs Computing kpt #: 24 total cpu time spent up to now is 141.0 secs Computing kpt #: 25 total cpu time spent up to now is 145.8 secs Computing kpt #: 26 total cpu time spent up to now is 148.2 secs Computing kpt #: 27 total cpu time spent up to now is 150.4 secs Computing kpt #: 28 total cpu time spent up to now is 152.7 secs Computing kpt #: 29 total cpu time spent up to now is 155.3 secs Computing kpt #: 30 total cpu time spent up to now is 158.1 secs Computing kpt #: 31 total cpu time spent up to now is 161.1 secs Computing kpt #: 32 total cpu time spent up to now is 165.4 secs Computing kpt #: 33 total cpu time spent up to now is 167.6 secs Computing kpt #: 34 total cpu time spent up to now is 169.8 secs Computing kpt #: 35 total cpu time spent up to now is 172.0 secs Computing kpt #: 36 total cpu time spent up to now is 174.2 secs Computing kpt #: 37 total cpu time spent up to now is 176.6 secs Computing kpt #: 38 total cpu time spent up to now is 180.4 secs Computing kpt #: 39 total cpu time spent up to now is 184.1 secs Computing kpt #: 40 total cpu time spent up to now is 186.4 secs Computing kpt #: 41 total cpu time spent up to now is 188.7 secs Computing kpt #: 42 total cpu time spent up to now is 191.4 secs Computing kpt #: 43 total cpu time spent up to now is 194.0 secs Computing kpt #: 44 total cpu time spent up to now is 196.8 secs Computing kpt #: 45 total cpu time spent up to now is 199.7 secs Computing kpt #: 46 total cpu time spent up to now is 202.2 secs Computing kpt #: 47 total cpu time spent up to now is 204.8 secs Computing kpt #: 48 total cpu time spent up to now is 207.6 secs Computing kpt #: 49 total cpu time spent up to now is 210.5 secs Computing kpt #: 50 total cpu time spent up to now is 213.2 secs Computing kpt #: 51 total cpu time spent up to now is 216.1 secs Computing kpt #: 52 total cpu time spent up to now is 218.8 secs Computing kpt #: 53 total cpu time spent up to now is 221.9 secs Computing kpt #: 54 total cpu time spent up to now is 225.1 secs Computing kpt #: 55 total cpu time spent up to now is 228.2 secs Computing kpt #: 56 total cpu time spent up to now is 231.0 secs Computing kpt #: 57 total cpu time spent up to now is 234.3 secs Computing kpt #: 58 total cpu time spent up to now is 237.7 secs Computing kpt #: 59 total cpu time spent up to now is 240.9 secs Computing kpt #: 60 total cpu time spent up to now is 244.2 secs Computing kpt #: 61 total cpu time spent up to now is 248.0 secs Computing kpt #: 62 total cpu time spent up to now is 250.9 secs Computing kpt #: 63 total cpu time spent up to now is 254.1 secs Computing kpt #: 64 total cpu time spent up to now is 257.2 secs Computing kpt #: 65 total cpu time spent up to now is 259.9 secs Computing kpt #: 66 total cpu time spent up to now is 262.4 secs Computing kpt #: 67 total cpu time spent up to now is 265.1 secs Computing kpt #: 68 total cpu time spent up to now is 267.7 secs Computing kpt #: 69 total cpu time spent up to now is 270.4 secs Computing kpt #: 70 total cpu time spent up to now is 273.2 secs Computing kpt #: 71 total cpu time spent up to now is 275.9 secs Computing kpt #: 72 total cpu time spent up to now is 278.7 secs Computing kpt #: 73 total cpu time spent up to now is 281.5 secs Computing kpt #: 74 total cpu time spent up to now is 284.2 secs Computing kpt #: 75 total cpu time spent up to now is 287.6 secs Computing kpt #: 76 total cpu time spent up to now is 291.4 secs Computing kpt #: 77 total cpu time spent up to now is 295.2 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.2 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.1 secs Computing kpt #: 80 total cpu time spent up to now is 309.8 secs Computing kpt #: 81 total cpu time spent up to now is 315.0 secs Computing kpt #: 82 total cpu time spent up to now is 318.4 secs Computing kpt #: 83 total cpu time spent up to now is 321.8 secs Computing kpt #: 84 total cpu time spent up to now is 325.3 secs Computing kpt #: 85 total cpu time spent up to now is 327.9 secs Computing kpt #: 86 total cpu time spent up to now is 332.2 secs Computing kpt #: 87 total cpu time spent up to now is 335.1 secs Computing kpt #: 88 total cpu time spent up to now is 338.0 secs Computing kpt #: 89 total cpu time spent up to now is 342.5 secs Computing kpt #: 90 total cpu time spent up to now is 347.6 secs Computing kpt #: 91 total cpu time spent up to now is 350.2 secs Computing kpt #: 92 total cpu time spent up to now is 353.4 secs Computing kpt #: 93 total cpu time spent up to now is 356.9 secs Computing kpt #: 94 total cpu time spent up to now is 360.5 secs Computing kpt #: 95 total cpu time spent up to now is 363.4 secs Computing kpt #: 96 total cpu time spent up to now is 365.9 secs Computing kpt #: 97 total cpu time spent up to now is 368.7 secs Computing kpt #: 98 total cpu time spent up to now is 371.6 secs Computing kpt #: 99 total cpu time spent up to now is 375.0 secs Computing kpt #: 100 total cpu time spent up to now is 377.9 secs Computing kpt #: 101 total cpu time spent up to now is 380.7 secs Computing kpt #: 102 total cpu time spent up to now is 383.6 secs Computing kpt #: 103 total cpu time spent up to now is 386.4 secs Computing kpt #: 104 total cpu time spent up to now is 389.1 secs Computing kpt #: 105 total cpu time spent up to now is 392.0 secs Computing kpt #: 106 total cpu time spent up to now is 394.8 secs Computing kpt #: 107 total cpu time spent up to now is 397.5 secs Computing kpt #: 108 total cpu time spent up to now is 400.3 secs Computing kpt #: 109 total cpu time spent up to now is 403.1 secs Computing kpt #: 110 total cpu time spent up to now is 406.0 secs Computing kpt #: 111 total cpu time spent up to now is 409.0 secs Computing kpt #: 112 total cpu time spent up to now is 412.4 secs Computing kpt #: 113 total cpu time spent up to now is 415.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.6 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 425.3 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 429.9 secs Computing kpt #: 117 total cpu time spent up to now is 433.3 secs Computing kpt #: 118 total cpu time spent up to now is 437.2 secs Computing kpt #: 119 total cpu time spent up to now is 440.1 secs Computing kpt #: 120 total cpu time spent up to now is 443.4 secs Computing kpt #: 121 total cpu time spent up to now is 446.5 secs Computing kpt #: 122 total cpu time spent up to now is 449.3 secs Computing kpt #: 123 total cpu time spent up to now is 452.7 secs Computing kpt #: 124 total cpu time spent up to now is 455.1 secs Computing kpt #: 125 total cpu time spent up to now is 457.4 secs Computing kpt #: 126 total cpu time spent up to now is 460.2 secs Computing kpt #: 127 total cpu time spent up to now is 463.8 secs Computing kpt #: 128 total cpu time spent up to now is 466.6 secs Computing kpt #: 129 total cpu time spent up to now is 470.0 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 474.7 secs Computing kpt #: 131 total cpu time spent up to now is 479.2 secs Computing kpt #: 132 total cpu time spent up to now is 483.5 secs Computing kpt #: 133 total cpu time spent up to now is 487.5 secs Computing kpt #: 134 total cpu time spent up to now is 492.0 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.6 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.3 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.2 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.9 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.9 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 520.7 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 525.4 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 530.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 535.2 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.2 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.3 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 550.0 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.0 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.6 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.6 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 569.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 574.6 secs Computing kpt #: 152 total cpu time spent up to now is 576.9 secs Computing kpt #: 153 total cpu time spent up to now is 579.2 secs Computing kpt #: 154 total cpu time spent up to now is 581.5 secs Computing kpt #: 155 total cpu time spent up to now is 584.3 secs Computing kpt #: 156 total cpu time spent up to now is 586.8 secs Computing kpt #: 157 total cpu time spent up to now is 589.4 secs Computing kpt #: 158 total cpu time spent up to now is 591.7 secs Computing kpt #: 159 total cpu time spent up to now is 594.0 secs Computing kpt #: 160 total cpu time spent up to now is 596.3 secs Computing kpt #: 161 total cpu time spent up to now is 598.7 secs Computing kpt #: 162 total cpu time spent up to now is 600.8 secs Computing kpt #: 163 total cpu time spent up to now is 602.9 secs Computing kpt #: 164 total cpu time spent up to now is 604.9 secs Computing kpt #: 165 total cpu time spent up to now is 607.3 secs Computing kpt #: 166 total cpu time spent up to now is 609.2 secs Computing kpt #: 167 total cpu time spent up to now is 611.2 secs Computing kpt #: 168 total cpu time spent up to now is 613.1 secs Computing kpt #: 169 total cpu time spent up to now is 615.2 secs Computing kpt #: 170 total cpu time spent up to now is 617.3 secs Computing kpt #: 171 total cpu time spent up to now is 619.3 secs Computing kpt #: 172 total cpu time spent up to now is 621.4 secs Computing kpt #: 173 total cpu time spent up to now is 623.5 secs Computing kpt #: 174 total cpu time spent up to now is 626.0 secs Computing kpt #: 175 total cpu time spent up to now is 628.1 secs Computing kpt #: 176 total cpu time spent up to now is 630.3 secs Computing kpt #: 177 total cpu time spent up to now is 632.5 secs Computing kpt #: 178 total cpu time spent up to now is 634.9 secs Computing kpt #: 179 total cpu time spent up to now is 637.3 secs Computing kpt #: 180 total cpu time spent up to now is 640.6 secs Computing kpt #: 181 total cpu time spent up to now is 645.0 secs Computing kpt #: 182 total cpu time spent up to now is 648.6 secs Computing kpt #: 183 total cpu time spent up to now is 652.0 secs Computing kpt #: 184 total cpu time spent up to now is 655.5 secs Computing kpt #: 185 total cpu time spent up to now is 659.0 secs Computing kpt #: 186 total cpu time spent up to now is 663.0 secs Computing kpt #: 187 total cpu time spent up to now is 666.7 secs Computing kpt #: 188 total cpu time spent up to now is 670.1 secs Computing kpt #: 189 total cpu time spent up to now is 673.5 secs Computing kpt #: 190 total cpu time spent up to now is 676.4 secs Computing kpt #: 191 total cpu time spent up to now is 679.2 secs Computing kpt #: 192 total cpu time spent up to now is 682.0 secs Computing kpt #: 193 total cpu time spent up to now is 684.7 secs Computing kpt #: 194 total cpu time spent up to now is 687.4 secs Computing kpt #: 195 total cpu time spent up to now is 690.6 secs Computing kpt #: 196 total cpu time spent up to now is 693.0 secs Computing kpt #: 197 total cpu time spent up to now is 695.3 secs Computing kpt #: 198 total cpu time spent up to now is 697.6 secs Computing kpt #: 199 total cpu time spent up to now is 699.9 secs Computing kpt #: 200 total cpu time spent up to now is 702.1 secs Computing kpt #: 201 total cpu time spent up to now is 704.3 secs Computing kpt #: 202 total cpu time spent up to now is 706.7 secs Computing kpt #: 203 total cpu time spent up to now is 708.9 secs Computing kpt #: 204 total cpu time spent up to now is 711.0 secs Computing kpt #: 205 total cpu time spent up to now is 713.3 secs Computing kpt #: 206 total cpu time spent up to now is 716.6 secs Computing kpt #: 207 total cpu time spent up to now is 718.7 secs Computing kpt #: 208 total cpu time spent up to now is 720.8 secs Computing kpt #: 209 total cpu time spent up to now is 723.7 secs Computing kpt #: 210 total cpu time spent up to now is 726.1 secs Computing kpt #: 211 total cpu time spent up to now is 728.3 secs Computing kpt #: 212 total cpu time spent up to now is 730.6 secs Computing kpt #: 213 total cpu time spent up to now is 732.8 secs Computing kpt #: 214 total cpu time spent up to now is 735.5 secs Computing kpt #: 215 total cpu time spent up to now is 737.8 secs Computing kpt #: 216 total cpu time spent up to now is 740.7 secs Computing kpt #: 217 total cpu time spent up to now is 743.3 secs Computing kpt #: 218 total cpu time spent up to now is 746.8 secs Computing kpt #: 219 total cpu time spent up to now is 750.0 secs Computing kpt #: 220 total cpu time spent up to now is 753.1 secs Computing kpt #: 221 total cpu time spent up to now is 756.7 secs Computing kpt #: 222 total cpu time spent up to now is 760.0 secs Computing kpt #: 223 total cpu time spent up to now is 763.4 secs Computing kpt #: 224 total cpu time spent up to now is 766.2 secs Computing kpt #: 225 total cpu time spent up to now is 768.9 secs Computing kpt #: 226 total cpu time spent up to now is 771.4 secs Computing kpt #: 227 total cpu time spent up to now is 774.2 secs Computing kpt #: 228 total cpu time spent up to now is 777.0 secs Computing kpt #: 229 total cpu time spent up to now is 780.0 secs Computing kpt #: 230 total cpu time spent up to now is 782.7 secs Computing kpt #: 231 total cpu time spent up to now is 785.5 secs Computing kpt #: 232 total cpu time spent up to now is 788.7 secs Computing kpt #: 233 total cpu time spent up to now is 791.5 secs Computing kpt #: 234 total cpu time spent up to now is 795.0 secs Computing kpt #: 235 total cpu time spent up to now is 798.7 secs Computing kpt #: 236 total cpu time spent up to now is 801.0 secs Computing kpt #: 237 total cpu time spent up to now is 803.7 secs Computing kpt #: 238 total cpu time spent up to now is 806.4 secs Computing kpt #: 239 total cpu time spent up to now is 809.1 secs Computing kpt #: 240 total cpu time spent up to now is 811.9 secs Computing kpt #: 241 total cpu time spent up to now is 814.7 secs Computing kpt #: 242 total cpu time spent up to now is 817.3 secs Computing kpt #: 243 total cpu time spent up to now is 820.7 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 825.6 secs Computing kpt #: 245 total cpu time spent up to now is 829.0 secs Computing kpt #: 246 total cpu time spent up to now is 832.3 secs Computing kpt #: 247 total cpu time spent up to now is 835.1 secs Computing kpt #: 248 total cpu time spent up to now is 837.5 secs Computing kpt #: 249 total cpu time spent up to now is 840.0 secs Computing kpt #: 250 total cpu time spent up to now is 842.5 secs Computing kpt #: 251 total cpu time spent up to now is 844.8 secs Computing kpt #: 252 total cpu time spent up to now is 847.5 secs Computing kpt #: 253 total cpu time spent up to now is 849.8 secs Computing kpt #: 254 total cpu time spent up to now is 852.1 secs Computing kpt #: 255 total cpu time spent up to now is 854.6 secs Computing kpt #: 256 total cpu time spent up to now is 857.0 secs Computing kpt #: 257 total cpu time spent up to now is 859.5 secs Computing kpt #: 258 total cpu time spent up to now is 862.0 secs Computing kpt #: 259 total cpu time spent up to now is 864.5 secs Computing kpt #: 260 total cpu time spent up to now is 866.8 secs Computing kpt #: 261 total cpu time spent up to now is 869.2 secs Computing kpt #: 262 total cpu time spent up to now is 871.7 secs Computing kpt #: 263 total cpu time spent up to now is 874.1 secs Computing kpt #: 264 total cpu time spent up to now is 876.6 secs Computing kpt #: 265 total cpu time spent up to now is 879.1 secs Computing kpt #: 266 total cpu time spent up to now is 882.1 secs Computing kpt #: 267 total cpu time spent up to now is 884.9 secs Computing kpt #: 268 total cpu time spent up to now is 887.6 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 892.4 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 897.7 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 902.3 secs Computing kpt #: 272 total cpu time spent up to now is 905.5 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 910.2 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 914.9 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 919.5 secs Computing kpt #: 276 total cpu time spent up to now is 924.0 secs Computing kpt #: 277 total cpu time spent up to now is 928.2 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 932.9 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 937.7 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 943.1 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 948.1 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 953.0 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 958.5 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 963.4 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 968.3 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 973.2 secs Computing kpt #: 287 total cpu time spent up to now is 975.3 secs Computing kpt #: 288 total cpu time spent up to now is 977.4 secs Computing kpt #: 289 total cpu time spent up to now is 980.2 secs Computing kpt #: 290 total cpu time spent up to now is 982.6 secs Computing kpt #: 291 total cpu time spent up to now is 985.1 secs Computing kpt #: 292 total cpu time spent up to now is 987.4 secs Computing kpt #: 293 total cpu time spent up to now is 989.7 secs Computing kpt #: 294 total cpu time spent up to now is 992.2 secs Computing kpt #: 295 total cpu time spent up to now is 994.3 secs Computing kpt #: 296 total cpu time spent up to now is 996.7 secs Computing kpt #: 297 total cpu time spent up to now is 998.8 secs Computing kpt #: 298 total cpu time spent up to now is 1001.1 secs Computing kpt #: 299 total cpu time spent up to now is 1003.4 secs Computing kpt #: 300 total cpu time spent up to now is 1005.5 secs Computing kpt #: 301 total cpu time spent up to now is 1007.7 secs Computing kpt #: 302 total cpu time spent up to now is 1009.9 secs Computing kpt #: 303 total cpu time spent up to now is 1012.4 secs Computing kpt #: 304 total cpu time spent up to now is 1014.9 secs Computing kpt #: 305 total cpu time spent up to now is 1017.2 secs Computing kpt #: 306 total cpu time spent up to now is 1019.7 secs Computing kpt #: 307 total cpu time spent up to now is 1022.0 secs Computing kpt #: 308 total cpu time spent up to now is 1024.1 secs Computing kpt #: 309 total cpu time spent up to now is 1026.7 secs Computing kpt #: 310 total cpu time spent up to now is 1028.9 secs Computing kpt #: 311 total cpu time spent up to now is 1031.6 secs Computing kpt #: 312 total cpu time spent up to now is 1034.2 secs Computing kpt #: 313 total cpu time spent up to now is 1037.0 secs Computing kpt #: 314 total cpu time spent up to now is 1040.6 secs Computing kpt #: 315 total cpu time spent up to now is 1043.9 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1048.8 secs Computing kpt #: 317 total cpu time spent up to now is 1051.9 secs Computing kpt #: 318 total cpu time spent up to now is 1054.9 secs Computing kpt #: 319 total cpu time spent up to now is 1057.6 secs Computing kpt #: 320 total cpu time spent up to now is 1059.7 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1064.7 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1069.6 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1074.3 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1079.2 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1083.8 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1090.6 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1095.4 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1100.0 secs Computing kpt #: 329 total cpu time spent up to now is 1104.9 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1109.7 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1114.4 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1119.1 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1123.8 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1128.5 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1133.4 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1138.1 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1143.0 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1147.8 secs Computing kpt #: 339 total cpu time spent up to now is 1151.5 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1156.3 secs Computing kpt #: 341 total cpu time spent up to now is 1159.9 secs Computing kpt #: 342 total cpu time spent up to now is 1164.6 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1169.2 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1173.9 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1178.4 secs Computing kpt #: 346 total cpu time spent up to now is 1182.0 secs Computing kpt #: 347 total cpu time spent up to now is 1185.2 secs Computing kpt #: 348 total cpu time spent up to now is 1189.4 secs Computing kpt #: 349 total cpu time spent up to now is 1193.5 secs Computing kpt #: 350 total cpu time spent up to now is 1197.2 secs Computing kpt #: 351 total cpu time spent up to now is 1201.6 secs Computing kpt #: 352 total cpu time spent up to now is 1205.8 secs Computing kpt #: 353 total cpu time spent up to now is 1209.9 secs Computing kpt #: 354 total cpu time spent up to now is 1211.9 secs ethr = 2.08E-11, avg # of iterations = 61.4 total cpu time spent up to now is 1212.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5021 PWs) bands (ev): -13.6140 -13.6140 -12.8841 -12.8841 -11.3987 -11.3987 -9.9774 -9.9774 -9.9569 -9.9569 -9.6557 -9.6557 -4.5146 -4.5146 -4.2222 -4.2222 -3.9699 -3.9699 -1.2887 -1.2887 -0.8572 -0.8572 -0.8144 -0.8144 0.0655 0.0655 0.7132 0.7132 1.3997 1.3997 1.4814 1.4814 2.3981 2.3981 2.7210 2.7210 3.1167 3.1167 3.3277 3.3277 3.6404 3.6404 3.7006 3.7006 3.8602 3.8602 3.9278 3.9278 7.2338 7.2338 9.2275 9.2275 10.2318 10.2318 10.4076 10.4076 12.1666 12.1666 k = 0.0091 0.0147-0.0000 ( 5013 PWs) bands (ev): -13.6135 -13.6135 -12.8842 -12.8841 -11.3983 -11.3981 -10.0337 -10.0146 -9.9223 -9.9014 -9.6558 -9.6548 -4.5140 -4.5135 -4.2369 -4.2334 -3.9566 -3.9511 -1.2990 -1.2839 -0.8616 -0.8519 -0.8162 -0.8149 0.0678 0.0722 0.7137 0.7142 1.3952 1.3985 1.4780 1.4799 2.3985 2.3986 2.7190 2.7202 3.1186 3.1186 3.3258 3.3267 3.6319 3.6361 3.7000 3.7004 3.8601 3.8602 3.9302 3.9324 7.2379 7.2379 9.2297 9.2306 10.2323 10.2328 10.4085 10.4089 12.1480 12.1574 k = 0.0182 0.0294-0.0000 ( 5007 PWs) bands (ev): -13.6119 -13.6118 -12.8842 -12.8842 -11.3971 -11.3968 -10.0919 -10.0737 -9.8696 -9.8477 -9.6552 -9.6531 -4.5118 -4.5108 -4.2696 -4.2645 -3.9175 -3.9083 -1.3142 -1.2848 -0.8643 -0.8466 -0.8197 -0.8181 0.0791 0.0877 0.7155 0.7164 1.3853 1.3916 1.4697 1.4734 2.3997 2.3999 2.7142 2.7164 3.1241 3.1241 3.3208 3.3227 3.6120 3.6198 3.6987 3.6993 3.8598 3.8600 3.9389 3.9428 7.2503 7.2503 9.2372 9.2391 10.2343 10.2353 10.4116 10.4123 12.1156 12.1249 k = 0.0273 0.0442-0.0000 ( 5007 PWs) bands (ev): -13.6092 -13.6091 -12.8843 -12.8843 -11.3950 -11.3945 -10.1514 -10.1341 -9.8189 -9.7961 -9.6538 -9.6507 -4.5079 -4.5065 -4.3098 -4.3045 -3.8633 -3.8518 -1.3340 -1.2917 -0.8648 -0.8443 -0.8236 -0.8216 0.0988 0.1115 0.7187 0.7201 1.3698 1.3790 1.4567 1.4621 2.4018 2.4020 2.7069 2.7103 3.1325 3.1326 3.3126 3.3154 3.5835 3.5943 3.6970 3.6976 3.8592 3.8596 3.9517 3.9567 7.2707 7.2707 9.2498 9.2527 10.2377 10.2393 10.4169 10.4180 12.0770 12.0807 k = 0.0363 0.0589-0.0000 ( 5011 PWs) bands (ev): -13.6055 -13.6054 -12.8845 -12.8844 -11.3921 -11.3914 -10.2123 -10.1958 -9.7707 -9.7468 -9.6517 -9.6476 -4.5024 -4.5006 -4.3521 -4.3471 -3.8005 -3.7874 -1.3577 -1.3046 -0.8631 -0.8500 -0.8309 -0.8168 0.1261 0.1428 0.7232 0.7250 1.3489 1.3607 1.4391 1.4460 2.4045 2.4047 2.6977 2.7023 3.1429 3.1434 3.3007 3.3043 3.5497 3.5630 3.6947 3.6953 3.8585 3.8590 3.9663 3.9719 7.2988 7.2988 9.2675 9.2713 10.2426 10.2447 10.4242 10.4256 12.0246 12.0348 k = 0.0454 0.0736-0.0000 ( 5015 PWs) bands (ev): -13.6007 -13.6006 -12.8846 -12.8845 -11.3882 -11.3874 -10.2741 -10.2585 -9.7250 -9.7000 -9.6487 -9.6437 -4.4953 -4.4930 -4.3936 -4.3893 -3.7322 -3.7178 -1.3849 -1.3231 -0.8623 -0.8618 -0.8367 -0.8063 0.1604 0.1806 0.7291 0.7313 1.3226 1.3368 1.4171 1.4252 2.4078 2.4079 2.6871 2.6929 3.1536 3.1549 3.2851 3.2891 3.5139 3.5293 3.6920 3.6925 3.8576 3.8582 3.9812 3.9870 7.3342 7.3343 9.2898 9.2945 10.2489 10.2515 10.4335 10.4353 11.9574 11.9886 k = 0.0545 0.0883-0.0000 ( 5005 PWs) bands (ev): -13.5949 -13.5948 -12.8849 -12.8847 -11.3835 -11.3825 -10.3369 -10.3221 -9.6825 -9.6560 -9.6445 -9.6391 -4.4866 -4.4840 -4.4331 -4.4296 -3.6599 -3.6444 -1.4150 -1.3465 -0.8785 -0.8686 -0.8330 -0.7922 0.2005 0.2240 0.7362 0.7389 1.2909 1.3072 1.3907 1.4001 2.4113 2.4114 2.6758 2.6827 3.1616 3.1648 3.2670 3.2701 3.4790 3.4960 3.6888 3.6892 3.8566 3.8573 3.9954 4.0013 7.3765 7.3766 9.3165 9.3220 10.2566 10.2598 10.4446 10.4468 11.8873 11.9302 k = 0.0636 0.1031-0.0000 ( 5003 PWs) bands (ev): -13.5881 -13.5879 -12.8851 -12.8850 -11.3779 -11.3768 -10.4004 -10.3864 -9.6483 -9.6341 -9.6340 -9.6145 -4.4763 -4.4757 -4.4678 -4.4674 -3.5845 -3.5678 -1.4473 -1.3739 -0.8978 -0.8834 -0.8199 -0.7750 0.2455 0.2721 0.7445 0.7478 1.2540 1.2721 1.3603 1.3707 2.4148 2.4149 2.6641 2.6722 3.1604 3.1673 3.2513 3.2516 3.4474 3.4652 3.6852 3.6855 3.8554 3.8562 4.0085 4.0144 7.4250 7.4253 9.3471 9.3535 10.2656 10.2694 10.4573 10.4599 11.8191 11.8621 k = 0.0727 0.1178-0.0000 ( 4995 PWs) bands (ev): -13.5803 -13.5801 -12.8854 -12.8852 -11.3714 -11.3701 -10.4645 -10.4512 -9.6383 -9.6281 -9.6016 -9.5761 -4.5050 -4.5024 -4.4644 -4.4603 -3.5064 -3.4887 -1.4811 -1.4044 -0.9201 -0.9024 -0.8011 -0.7548 0.2947 0.3241 0.7541 0.7579 1.2119 1.2316 1.3260 1.3375 2.4179 2.4181 2.6527 2.6618 3.1413 3.1517 3.2428 3.2469 3.4204 3.4382 3.6812 3.6814 3.8542 3.8550 4.0204 4.0262 7.4793 7.4797 9.3812 9.3884 10.2760 10.2803 10.4714 10.4743 11.7546 11.7970 k = 0.0818 0.1325-0.0000 ( 5000 PWs) bands (ev): -13.5716 -13.5713 -12.8857 -12.8856 -11.3640 -11.3625 -10.5289 -10.5164 -9.6321 -9.6215 -9.5676 -9.5408 -4.5360 -4.5343 -4.4510 -4.4467 -3.4261 -3.4075 -1.5160 -1.4370 -0.9450 -0.9245 -0.7778 -0.7315 0.3473 0.3792 0.7649 0.7692 1.1647 1.1857 1.2881 1.3008 2.4204 2.4207 2.6417 2.6518 3.1051 3.1160 3.2466 3.2523 3.3982 3.4153 3.6768 3.6769 3.8528 3.8538 4.0311 4.0367 7.5386 7.5392 9.4184 9.4262 10.2875 10.2925 10.4865 10.4899 11.6949 11.7368 k = 0.0908 0.1472-0.0000 ( 5004 PWs) bands (ev): -13.5619 -13.5616 -12.8861 -12.8859 -11.3556 -11.3540 -10.5936 -10.5818 -9.6258 -9.6143 -9.5363 -9.5086 -4.5639 -4.5629 -4.4361 -4.4314 -3.3438 -3.3244 -1.5511 -1.4709 -0.9724 -0.9493 -0.7507 -0.7050 0.4026 0.4367 0.7767 0.7815 1.1124 1.1348 1.2468 1.2607 2.4217 2.4220 2.6317 2.6426 3.0588 3.0689 3.2552 3.2616 3.3805 3.3962 3.6721 3.6722 3.8514 3.8524 4.0407 4.0461 7.6025 7.6032 9.4582 9.4666 10.3003 10.3059 10.5024 10.5062 11.6403 11.6820 k = 0.0999 0.1619-0.0000 ( 5012 PWs) bands (ev): -13.5513 -13.5510 -12.8866 -12.8863 -11.3463 -11.3445 -10.6584 -10.6472 -9.6190 -9.6065 -9.5080 -9.4796 -4.5887 -4.5883 -4.4197 -4.4147 -3.2600 -3.2397 -1.5861 -1.5053 -1.0023 -0.9766 -0.7199 -0.6753 0.4599 0.4960 0.7896 0.7950 1.0552 1.0787 1.2025 1.2178 2.4214 2.4217 2.6230 2.6344 3.0069 3.0160 3.2634 3.2707 3.3669 3.3809 3.6672 3.6673 3.8499 3.8511 4.0494 4.0546 7.6702 7.6712 9.5000 9.5090 10.3143 10.3205 10.5186 10.5229 11.5914 11.6332 k = 0.1090 0.1767-0.0000 ( 5006 PWs) bands (ev): -13.5398 -13.5395 -12.8870 -12.8868 -11.3361 -11.3340 -10.7232 -10.7127 -9.6116 -9.5982 -9.4829 -9.4538 -4.6105 -4.6104 -4.4018 -4.3965 -3.1747 -3.1536 -1.6204 -1.5394 -1.0345 -1.0062 -0.6857 -0.6426 0.5188 0.5566 0.8035 0.8094 0.9932 1.0177 1.1555 1.1722 2.4192 2.4193 2.6159 2.6274 2.9521 2.9603 3.2687 3.2773 3.3579 3.3698 3.6621 3.6623 3.8486 3.8498 4.0573 4.0623 7.7411 7.7425 9.5435 9.5530 10.3293 10.3363 10.5346 10.5394 11.5483 11.5905 k = 0.1181 0.1914-0.0000 ( 5020 PWs) bands (ev): -13.5276 -13.5272 -12.8875 -12.8873 -11.3248 -11.3225 -10.7878 -10.7779 -9.6038 -9.5894 -9.4609 -9.4313 -4.6297 -4.6291 -4.3826 -4.3769 -3.0883 -3.0665 -1.6535 -1.5727 -1.0689 -1.0381 -0.6483 -0.6068 0.5788 0.6179 0.8183 0.8248 0.9268 0.9520 1.1060 1.1243 2.4143 2.4147 2.6104 2.6219 2.8960 2.9034 3.2691 3.2793 3.3542 3.3638 3.6570 3.6572 3.8473 3.8485 4.0644 4.0691 7.8149 7.8166 9.5882 9.5980 10.3454 10.3531 10.5498 10.5551 11.5111 11.5541 k = 0.1272 0.2061-0.0000 ( 5020 PWs) bands (ev): -13.5145 -13.5141 -12.8881 -12.8879 -11.3126 -11.3101 -10.8522 -10.8429 -9.5955 -9.5801 -9.4420 -9.4120 -4.6460 -4.6450 -4.3621 -4.3561 -3.0010 -2.9784 -1.6850 -1.6046 -1.1054 -1.0720 -0.6078 -0.5681 0.6393 0.6790 0.8339 0.8409 0.8566 0.8817 1.0547 1.0744 2.4066 2.4077 2.6067 2.6177 2.8398 2.8466 3.2645 3.2760 3.3552 3.3630 3.6519 3.6522 3.8461 3.8474 4.0707 4.0753 7.8908 7.8929 9.6337 9.6438 10.3626 10.3710 10.5635 10.5694 11.4792 11.5227 k = 0.1363 0.2208-0.0000 ( 5024 PWs) bands (ev): -13.5007 -13.5003 -12.8887 -12.8885 -11.2993 -11.2966 -10.9161 -10.9074 -9.5868 -9.5704 -9.4263 -9.3959 -4.6596 -4.6582 -4.3403 -4.3340 -2.9129 -2.8896 -1.7144 -1.6347 -1.1437 -1.1078 -0.5644 -0.5265 0.6997 0.7327 0.7892 0.8066 0.8507 0.8583 1.0019 1.0230 2.3960 2.3980 2.6045 2.6145 2.7845 2.7906 3.2564 3.2685 3.3594 3.3661 3.6470 3.6473 3.8452 3.8465 4.0763 4.0807 7.9685 7.9710 9.6797 9.6899 10.3809 10.3900 10.5748 10.5814 11.4494 11.4758 k = 0.1453 0.2355-0.0000 ( 5026 PWs) bands (ev): -13.4863 -13.4858 -12.8894 -12.8891 -11.2849 -11.2820 -10.9796 -10.9713 -9.5777 -9.5603 -9.4136 -9.3830 -4.6707 -4.6690 -4.3172 -4.3107 -2.8243 -2.8004 -1.7414 -1.6626 -1.1837 -1.1454 -0.5183 -0.4821 0.6932 0.7264 0.7601 0.8096 0.8688 0.8762 0.9489 0.9707 2.3825 2.3856 2.6033 2.6119 2.7312 2.7365 3.2463 3.2584 3.3650 3.3713 3.6423 3.6427 3.8445 3.8458 4.0811 4.0854 8.0473 8.0504 9.7259 9.7361 10.4002 10.4100 10.5827 10.5900 11.4133 11.4224 k = 0.1544 0.2503-0.0000 ( 5016 PWs) bands (ev): -13.4712 -13.4707 -12.8901 -12.8898 -11.2695 -11.2664 -11.0424 -11.0347 -9.5683 -9.5499 -9.4039 -9.3731 -4.6796 -4.6776 -4.2931 -4.2862 -2.7354 -2.7108 -1.7657 -1.6878 -1.2252 -1.1845 -0.4696 -0.4352 0.6118 0.6437 0.8122 0.8604 0.8901 0.8953 0.9006 0.9220 2.3664 2.3705 2.6019 2.6080 2.6818 2.6853 3.2354 3.2473 3.3709 3.3771 3.6379 3.6383 3.8443 3.8455 4.0849 4.0891 8.1270 8.1306 9.7720 9.7821 10.4207 10.4311 10.5861 10.5942 11.3686 11.3704 k = 0.1635 0.2650-0.0000 ( 5010 PWs) bands (ev): -13.4555 -13.4550 -12.8908 -12.8906 -11.2530 -11.2496 -11.1045 -11.0973 -9.5586 -9.5393 -9.3971 -9.3662 -4.6865 -4.6844 -4.2678 -4.2608 -2.6463 -2.6212 -1.7870 -1.7101 -1.2680 -1.2250 -0.4184 -0.3857 0.5249 0.5565 0.8157 0.8550 0.8951 0.8958 0.9201 0.9461 2.3477 2.3527 2.5958 2.5965 2.6412 2.6436 3.2244 3.2358 3.3765 3.3829 3.6339 3.6343 3.8444 3.8457 4.0876 4.0917 8.2071 8.2113 9.8180 9.8278 10.4423 10.4532 10.5838 10.5928 11.3212 11.3228 k = 0.1726 0.2797-0.0000 ( 5002 PWs) bands (ev): -13.4393 -13.4388 -12.8916 -12.8914 -11.2355 -11.2318 -11.1657 -11.1590 -9.5488 -9.5285 -9.3929 -9.3620 -4.6917 -4.6895 -4.2415 -4.2343 -2.5574 -2.5316 -1.8049 -1.7292 -1.3119 -1.2665 -0.3649 -0.3339 0.4342 0.4657 0.7669 0.8018 0.9150 0.9228 0.9635 1.0040 2.3262 2.3322 2.5640 2.5722 2.6191 2.6281 3.2137 3.2245 3.3815 3.3881 3.6304 3.6308 3.8452 3.8463 4.0891 4.0932 8.2872 8.2920 9.8637 9.8732 10.4652 10.4763 10.5747 10.5843 11.2760 11.2801 k = 0.1817 0.2944-0.0000 ( 5012 PWs) bands (ev): -13.4227 -13.4222 -12.8925 -12.8923 -11.2276 -11.2204 -11.2153 -11.2122 -9.5388 -9.5177 -9.3913 -9.3606 -4.6955 -4.6932 -4.2144 -4.2070 -2.4688 -2.4424 -1.8191 -1.7448 -1.3565 -1.3089 -0.3094 -0.2801 0.3401 0.3715 0.7112 0.7463 0.9334 0.9438 1.0195 1.0642 2.3020 2.3089 2.5242 2.5333 2.6148 2.6240 3.2036 3.2138 3.3856 3.3927 3.6275 3.6278 3.8465 3.8476 4.0891 4.0932 8.3670 8.3725 9.9091 9.9182 10.4893 10.4995 10.5583 10.5678 11.2360 11.2424 k = 0.1908 0.3092-0.0000 ( 5010 PWs) bands (ev): -13.4057 -13.4051 -12.8934 -12.8932 -11.2860 -11.2799 -11.1964 -11.1924 -9.5289 -9.5068 -9.3922 -9.3616 -4.6982 -4.6960 -4.1864 -4.1790 -2.3808 -2.3538 -1.8294 -1.7567 -1.4017 -1.3519 -0.2521 -0.2244 0.2432 0.2742 0.6542 0.6904 0.9514 0.9632 1.0778 1.1243 2.2749 2.2824 2.4856 2.4948 2.6137 2.6222 3.1944 3.2040 3.3890 3.3964 3.6253 3.6255 3.8486 3.8496 4.0876 4.0917 8.4462 8.4523 9.9542 9.9628 10.5142 10.5144 10.5426 10.5428 11.2021 11.2108 k = 0.1998 0.3239-0.0000 ( 5008 PWs) bands (ev): -13.3883 -13.3878 -12.8943 -12.8941 -11.3443 -11.3387 -11.1753 -11.1710 -9.5189 -9.4960 -9.3952 -9.3649 -4.7002 -4.6979 -4.1578 -4.1502 -2.2937 -2.2659 -1.8356 -1.7646 -1.4471 -1.3952 -0.1932 -0.1672 0.1438 0.1742 0.5969 0.6343 0.9692 0.9820 1.1362 1.1839 2.2447 2.2527 2.4506 2.4597 2.6127 2.6207 3.1862 3.1951 3.3914 3.3993 3.6239 3.6240 3.8516 3.8524 4.0843 4.0885 8.5244 8.5314 9.9991 10.0071 10.4889 10.5060 10.5433 10.5597 11.1746 11.1855 k = 0.2089 0.3386-0.0000 ( 5018 PWs) bands (ev): -13.3707 -13.3701 -12.8953 -12.8951 -11.4016 -11.3963 -11.1530 -11.1484 -9.5092 -9.4854 -9.4004 -9.3704 -4.7016 -4.6994 -4.1285 -4.1210 -2.2078 -2.1790 -1.8373 -1.7683 -1.4923 -1.4384 -0.1331 -0.1096 0.0429 0.0719 0.5397 0.5785 0.9868 1.0003 1.1941 1.2427 2.2115 2.2196 2.4199 2.4289 2.6112 2.6188 3.1792 3.1873 3.3929 3.4013 3.6232 3.6233 3.8554 3.8562 4.0792 4.0835 8.6016 8.6093 10.0439 10.0512 10.4460 10.4629 10.5713 10.5871 11.1533 11.1663 k = 0.2180 0.3533-0.0000 ( 5018 PWs) bands (ev): -13.3529 -13.3523 -12.8963 -12.8961 -11.4577 -11.4528 -11.1294 -11.1245 -9.4997 -9.4751 -9.4074 -9.3778 -4.7028 -4.7006 -4.0988 -4.0913 -2.1236 -2.0935 -1.8340 -1.7676 -1.5371 -1.4813 -0.0766 -0.0739 -0.0344 -0.0307 0.4828 0.5229 1.0040 1.0183 1.2513 1.3006 2.1755 2.1836 2.3936 2.4023 2.6088 2.6160 3.1734 3.1808 3.3935 3.4024 3.6234 3.6236 3.8603 3.8610 4.0722 4.0766 8.6774 8.6859 10.0886 10.0952 10.3946 10.4116 10.6014 10.6169 11.1375 11.1524 k = 0.2271 0.3680-0.0000 ( 5014 PWs) bands (ev): -13.3350 -13.3344 -12.8973 -12.8972 -11.5125 -11.5080 -11.1045 -11.0993 -9.4905 -9.4652 -9.4161 -9.3870 -4.7039 -4.7017 -4.0688 -4.0613 -2.0422 -2.0098 -1.8249 -1.7621 -1.5809 -1.5233 -0.1718 -0.1405 -0.0089 0.0154 0.4264 0.4677 1.0210 1.0360 1.3075 1.3573 2.1373 2.1452 2.3714 2.3798 2.6052 2.6122 3.1690 3.1755 3.3933 3.4026 3.6244 3.6249 3.8664 3.8669 4.0632 4.0677 8.7516 8.7609 10.1332 10.1390 10.3368 10.3538 10.6331 10.6485 11.1262 11.1426 k = 0.2362 0.3828-0.0000 ( 5010 PWs) bands (ev): -13.3170 -13.3164 -12.8984 -12.8982 -11.5661 -11.5618 -11.0784 -11.0729 -9.4818 -9.4557 -9.4262 -9.3977 -4.7053 -4.7031 -4.0386 -4.0312 -1.9654 -1.9288 -1.8084 -1.7510 -1.6234 -1.5643 -0.2783 -0.2480 0.0523 0.0751 0.3707 0.4131 1.0379 1.0534 1.3627 1.4130 2.0974 2.1051 2.3528 2.3609 2.6006 2.6074 3.1658 3.1716 3.3921 3.4020 3.6266 3.6273 3.8736 3.8740 4.0520 4.0567 8.8242 8.8343 10.1778 10.1825 10.2742 10.2907 10.6664 10.6816 11.1183 11.1357 k = 0.2453 0.3975-0.0000 ( 5004 PWs) bands (ev): -13.2990 -13.2984 -12.8995 -12.8994 -11.6182 -11.6143 -11.0510 -11.0451 -9.4737 -9.4469 -9.4377 -9.4098 -4.7069 -4.7048 -4.0083 -4.0010 -1.8977 -1.8525 -1.7800 -1.7324 -1.6640 -1.6036 -0.3865 -0.3571 0.1129 0.1348 0.3158 0.3589 1.0547 1.0707 1.4169 1.4675 2.0564 2.0638 2.3375 2.3453 2.5947 2.6014 3.1640 3.1689 3.3901 3.4005 3.6297 3.6308 3.8822 3.8824 4.0388 4.0436 8.8949 8.9059 10.2030 10.2211 10.2248 10.2307 10.7014 10.7162 11.1127 11.1302 k = 0.2543 0.4122-0.0000 ( 5012 PWs) bands (ev): -13.2811 -13.2804 -12.9006 -12.9005 -11.6690 -11.6653 -11.0223 -11.0161 -9.4662 -9.4503 -9.4388 -9.4231 -4.7091 -4.7070 -3.9781 -3.9710 -1.8459 -1.7870 -1.7338 -1.7020 -1.7007 -1.6409 -0.4957 -0.4671 0.1705 0.1935 0.2635 0.3054 1.0718 1.0882 1.4698 1.5207 2.0147 2.0218 2.3249 2.3326 2.5877 2.5943 3.1635 3.1676 3.3873 3.3982 3.6341 3.6354 3.8920 3.8922 4.0235 4.0285 8.9638 8.9756 10.1360 10.1534 10.2666 10.2717 10.7379 10.7523 11.1076 11.1238 k = 0.2634 0.4269-0.0000 ( 5008 PWs) bands (ev): -13.2634 -13.2627 -12.9017 -12.9016 -11.7183 -11.7148 -10.9923 -10.9857 -9.4639 -9.4596 -9.4374 -9.4316 -4.7118 -4.7098 -3.9480 -3.9412 -1.8097 -1.7398 -1.7357 -1.6763 -1.6715 -1.6479 -0.6056 -0.5778 0.1935 0.2444 0.2446 0.2581 1.0895 1.1062 1.5215 1.5726 1.9727 1.9796 2.3150 2.3226 2.5795 2.5860 3.1642 3.1675 3.3836 3.3950 3.6396 3.6413 3.9032 3.9033 4.0062 4.0113 9.0306 9.0433 10.0646 10.0813 10.3105 10.3148 10.7761 10.7899 11.0993 11.1108 k = 0.2725 0.4417-0.0000 ( 5004 PWs) bands (ev): -13.2458 -13.2451 -12.9028 -12.9028 -11.7660 -11.7628 -10.9610 -10.9540 -9.4783 -9.4539 -9.4525 -9.4254 -4.7152 -4.7131 -3.9184 -3.9117 -1.7931 -1.7518 -1.7096 -1.7036 -1.6020 -1.5815 -0.7158 -0.6888 0.1470 0.1985 0.2923 0.3055 1.1085 1.1253 1.5720 1.6232 1.9307 1.9373 2.3075 2.3150 2.5703 2.5767 3.1660 3.1686 3.3792 3.3910 3.6464 3.6484 3.9158 3.9159 3.9869 3.9921 9.0955 9.1089 9.9917 10.0078 10.3537 10.3575 10.8159 10.8288 11.0741 11.0787 k = 0.2816 0.4564-0.0000 ( 5004 PWs) bands (ev): -13.2286 -13.2279 -12.9039 -12.9039 -11.8122 -11.8092 -10.9284 -10.9210 -9.4932 -9.4682 -9.4493 -9.4203 -4.7193 -4.7172 -3.8892 -3.8828 -1.8116 -1.7377 -1.7295 -1.6718 -1.5308 -1.5110 -0.8261 -0.8000 0.0947 0.1463 0.3427 0.3556 1.1292 1.1460 1.6210 1.6723 1.8890 1.8953 2.3022 2.3097 2.5601 2.5665 3.1689 3.1708 3.3739 3.3862 3.6544 3.6567 3.9297 3.9298 3.9657 3.9711 9.1582 9.1723 9.9181 9.9335 10.3959 10.3994 10.8573 10.8686 11.0125 11.0178 k = 0.2907 0.4711-0.0000 ( 5008 PWs) bands (ev): -13.2117 -13.2109 -12.9050 -12.9050 -11.8568 -11.8540 -10.8945 -10.8868 -9.5086 -9.4845 -9.4459 -9.4164 -4.7241 -4.7220 -3.8605 -3.8544 -1.8362 -1.7633 -1.6956 -1.6375 -1.4600 -1.4404 -0.9360 -0.9109 0.0419 0.0942 0.3888 0.4007 1.1525 1.1692 1.6685 1.7197 1.8479 1.8539 2.2991 2.3066 2.5491 2.5554 3.1727 3.1740 3.3679 3.3806 3.6639 3.6664 3.9421 3.9449 3.9455 3.9485 9.2188 9.2336 9.8443 9.8591 10.4369 10.4401 10.9002 10.9031 10.9298 10.9459 k = 0.2998 0.4858-0.0000 ( 5004 PWs) bands (ev): -13.1952 -13.1944 -12.9061 -12.9061 -11.8997 -11.8972 -10.8594 -10.8513 -9.5244 -9.5011 -9.4438 -9.4140 -4.7295 -4.7274 -3.8324 -3.8266 -1.8583 -1.7852 -1.6577 -1.6007 -1.3907 -1.3712 -1.0453 -1.0213 -0.0109 0.0424 0.4290 0.4397 1.1790 1.1954 1.7141 1.7651 1.8078 1.8136 2.2981 2.3057 2.5374 2.5436 3.1775 3.1782 3.3611 3.3742 3.6747 3.6775 3.9181 3.9239 3.9613 3.9616 9.2772 9.2927 9.7708 9.7849 10.4762 10.4794 10.8426 10.8478 10.9446 10.9595 k = 0.3088 0.5005-0.0000 ( 5008 PWs) bands (ev): -13.1791 -13.1783 -12.9072 -12.9072 -11.9409 -11.9386 -10.8231 -10.8145 -9.5403 -9.5178 -9.4431 -9.4130 -4.7355 -4.7334 -3.8051 -3.7995 -1.8768 -1.8032 -1.6166 -1.5611 -1.3237 -1.3039 -1.1533 -1.1309 -0.0636 -0.0094 0.4622 0.4716 1.2095 1.2254 1.7516 1.7709 1.7751 1.8119 2.2990 2.3067 2.5251 2.5312 3.1829 3.1831 3.3535 3.3670 3.6870 3.6900 3.8921 3.8980 3.9787 3.9792 9.3334 9.3495 9.6980 9.7113 10.5134 10.5167 10.7562 10.7639 10.9902 11.0027 k = 0.3179 0.5153-0.0000 ( 5004 PWs) bands (ev): -13.1636 -13.1628 -12.9083 -12.9082 -11.9805 -11.9783 -10.7856 -10.7765 -9.5562 -9.5347 -9.4440 -9.4137 -4.7421 -4.7400 -3.7783 -3.7731 -1.8912 -1.8171 -1.5727 -1.5187 -1.2742 -1.2445 -1.2400 -1.2383 -0.1163 -0.0611 0.4875 0.4956 1.2443 1.2597 1.7259 1.7326 1.8048 1.8537 2.3019 2.3097 2.5124 2.5184 3.1888 3.1891 3.3452 3.3591 3.7008 3.7039 3.8649 3.8709 3.9971 3.9978 9.3873 9.4039 9.6262 9.6388 10.5476 10.5514 10.6730 10.6812 11.0369 11.0481 k = 0.3270 0.5300-0.0000 ( 5004 PWs) bands (ev): -13.1486 -13.1478 -12.9092 -12.9091 -12.0183 -12.0163 -10.7469 -10.7373 -9.5720 -9.5515 -9.4466 -9.4162 -4.7492 -4.7471 -3.7522 -3.7473 -1.9016 -1.8271 -1.5269 -1.4736 -1.3677 -1.3459 -1.1926 -1.1765 -0.1691 -0.1128 0.5046 0.5115 1.2833 1.2981 1.6889 1.6945 1.8451 1.8942 2.3066 2.3145 2.4994 2.5054 3.1951 3.1958 3.3362 3.3504 3.7161 3.7193 3.8365 3.8426 4.0162 4.0172 9.4389 9.4559 9.5557 9.5675 10.5669 10.5740 10.6054 10.6106 11.0842 11.0945 k = 0.3361 0.5447-0.0000 ( 5000 PWs) bands (ev): -13.1342 -13.1334 -12.9102 -12.9100 -12.0543 -12.0525 -10.7071 -10.6971 -9.5877 -9.5681 -9.4511 -9.4205 -4.7566 -4.7545 -3.7266 -3.7220 -1.9083 -1.8338 -1.4944 -1.4536 -1.4501 -1.4258 -1.1328 -1.1167 -0.2219 -0.1648 0.5135 0.5193 1.3262 1.3404 1.6527 1.6577 1.8842 1.9329 2.3130 2.3211 2.4863 2.4922 3.2019 3.2030 3.3265 3.3409 3.7329 3.7361 3.8073 3.8135 4.0358 4.0371 9.4837 9.4912 9.4976 9.5056 10.5066 10.5154 10.6184 10.6219 11.1312 11.1415 k = 0.3452 0.5594-0.0000 ( 5016 PWs) bands (ev): -13.1205 -13.1197 -12.9110 -12.9108 -12.0885 -12.0868 -10.6663 -10.6557 -9.6030 -9.5844 -9.4574 -9.4268 -4.7644 -4.7623 -3.7013 -3.6970 -1.9124 -1.8389 -1.5756 -1.5493 -1.4200 -1.3760 -1.0752 -1.0596 -0.2750 -0.2169 0.5144 0.5194 1.3722 1.3859 1.6180 1.6222 1.9214 1.9696 2.3210 2.3294 2.4731 2.4790 3.2092 3.2105 3.3160 3.3305 3.7512 3.7543 3.7775 3.7839 4.0558 4.0574 9.4195 9.4300 9.5351 9.5523 10.4336 10.4416 10.6455 10.6495 11.1762 11.1886 k = 0.3452 0.5594-0.0000 ( 5016 PWs) bands (ev): -13.1205 -13.1197 -12.9110 -12.9108 -12.0885 -12.0868 -10.6663 -10.6557 -9.6030 -9.5844 -9.4574 -9.4268 -4.7644 -4.7623 -3.7013 -3.6970 -1.9124 -1.8389 -1.5756 -1.5493 -1.4200 -1.3760 -1.0752 -1.0596 -0.2750 -0.2169 0.5144 0.5194 1.3722 1.3859 1.6180 1.6222 1.9214 1.9696 2.3210 2.3294 2.4731 2.4790 3.2092 3.2105 3.3160 3.3305 3.7512 3.7543 3.7775 3.7839 4.0558 4.0574 9.4195 9.4300 9.5351 9.5523 10.4336 10.4416 10.6455 10.6495 11.1762 11.1886 k = 0.3279 0.5594-0.0000 ( 5007 PWs) bands (ev): -13.1279 -13.1271 -12.9113 -12.9111 -12.0692 -12.0674 -10.6884 -10.6780 -9.5949 -9.5758 -9.4537 -9.4231 -4.7599 -4.7578 -3.7160 -3.7116 -1.9108 -1.8367 -1.5364 -1.5090 -1.4371 -1.3964 -1.1011 -1.0846 -0.2457 -0.1881 0.5146 0.5200 1.3464 1.3604 1.6355 1.6399 1.9024 1.9505 2.3181 2.3265 2.4803 2.4861 3.2056 3.2067 3.3212 3.3356 3.7391 3.7420 3.7957 3.8017 4.0452 4.0467 9.4481 9.4579 9.5166 9.5327 10.4705 10.4802 10.6317 10.6390 11.1515 11.1621 k = 0.3107 0.5594-0.0000 ( 5003 PWs) bands (ev): -13.1358 -13.1350 -12.9130 -12.9129 -12.0463 -12.0445 -10.7112 -10.7012 -9.5866 -9.5670 -9.4504 -9.4198 -4.7546 -4.7525 -3.7335 -3.7290 -1.9096 -1.8356 -1.5289 -1.5017 -1.4241 -1.3973 -1.1163 -1.0980 -0.2138 -0.1566 0.5124 0.5183 1.3186 1.3328 1.6512 1.6552 1.8849 1.9319 2.3183 2.3271 2.4879 2.4937 3.2025 3.2034 3.3250 3.3390 3.7262 3.7293 3.8145 3.8201 4.0350 4.0363 9.4538 9.4583 9.5233 9.5318 10.5017 10.5186 10.6204 10.6383 11.1252 11.1350 k = 0.2934 0.5594-0.0000 ( 5007 PWs) bands (ev): -13.1441 -13.1433 -12.9160 -12.9158 -12.0203 -12.0183 -10.7349 -10.7251 -9.5781 -9.5580 -9.4474 -9.4169 -4.7484 -4.7463 -3.7538 -3.7492 -1.9090 -1.8358 -1.5465 -1.5176 -1.4015 -1.3840 -1.1155 -1.0952 -0.1797 -0.1230 0.5080 0.5146 1.2888 1.3032 1.6625 1.6655 1.8721 1.9160 2.3214 2.3309 2.4960 2.5017 3.1997 3.2004 3.3267 3.3403 3.7146 3.7180 3.8315 3.8370 4.0260 4.0271 9.4346 9.4416 9.5465 9.5513 10.5209 10.5506 10.6190 10.6519 11.0998 11.1095 k = 0.2761 0.5594-0.0000 ( 5003 PWs) bands (ev): -13.1526 -13.1519 -12.9200 -12.9199 -11.9915 -11.9894 -10.7594 -10.7499 -9.5694 -9.5488 -9.4447 -9.4143 -4.7414 -4.7393 -3.7766 -3.7720 -1.9093 -1.8375 -1.5707 -1.5418 -1.3897 -1.3732 -1.0960 -1.0744 -0.1438 -0.0876 0.5020 0.5093 1.2572 1.2717 1.6638 1.6696 1.8678 1.9060 2.3270 2.3373 2.5043 2.5100 3.1972 3.1976 3.3260 3.3388 3.7048 3.7087 3.8455 3.8507 4.0194 4.0202 9.4109 9.4196 9.5705 9.5751 10.5278 10.5626 10.6402 10.6799 11.0764 11.0865 k = 0.2589 0.5594-0.0000 ( 5012 PWs) bands (ev): -13.1612 -13.1605 -12.9249 -12.9247 -11.9602 -11.9580 -10.7848 -10.7756 -9.5606 -9.5396 -9.4423 -9.4121 -4.7333 -4.7313 -3.8016 -3.7971 -1.9106 -1.8412 -1.5964 -1.5689 -1.3881 -1.3694 -1.0607 -1.0389 -0.1063 -0.0506 0.4947 0.5027 1.2239 1.2385 1.6528 1.6648 1.8742 1.9049 2.3348 2.3459 2.5128 2.5184 3.1946 3.1951 3.3225 3.3344 3.6974 3.7017 3.8549 3.8598 4.0167 4.0173 9.3878 9.3970 9.5924 9.5970 10.5279 10.5602 10.6779 10.7166 11.0559 11.0664 k = 0.2416 0.5594-0.0000 ( 5013 PWs) bands (ev): -13.1697 -13.1690 -12.9303 -12.9302 -11.9269 -11.9246 -10.8111 -10.8022 -9.5518 -9.5304 -9.4402 -9.4102 -4.7243 -4.7222 -3.8287 -3.8242 -1.9130 -1.8467 -1.6223 -1.5970 -1.3909 -1.3695 -1.0157 -0.9945 -0.0677 -0.0124 0.4865 0.4954 1.1890 1.2036 1.6313 1.6497 1.8903 1.9136 2.3444 2.3562 2.5214 2.5268 3.1915 3.1925 3.3163 3.3271 3.6925 3.6971 3.8587 3.8630 4.0189 4.0195 9.3662 9.3757 9.6111 9.6154 10.5259 10.5551 10.7196 10.7567 11.0389 11.0498 k = 0.2244 0.5594-0.0000 ( 5017 PWs) bands (ev): -13.1781 -13.1774 -12.9362 -12.9360 -11.8919 -11.8895 -10.8382 -10.8296 -9.5430 -9.5212 -9.4385 -9.4086 -4.7142 -4.7121 -3.8575 -3.8532 -1.9167 -1.8542 -1.6484 -1.6255 -1.3935 -1.3701 -0.9661 -0.9458 -0.0280 0.0268 0.4779 0.4878 1.1527 1.1675 1.6025 1.6258 1.9133 1.9305 2.3553 2.3678 2.5300 2.5353 3.1875 3.1893 3.3078 3.3173 3.6899 3.6948 3.8568 3.8604 4.0261 4.0271 9.3468 9.3562 9.6262 9.6303 10.5242 10.5507 10.7607 10.7965 11.0266 11.0376 k = 0.2071 0.5594-0.0000 ( 5015 PWs) bands (ev): -13.1862 -13.1856 -12.9422 -12.9420 -11.8556 -11.8531 -10.8662 -10.8579 -9.5343 -9.5122 -9.4370 -9.4074 -4.7030 -4.7010 -3.8876 -3.8835 -1.9213 -1.8631 -1.6745 -1.6540 -1.3933 -1.3691 -0.9150 -0.8959 0.0124 0.0666 0.4694 0.4803 1.1154 1.1302 1.5689 1.5955 1.9405 1.9533 2.3672 2.3802 2.5386 2.5436 3.1821 3.1849 3.2979 3.3059 3.6894 3.6943 3.8504 3.8533 4.0373 4.0386 9.3296 9.3388 9.6379 9.6415 10.5237 10.5480 10.7989 10.8334 11.0205 11.0308 k = 0.1898 0.5594-0.0000 ( 5013 PWs) bands (ev): -13.1940 -13.1934 -12.9482 -12.9481 -11.8183 -11.8156 -10.8949 -10.8869 -9.5258 -9.5033 -9.4359 -9.4066 -4.6908 -4.6888 -3.9188 -3.9149 -1.9267 -1.8732 -1.7003 -1.6819 -1.3898 -1.3657 -0.8645 -0.8468 0.0532 0.1068 0.4613 0.4735 1.0773 1.0922 1.5325 1.5611 1.9703 1.9798 2.3795 2.3930 2.5470 2.5518 3.1745 3.1785 3.2878 3.2942 3.6901 3.6949 3.8412 3.8435 4.0509 4.0525 9.3148 9.3236 9.6461 9.6494 10.5248 10.5471 10.8318 10.8643 11.0227 11.0313 k = 0.1726 0.5594-0.0000 ( 5011 PWs) bands (ev): -13.2013 -13.2008 -12.9541 -12.9540 -11.7803 -11.7775 -10.9243 -10.9166 -9.5175 -9.4947 -9.4351 -9.4061 -4.6775 -4.6757 -3.9506 -3.9470 -1.9326 -1.8839 -1.7254 -1.7088 -1.3832 -1.3599 -0.8158 -0.7995 0.0942 0.1470 0.4542 0.4678 1.0387 1.0536 1.4945 1.5241 2.0013 2.0084 2.3921 2.4058 2.5552 2.5598 3.1640 3.1692 3.2787 3.2834 3.6915 3.6960 3.8307 3.8326 4.0659 4.0676 9.3023 9.3107 9.6514 9.6543 10.5274 10.5477 10.8573 10.8863 11.0351 11.0406 k = 0.1553 0.5594-0.0000 ( 5008 PWs) bands (ev): -13.2082 -13.2077 -12.9598 -12.9596 -11.7420 -11.7391 -10.9542 -10.9468 -9.5094 -9.4864 -9.4346 -9.4060 -4.6634 -4.6616 -3.9826 -3.9794 -1.9386 -1.8947 -1.7494 -1.7344 -1.3740 -1.3522 -0.7698 -0.7551 0.1349 0.1870 0.4484 0.4635 1.0001 1.0149 1.4560 1.4857 2.0329 2.0380 2.4044 2.4182 2.5633 2.5676 3.1504 3.1567 3.2715 3.2747 3.6927 3.6967 3.8204 3.8218 4.0810 4.0828 9.2920 9.2998 9.6540 9.6566 10.5314 10.5497 10.8749 10.8994 11.0568 11.0597 k = 0.1381 0.5594-0.0000 ( 5006 PWs) bands (ev): -13.2145 -13.2140 -12.9651 -12.9650 -11.7037 -11.7007 -10.9844 -10.9774 -9.5017 -9.4785 -9.4344 -9.4063 -4.6485 -4.6467 -4.0145 -4.0115 -1.9444 -1.9053 -1.7719 -1.7584 -1.3631 -1.3431 -0.7272 -0.7141 0.1751 0.2262 0.4442 0.4611 0.9617 0.9765 1.4177 1.4470 2.0641 2.0677 2.4163 2.4300 2.5710 2.5750 3.1339 3.1409 3.2666 3.2686 3.6931 3.6964 3.8113 3.8123 4.0957 4.0975 9.2837 9.2910 9.6545 9.6568 10.5363 10.5527 10.8859 10.9062 11.0830 11.0874 k = 0.1208 0.5594-0.0000 ( 5011 PWs) bands (ev): -13.2202 -13.2197 -12.9699 -12.9698 -11.6659 -11.6629 -11.0148 -11.0082 -9.4943 -9.4712 -9.4345 -9.4070 -4.6330 -4.6314 -4.0456 -4.0430 -1.9498 -1.9153 -1.7924 -1.7802 -1.3513 -1.3334 -0.6886 -0.6772 0.2143 0.2642 0.4417 0.4605 0.9243 0.9389 1.3807 1.4089 2.0942 2.0966 2.4275 2.4407 2.5783 2.5820 3.1156 3.1229 3.2636 3.2648 3.6920 3.6945 3.8040 3.8048 4.1095 4.1111 9.2774 9.2839 9.6534 9.6554 10.5418 10.5563 10.8929 10.9097 11.1120 11.1183 k = 0.1036 0.5594-0.0000 ( 5015 PWs) bands (ev): -13.2252 -13.2248 -12.9743 -12.9742 -11.6291 -11.6260 -11.0448 -11.0387 -9.4873 -9.4644 -9.4347 -9.4081 -4.6173 -4.6158 -4.0754 -4.0731 -1.9544 -1.9245 -1.8106 -1.7999 -1.3393 -1.3236 -0.6544 -0.6448 0.2520 0.3006 0.4407 0.4618 0.8884 0.9026 1.3457 1.3721 2.1226 2.1241 2.4377 2.4501 2.5852 2.5885 3.0965 3.1037 3.2622 3.2629 3.6893 3.6911 3.7988 3.7997 4.1220 4.1235 9.2726 9.2784 9.6513 9.6530 10.5476 10.5600 10.8978 10.9117 11.1416 11.1489 k = 0.0863 0.5594-0.0000 ( 5014 PWs) bands (ev): -13.2295 -13.2292 -12.9780 -12.9779 -11.5938 -11.5907 -11.0741 -11.0685 -9.4808 -9.4586 -9.4349 -9.4096 -4.6018 -4.6005 -4.1031 -4.1012 -1.9581 -1.9329 -1.8264 -1.8170 -1.3277 -1.3145 -0.6250 -0.6171 0.2877 0.3349 0.4409 0.4644 0.8549 0.8684 1.3137 1.3377 2.1485 2.1493 2.4467 2.4580 2.5915 2.5944 3.0779 3.0846 3.2618 3.2621 3.6853 3.6864 3.7957 3.7968 4.1330 4.1343 9.2693 9.2743 9.6485 9.6499 10.5533 10.5637 10.9018 10.9131 11.1693 11.1766 k = 0.0690 0.5594-0.0000 ( 5018 PWs) bands (ev): -13.2331 -13.2328 -12.9812 -12.9811 -11.5610 -11.5581 -11.1016 -11.0967 -9.4747 -9.4542 -9.4345 -9.4115 -4.5872 -4.5860 -4.1280 -4.1264 -1.9608 -1.9403 -1.8393 -1.8315 -1.3171 -1.3064 -0.6006 -0.5944 0.3210 0.3665 0.4412 0.4676 0.8249 0.8373 1.2859 1.3066 2.1710 2.1716 2.4545 2.4643 2.5971 2.5995 3.0608 3.0668 3.2619 3.2621 3.6806 3.6813 3.7942 3.7953 4.1422 4.1433 9.2671 9.2712 9.6455 9.6467 10.5586 10.5669 10.9052 10.9142 11.1926 11.1987 k = 0.0518 0.5594-0.0000 ( 5015 PWs) bands (ev): -13.2359 -13.2357 -12.9836 -12.9836 -11.5319 -11.5293 -11.1263 -11.1222 -9.4692 -9.4519 -9.4331 -9.4139 -4.5742 -4.5733 -4.1491 -4.1479 -1.9623 -1.9467 -1.8494 -1.8432 -1.3081 -1.3000 -0.5815 -0.5769 0.3512 0.3950 0.4405 0.4699 0.7997 0.8102 1.2633 1.2799 2.1895 2.1901 2.4610 2.4688 2.6018 2.6037 3.0465 3.0513 3.2624 3.2625 3.6759 3.6764 3.7939 3.7949 4.1496 4.1504 9.2658 9.2690 9.6428 9.6437 10.5632 10.5695 10.9082 10.9150 11.2087 11.2126 k = 0.0345 0.5594-0.0000 ( 5019 PWs) bands (ev): -13.2379 -13.2378 -12.9854 -12.9854 -11.5083 -11.5063 -11.1463 -11.1433 -9.4642 -9.4518 -9.4304 -9.4167 -4.5638 -4.5632 -4.1652 -4.1644 -1.9626 -1.9521 -1.8563 -1.8520 -1.3009 -1.2955 -0.5676 -0.5646 0.3778 0.4198 0.4372 0.4698 0.7808 0.7886 1.2472 1.2588 2.2033 2.2039 2.4662 2.4716 2.6054 2.6067 3.0358 3.0392 3.2629 3.2630 3.6721 3.6723 3.7941 3.7948 4.1550 4.1555 9.2652 9.2674 9.6407 9.6413 10.5670 10.5712 10.9109 10.9154 11.2171 11.2192 k = 0.0173 0.5594-0.0000 ( 5023 PWs) bands (ev): -13.2391 -13.2390 -12.9865 -12.9865 -11.4924 -11.4913 -11.1594 -11.1578 -9.4599 -9.4534 -9.4269 -9.4198 -4.5570 -4.5566 -4.1754 -4.1750 -1.9617 -1.9564 -1.8600 -1.8578 -1.2960 -1.2933 -0.5590 -0.5575 0.4001 0.4297 0.4404 0.4654 0.7697 0.7739 1.2383 1.2443 2.2120 2.2124 2.4698 2.4727 2.6078 2.6085 3.0294 3.0312 3.2633 3.2633 3.6696 3.6697 3.7944 3.7948 4.1583 4.1585 9.2652 9.2662 9.6394 9.6397 10.5697 10.5718 10.9129 10.9152 11.2209 11.2217 k = 0.0000 0.5594-0.0000 ( 5022 PWs) bands (ev): -13.2395 -13.2395 -12.9868 -12.9868 -11.4864 -11.4864 -11.1635 -11.1635 -9.4562 -9.4562 -9.4233 -9.4233 -4.5545 -4.5545 -4.1787 -4.1787 -1.9596 -1.9596 -1.8605 -1.8605 -1.2934 -1.2934 -0.5556 -0.5556 0.4175 0.4175 0.4557 0.4557 0.7674 0.7674 1.2374 1.2374 2.2151 2.2151 2.4720 2.4720 2.6089 2.6089 3.0279 3.0279 3.2634 3.2634 3.6688 3.6688 3.7947 3.7947 4.1595 4.1595 9.2655 9.2655 9.6390 9.6390 10.5713 10.5713 10.9144 10.9144 11.2222 11.2222 k = 0.0000 0.5594-0.0000 ( 5022 PWs) bands (ev): -13.2395 -13.2395 -12.9868 -12.9868 -11.4864 -11.4864 -11.1635 -11.1635 -9.4562 -9.4562 -9.4233 -9.4233 -4.5545 -4.5545 -4.1787 -4.1787 -1.9596 -1.9596 -1.8605 -1.8605 -1.2934 -1.2934 -0.5556 -0.5556 0.4175 0.4175 0.4557 0.4557 0.7674 0.7674 1.2374 1.2374 2.2151 2.2151 2.4720 2.4720 2.6089 2.6089 3.0279 3.0279 3.2634 3.2634 3.6688 3.6688 3.7947 3.7947 4.1595 4.1595 9.2655 9.2655 9.6390 9.6390 10.5713 10.5713 10.9144 10.9144 11.2222 11.2222 k = 0.0000 0.5594 0.0173 ( 5020 PWs) bands (ev): -13.2392 -13.2392 -12.9868 -12.9868 -11.4856 -11.4856 -11.1630 -11.1628 -9.4584 -9.4579 -9.4255 -9.4253 -4.5528 -4.5528 -4.1771 -4.1762 -1.9572 -1.9567 -1.8623 -1.8614 -1.2925 -1.2917 -0.5622 -0.5593 0.4178 0.4187 0.4548 0.4575 0.7681 0.7689 1.2384 1.2396 2.2152 2.2160 2.4629 2.4635 2.6160 2.6164 3.0279 3.0283 3.2626 3.2626 3.6690 3.6693 3.7953 3.7953 4.1592 4.1593 9.2625 9.2643 9.6372 9.6377 10.5445 10.5503 10.9368 10.9413 11.2025 11.2033 k = 0.0000 0.5594 0.0346 ( 5024 PWs) bands (ev): -13.2382 -13.2382 -12.9868 -12.9867 -11.4831 -11.4831 -11.1613 -11.1611 -9.4645 -9.4635 -9.4318 -9.4316 -4.5479 -4.5478 -4.1713 -4.1695 -1.9496 -1.9486 -1.8668 -1.8649 -1.2889 -1.2873 -0.5788 -0.5731 0.4182 0.4215 0.4545 0.4612 0.7710 0.7726 1.2427 1.2450 2.2163 2.2179 2.4400 2.4412 2.6337 2.6346 3.0283 3.0291 3.2601 3.2602 3.6700 3.6705 3.7970 3.7971 4.1586 4.1588 9.2553 9.2590 9.6324 9.6332 10.4851 10.4946 10.9952 11.0017 11.1713 11.1718 k = 0.0000 0.5594 0.0519 ( 5020 PWs) bands (ev): -13.2366 -13.2366 -12.9867 -12.9866 -11.4791 -11.4791 -11.1585 -11.1582 -9.4744 -9.4729 -9.4423 -9.4419 -4.5397 -4.5396 -4.1615 -4.1588 -1.9371 -1.9355 -1.8741 -1.8711 -1.2822 -1.2800 -0.6047 -0.5965 0.4174 0.4248 0.4557 0.4677 0.7763 0.7785 1.2500 1.2533 2.2183 2.2208 2.4094 2.4111 2.6562 2.6575 3.0292 3.0303 3.2561 3.2563 3.6716 3.6722 3.8000 3.8002 4.1576 4.1579 9.2443 9.2497 9.6246 9.6256 10.4124 10.4242 11.0684 11.0746 11.1410 11.1416 k = 0.0000 0.5594 0.0692 ( 5012 PWs) bands (ev): -13.2344 -13.2343 -12.9866 -12.9865 -11.4734 -11.4734 -11.1546 -11.1541 -9.4881 -9.4860 -9.4568 -9.4562 -4.5283 -4.5281 -4.1476 -4.1440 -1.9208 -1.9181 -1.8838 -1.8793 -1.2722 -1.2694 -0.6387 -0.6285 0.4148 0.4265 0.4599 0.4771 0.7838 0.7864 1.2598 1.2640 2.2209 2.2243 2.3745 2.3767 2.6801 2.6819 3.0305 3.0319 3.2505 3.2508 3.6735 3.6742 3.8043 3.8046 4.1562 4.1566 9.2300 9.2371 9.6137 9.6147 10.3360 10.3498 11.1020 11.1040 11.1538 11.1627 k = 0.0000 0.5594 0.0865 ( 5010 PWs) bands (ev): -13.2316 -13.2315 -12.9864 -12.9864 -11.4661 -11.4661 -11.1495 -11.1489 -9.5054 -9.5028 -9.4752 -9.4745 -4.5137 -4.5135 -4.1299 -4.1254 -1.9091 -1.9072 -1.8856 -1.8815 -1.2584 -1.2549 -0.6796 -0.6679 0.4106 0.4256 0.4674 0.4883 0.7935 0.7961 1.2716 1.2767 2.2241 2.2284 2.3369 2.3395 2.7041 2.7063 3.0324 3.0339 3.2435 3.2438 3.6754 3.6762 3.8099 3.8104 4.1544 4.1549 9.2131 9.2217 9.5999 9.6006 10.2605 10.2762 11.0748 11.0765 11.2300 11.2385 k = 0.0000 0.5594 0.1038 ( 5004 PWs) bands (ev): -13.2282 -13.2281 -12.9863 -12.9863 -11.4572 -11.4571 -11.1433 -11.1426 -9.5262 -9.5232 -9.4973 -9.4964 -4.4962 -4.4960 -4.1084 -4.1031 -1.9216 -1.9194 -1.8613 -1.8610 -1.2403 -1.2363 -0.7263 -0.7134 0.4055 0.4228 0.4772 0.5002 0.8051 0.8075 1.2848 1.2905 2.2275 2.2326 2.2976 2.3006 2.7275 2.7301 3.0347 3.0364 3.2352 3.2355 3.6771 3.6778 3.8171 3.8178 4.1522 4.1528 9.1945 9.2043 9.5832 9.5832 10.1883 10.2061 11.0464 11.0481 11.3039 11.3121 k = 0.0000 0.5594 0.1211 ( 5008 PWs) bands (ev): -13.2241 -13.2240 -12.9862 -12.9862 -11.4467 -11.4465 -11.1359 -11.1351 -9.5504 -9.5469 -9.5228 -9.5218 -4.4757 -4.4755 -4.0834 -4.0774 -1.9435 -1.9398 -1.8302 -1.8291 -1.2176 -1.2132 -0.7774 -0.7638 0.4000 0.4190 0.4879 0.5120 0.8184 0.8203 1.2987 1.3050 2.2302 2.2356 2.2581 2.2608 2.7500 2.7529 3.0375 3.0394 3.2257 3.2260 3.6781 3.6787 3.8256 3.8265 4.1494 4.1502 9.1748 9.1859 9.5627 9.5638 10.1210 10.1412 11.0186 11.0206 11.3711 11.3791 k = 0.0000 0.5594 0.1384 ( 5002 PWs) bands (ev): -13.2196 -13.2195 -12.9862 -12.9861 -11.4345 -11.4343 -11.1274 -11.1264 -9.5778 -9.5738 -9.5516 -9.5504 -4.4525 -4.4523 -4.0551 -4.0483 -1.9701 -1.9655 -1.7945 -1.7925 -1.1901 -1.1852 -0.8316 -0.8176 0.3946 0.4150 0.4986 0.5231 0.8330 0.8342 1.3126 1.3194 2.2130 2.2162 2.2364 2.2429 2.7714 2.7746 3.0409 3.0427 3.2152 3.2155 3.6784 3.6787 3.8355 3.8366 4.1463 4.1471 9.1550 9.1672 9.5394 9.5418 10.0597 10.0825 10.9917 10.9938 11.4296 11.4375 k = 0.0000 0.5594 0.1557 ( 5000 PWs) bands (ev): -13.2145 -13.2144 -12.9861 -12.9861 -11.4207 -11.4205 -11.1177 -11.1166 -9.6083 -9.6039 -9.5833 -9.5820 -4.4267 -4.4265 -4.0237 -4.0162 -2.0008 -1.9956 -1.7554 -1.7525 -1.1576 -1.1525 -0.8874 -0.8735 0.3897 0.4112 0.5087 0.5332 0.8485 0.8488 1.3258 1.3329 2.1717 2.1757 2.2372 2.2452 2.7916 2.7950 3.0448 3.0465 3.2039 3.2043 3.6776 3.6777 3.8466 3.8478 4.1426 4.1436 9.1361 9.1492 9.5139 9.5178 10.0051 10.0305 10.9655 10.9678 11.4786 11.4865 k = 0.0000 0.5594 0.1730 ( 5002 PWs) bands (ev): -13.2089 -13.2088 -12.9862 -12.9862 -11.4052 -11.4050 -11.1068 -11.1055 -9.6416 -9.6370 -9.6175 -9.6162 -4.3984 -4.3983 -3.9894 -3.9813 -2.0355 -2.0298 -1.7142 -1.7103 -1.1202 -1.1152 -0.9430 -0.9298 0.3854 0.4078 0.5179 0.5421 0.8636 0.8644 1.3374 1.3450 2.1298 2.1339 2.2377 2.2468 2.8106 2.8142 3.0491 3.0505 3.1922 3.1926 3.6756 3.6756 3.8586 3.8600 4.1384 4.1396 9.1188 9.1328 9.4870 9.4924 9.9573 9.9855 10.9400 10.9423 11.5183 11.5265 k = 0.0000 0.5594 0.1903 ( 5002 PWs) bands (ev): -13.2029 -13.2027 -12.9864 -12.9863 -11.3881 -11.3879 -11.0947 -11.0933 -9.6777 -9.6729 -9.6540 -9.6527 -4.3678 -4.3677 -3.9526 -3.9438 -2.0737 -2.0677 -1.6728 -1.6677 -1.0783 -1.0748 -0.9946 -0.9841 0.3819 0.4051 0.5262 0.5499 0.8783 0.8802 1.3468 1.3547 2.0881 2.0923 2.2365 2.2466 2.8282 2.8320 3.0536 3.0545 3.1807 3.1810 3.6721 3.6724 3.8714 3.8729 4.1338 4.1350 9.1039 9.1188 9.4597 9.4668 9.9164 9.9471 10.9149 10.9172 11.5497 11.5583 k = 0.0000 0.5594 0.2076 ( 5004 PWs) bands (ev): -13.1964 -13.1962 -12.9867 -12.9866 -11.3694 -11.3691 -11.0814 -11.0799 -9.7164 -9.7116 -9.6922 -9.6912 -4.3350 -4.3350 -3.9134 -3.9041 -2.1151 -2.1088 -1.6340 -1.6273 -1.0585 -1.0441 -1.0213 -1.0124 0.3794 0.4033 0.5335 0.5566 0.8926 0.8955 1.3531 1.3615 2.0474 2.0516 2.2331 2.2443 2.8445 2.8484 3.0577 3.0580 3.1702 3.1702 3.6674 3.6680 3.8847 3.8863 4.1287 4.1301 9.0922 9.1079 9.4335 9.4419 9.8819 9.9151 10.8901 10.8923 11.5739 11.5833 k = 0.0000 0.5594 0.2249 ( 5002 PWs) bands (ev): -13.1895 -13.1893 -12.9872 -12.9871 -11.3490 -11.3487 -11.0669 -11.0653 -9.7574 -9.7529 -9.7319 -9.7313 -4.3003 -4.3002 -3.8723 -3.8624 -2.1592 -2.1528 -1.6027 -1.5937 -1.0906 -1.0777 -0.9769 -0.9673 0.3778 0.4023 0.5398 0.5622 0.9061 0.9099 1.3556 1.3644 2.0083 2.0123 2.2271 2.2392 2.8593 2.8633 3.0602 3.0607 3.1613 3.1616 3.6615 3.6622 3.8982 3.8998 4.1232 4.1247 9.0844 9.1008 9.4095 9.4192 9.8533 9.8886 10.8655 10.8674 11.5921 11.6025 k = 0.0000 0.5594 0.2422 ( 5004 PWs) bands (ev): -13.1823 -13.1820 -12.9878 -12.9877 -11.3270 -11.3267 -11.0512 -11.0495 -9.8006 -9.7964 -9.7729 -9.7728 -4.2637 -4.2635 -3.8294 -3.8191 -2.2055 -2.1991 -1.5851 -1.5735 -1.1119 -1.1020 -0.9216 -0.9121 0.3773 0.4023 0.5452 0.5669 0.9185 0.9231 1.3535 1.3628 1.9714 1.9751 2.2179 2.2310 2.8726 2.8767 3.0597 3.0613 3.1558 3.1566 3.6541 3.6551 3.9117 3.9133 4.1174 4.1190 9.0808 9.0981 9.3891 9.3997 9.8299 9.8671 10.8408 10.8424 11.6051 11.6167 k = 0.0000 0.5594 0.2595 ( 5004 PWs) bands (ev): -13.1747 -13.1745 -12.9887 -12.9886 -11.3034 -11.3031 -11.0343 -11.0325 -9.8456 -9.8418 -9.8154 -9.8150 -4.2254 -4.2250 -3.7851 -3.7744 -2.2536 -2.2473 -1.5877 -1.5732 -1.1111 -1.1040 -0.8621 -0.8525 0.3777 0.4031 0.5497 0.5708 0.9295 0.9349 1.3460 1.3559 1.9373 1.9406 2.2053 2.2193 2.8844 2.8886 3.0557 3.0582 3.1551 3.1563 3.6455 3.6467 3.9250 3.9266 4.1113 4.1130 9.0821 9.1002 9.3733 9.3848 9.8111 9.8500 10.8158 10.8169 11.6131 11.6264 k = 0.0000 0.5594 0.2768 ( 5008 PWs) bands (ev): -13.1669 -13.1666 -12.9898 -12.9897 -11.2783 -11.2779 -11.0163 -11.0144 -9.8923 -9.8888 -9.8589 -9.8580 -4.1854 -4.1849 -3.7398 -3.7288 -2.3028 -2.2968 -1.6117 -1.5951 -1.0865 -1.0812 -0.7990 -0.7891 0.3791 0.4048 0.5534 0.5738 0.9389 0.9448 1.3324 1.3431 1.9067 1.9095 2.1893 2.2041 2.8946 2.8989 3.0481 3.0513 3.1595 3.1608 3.6356 3.6370 3.9380 3.9395 4.1050 4.1069 9.0884 9.1075 9.3631 9.3751 9.7963 9.8366 10.7903 10.7908 11.6162 11.6312 k = 0.0000 0.5594 0.2941 ( 5008 PWs) bands (ev): -13.1588 -13.1586 -12.9912 -12.9910 -11.2515 -11.2511 -10.9971 -10.9951 -9.9402 -9.9371 -9.9030 -9.9017 -4.1439 -4.1433 -3.6939 -3.6827 -2.3527 -2.3469 -1.6530 -1.6352 -1.0420 -1.0376 -0.7329 -0.7226 0.3813 0.4074 0.5563 0.5761 0.9465 0.9528 1.3125 1.3239 1.8800 1.8823 2.1697 2.1852 2.9032 2.9076 3.0378 3.0415 3.1682 3.1694 3.6245 3.6260 3.9504 3.9518 4.0987 4.1006 9.1000 9.1201 9.3590 9.3715 9.7851 9.8267 10.7638 10.7639 11.6129 11.6299 k = 0.0000 0.5594 0.3114 ( 5012 PWs) bands (ev): -13.1506 -13.1503 -12.9928 -12.9927 -11.2232 -11.2228 -10.9767 -10.9746 -9.9891 -9.9863 -9.9477 -9.9460 -4.1011 -4.1003 -3.6478 -3.6365 -2.4024 -2.3971 -1.7060 -1.6877 -0.9835 -0.9794 -0.6643 -0.6536 0.3844 0.4106 0.5584 0.5778 0.9519 0.9584 1.2860 1.2983 1.8574 1.8590 2.1468 2.1628 2.9103 2.9148 3.0258 3.0299 3.1802 3.1812 3.6123 3.6140 3.9623 3.9636 4.0925 4.0945 9.1170 9.1382 9.3617 9.3745 9.7770 9.8197 10.7355 10.7363 11.5793 11.6020 k = 0.0000 0.5594 0.3287 ( 5010 PWs) bands (ev): -13.1422 -13.1420 -12.9948 -12.9946 -11.1934 -11.1929 -10.9553 -10.9531 -10.0387 -10.0362 -9.9926 -9.9907 -4.0569 -4.0560 -3.6021 -3.5908 -2.4514 -2.4466 -1.7662 -1.7477 -0.9157 -0.9113 -0.5938 -0.5826 0.3882 0.4146 0.5599 0.5788 0.9550 0.9615 1.2533 1.2665 1.8388 1.8398 2.1207 2.1372 2.9158 2.9204 3.0131 3.0175 3.1944 3.1951 3.5991 3.6008 3.9734 3.9746 4.0864 4.0884 9.1391 9.1616 9.3714 9.3842 9.7716 9.8153 10.7055 10.7072 11.5148 11.5386 k = 0.0000 0.5594 0.3460 ( 5004 PWs) bands (ev): -13.1338 -13.1335 -12.9971 -12.9969 -11.1622 -11.1617 -10.9328 -10.9306 -10.0887 -10.0864 -10.0377 -10.0355 -4.0117 -4.0106 -3.5576 -3.5465 -2.4986 -2.4946 -1.8306 -1.8121 -0.8416 -0.8369 -0.5219 -0.5103 0.3926 0.4190 0.5607 0.5792 0.9554 0.9617 1.2149 1.2291 1.8238 1.8242 2.0921 2.1088 2.9199 2.9246 3.0004 3.0049 3.2103 3.2107 3.5849 3.5868 3.9838 3.9848 4.0806 4.0826 9.1663 9.1901 9.3881 9.4007 9.7687 9.8132 10.6735 10.6760 11.4472 11.4712 k = 0.0000 0.5594 0.3633 ( 5006 PWs) bands (ev): -13.1253 -13.1250 -12.9997 -12.9995 -11.1295 -11.1290 -10.9095 -10.9072 -10.1387 -10.1365 -10.0827 -10.0802 -3.9654 -3.9642 -3.5152 -3.5045 -2.5429 -2.5398 -1.8975 -1.8791 -0.7635 -0.7582 -0.4495 -0.4375 0.3976 0.4239 0.5609 0.5790 0.9529 0.9587 1.1718 1.1869 1.8119 1.8121 2.0614 2.0782 2.9226 2.9274 2.9879 2.9926 3.2272 3.2273 3.5700 3.5720 3.9933 3.9941 4.0751 4.0772 9.1982 9.2235 9.4116 9.4238 9.7680 9.8131 10.6388 10.6422 11.3788 11.4034 k = 0.0000 0.5594 0.3806 ( 5004 PWs) bands (ev): -13.1168 -13.1165 -13.0027 -13.0025 -11.0956 -11.0950 -10.8855 -10.8830 -10.1883 -10.1863 -10.1273 -10.1247 -3.9183 -3.9169 -3.4760 -3.4659 -2.5830 -2.5811 -1.9656 -1.9474 -0.6829 -0.6769 -0.3775 -0.3652 0.4032 0.4291 0.5605 0.5783 0.9471 0.9522 1.1251 1.1410 1.8024 1.8031 2.0295 2.0461 2.9241 2.9291 2.9760 2.9809 3.2448 3.2449 3.5546 3.5566 4.0019 4.0026 4.0701 4.0721 9.2342 9.2611 9.4415 9.4528 9.7696 9.8147 10.6011 10.6053 11.3114 11.3368 k = 0.0000 0.5594 0.3979 ( 5006 PWs) bands (ev): -13.1083 -13.1080 -13.0060 -13.0058 -11.0605 -11.0598 -10.8610 -10.8585 -10.2371 -10.2352 -10.1713 -10.1686 -3.8704 -3.8689 -3.4417 -3.4325 -2.6172 -2.6168 -2.0342 -2.0163 -0.6010 -0.5943 -0.3070 -0.2946 0.4094 0.4344 0.5597 0.5770 0.9376 0.9419 1.0760 1.0927 1.7952 1.7965 1.9970 2.0133 2.9245 2.9296 2.9650 2.9701 3.2627 3.2630 3.5386 3.5407 4.0096 4.0101 4.0655 4.0675 9.2738 9.3024 9.4770 9.4869 9.7734 9.8181 10.5596 10.5645 11.2465 11.2733 k = 0.0000 0.5594 0.4152 ( 5004 PWs) bands (ev): -13.0999 -13.0996 -13.0098 -13.0095 -11.0243 -11.0236 -10.8364 -10.8339 -10.2846 -10.2828 -10.2146 -10.2118 -3.8220 -3.8203 -3.4140 -3.4060 -2.6448 -2.6435 -2.1026 -2.0849 -0.5189 -0.5116 -0.2395 -0.2273 0.4163 0.4400 0.5583 0.5751 0.9243 0.9276 1.0261 1.0433 1.7900 1.7920 1.9650 1.9807 2.9242 2.9294 2.9550 2.9602 3.2808 3.2814 3.5224 3.5244 4.0164 4.0168 4.0615 4.0633 9.3160 9.3466 9.5169 9.5241 9.7804 9.8234 10.5137 10.5192 11.1860 11.2144 k = 0.0000 0.5594 0.4325 ( 4998 PWs) bands (ev): -13.0917 -13.0914 -13.0139 -13.0137 -10.9873 -10.9866 -10.8125 -10.8099 -10.3299 -10.3282 -10.2568 -10.2539 -3.7733 -3.7714 -3.3949 -3.3884 -2.6632 -2.6598 -2.1703 -2.1530 -0.4379 -0.4298 -0.1767 -0.1652 0.4244 0.4457 0.5562 0.5725 0.9068 0.9095 0.9773 0.9944 1.7867 1.7893 1.9343 1.9492 2.9232 2.9285 2.9462 2.9514 3.2990 3.2998 3.5059 3.5080 4.0224 4.0225 4.0579 4.0597 9.3600 9.3927 9.5590 9.5615 9.7921 9.8315 10.4628 10.4689 11.1318 11.1622 k = 0.0000 0.5594 0.4498 ( 4996 PWs) bands (ev): -13.0836 -13.0833 -13.0184 -13.0182 -10.9498 -10.9489 -10.7901 -10.7875 -10.3719 -10.3702 -10.2975 -10.2945 -3.7244 -3.7225 -3.3861 -3.3814 -2.6700 -2.6644 -2.2369 -2.2199 -0.3591 -0.3502 -0.1211 -0.1110 0.4340 0.4519 0.5534 0.5691 0.8848 0.8879 0.9324 0.9478 1.7851 1.7884 1.9056 1.9195 2.9218 2.9273 2.9385 2.9438 3.3172 3.3182 3.4894 3.4913 4.0275 4.0275 4.0548 4.0565 9.4047 9.4395 9.5946 9.5996 9.8118 9.8445 10.4069 10.4133 11.0857 11.1184 k = 0.0000 0.5594 0.4671 ( 4998 PWs) bands (ev): -13.0757 -13.0754 -13.0234 -13.0231 -10.9121 -10.9112 -10.7710 -10.7685 -10.4088 -10.4071 -10.3362 -10.3333 -3.6759 -3.6739 -3.3886 -3.3856 -2.6644 -2.6565 -2.3019 -2.2852 -0.2839 -0.2745 -0.0755 -0.0679 0.4461 0.4589 0.5492 0.5645 0.8589 0.8640 0.8942 0.9055 1.7854 1.7894 1.8796 1.8924 2.9204 2.9259 2.9321 2.9375 3.3352 3.3363 3.4727 3.4746 4.0317 4.0320 4.0521 4.0536 9.4488 9.4856 9.6180 9.6335 9.8434 9.8662 10.3459 10.3525 11.0494 11.0845 k = 0.0000 0.5594 0.4844 ( 4996 PWs) bands (ev): -13.0681 -13.0678 -13.0287 -13.0284 -10.8749 -10.8738 -10.7577 -10.7553 -10.4379 -10.4361 -10.3724 -10.3695 -3.6280 -3.6260 -3.4020 -3.4006 -2.6464 -2.6365 -2.3647 -2.3485 -0.2140 -0.2043 -0.0433 -0.0391 0.4612 0.4677 0.5430 0.5580 0.8327 0.8402 0.8633 0.8692 1.7876 1.7925 1.8567 1.8684 2.9191 2.9247 2.9269 2.9324 3.3531 3.3543 3.4560 3.4578 4.0353 4.0357 4.0497 4.0511 9.4910 9.5297 9.6284 9.6548 9.8884 9.9007 10.2806 10.2872 11.0241 11.0617 k = 0.0000 0.5594 0.5017 ( 4994 PWs) bands (ev): -13.0607 -13.0604 -13.0344 -13.0341 -10.8392 -10.8380 -10.7535 -10.7513 -10.4560 -10.4540 -10.4048 -10.4020 -3.5813 -3.5794 -3.4252 -3.4250 -2.6173 -2.6057 -2.4247 -2.4090 -0.1515 -0.1419 -0.0276 -0.0275 0.4787 0.4795 0.5339 0.5487 0.8127 0.8205 0.8379 0.8400 1.7920 1.7978 1.8373 1.8477 2.9183 2.9230 2.9239 2.9286 3.3707 3.3720 3.4392 3.4409 4.0383 4.0389 4.0475 4.0487 9.5299 9.5702 9.6263 9.6608 9.9448 9.9489 10.2123 10.2186 11.0109 11.0507 k = 0.0000 0.5594 0.5190 ( 4994 PWs) bands (ev): -13.0536 -13.0533 -13.0404 -13.0401 -10.8065 -10.8052 -10.7608 -10.7589 -10.4606 -10.4583 -10.4321 -10.4294 -3.5365 -3.5349 -3.4570 -3.4563 -2.5789 -2.5659 -2.4811 -2.4661 -0.0989 -0.0901 -0.0343 -0.0305 0.4922 0.4995 0.5216 0.5359 0.8035 0.8090 0.8181 0.8192 1.7989 1.8057 1.8212 1.8304 2.9181 2.9203 2.9237 2.9259 3.3881 3.3895 3.4223 3.4240 4.0409 4.0417 4.0454 4.0465 9.5642 9.6054 9.6137 9.6528 10.0079 10.0088 10.1426 10.1480 11.0100 11.0453 k = 0.0000 0.5594 0.5363 ( 5004 PWs) bands (ev): -13.0469 -13.0469 -13.0466 -13.0466 -10.7793 -10.7793 -10.7778 -10.7778 -10.4517 -10.4517 -10.4492 -10.4492 -3.4947 -3.4947 -3.4934 -3.4934 -2.5329 -2.5329 -2.5188 -2.5188 -0.0589 -0.0589 -0.0519 -0.0519 0.5071 0.5071 0.5191 0.5191 0.8058 0.8058 0.8084 0.8084 1.8085 1.8085 1.8165 1.8165 2.9187 2.9187 2.9243 2.9243 3.4052 3.4052 3.4068 3.4068 4.0432 4.0432 4.0442 4.0442 9.5925 9.5925 9.6336 9.6336 10.0735 10.0735 10.0774 10.0774 11.0216 11.0216 k = 0.0000 0.5594 0.5363 ( 5004 PWs) bands (ev): -13.0469 -13.0469 -13.0466 -13.0466 -10.7793 -10.7793 -10.7778 -10.7778 -10.4517 -10.4517 -10.4492 -10.4492 -3.4947 -3.4947 -3.4934 -3.4934 -2.5329 -2.5329 -2.5188 -2.5188 -0.0589 -0.0589 -0.0519 -0.0519 0.5071 0.5071 0.5191 0.5191 0.8058 0.8058 0.8084 0.8084 1.8085 1.8085 1.8165 1.8165 2.9187 2.9187 2.9243 2.9243 3.4052 3.4052 3.4068 3.4068 4.0432 4.0432 4.0442 4.0442 9.5925 9.5925 9.6336 9.6336 10.0735 10.0735 10.0774 10.0774 11.0216 11.0216 k = 0.0173 0.5594 0.5363 ( 5004 PWs) bands (ev): -13.0466 -13.0466 -13.0463 -13.0463 -10.7815 -10.7815 -10.7798 -10.7798 -10.4500 -10.4500 -10.4474 -10.4474 -3.4934 -3.4934 -3.4918 -3.4918 -2.5346 -2.5346 -2.5205 -2.5205 -0.0581 -0.0581 -0.0512 -0.0512 0.5043 0.5043 0.5181 0.5181 0.8056 0.8056 0.8131 0.8131 1.8074 1.8074 1.8154 1.8154 2.9202 2.9202 2.9259 2.9259 3.4054 3.4054 3.4071 3.4071 4.0416 4.0416 4.0426 4.0426 9.5910 9.5910 9.6318 9.6318 10.0741 10.0741 10.0800 10.0800 11.0202 11.0202 k = 0.0345 0.5594 0.5363 ( 4998 PWs) bands (ev): -13.0458 -13.0458 -13.0455 -13.0455 -10.7880 -10.7880 -10.7859 -10.7859 -10.4449 -10.4449 -10.4422 -10.4422 -3.4893 -3.4893 -3.4872 -3.4872 -2.5395 -2.5395 -2.5255 -2.5255 -0.0559 -0.0559 -0.0490 -0.0490 0.4969 0.4969 0.5144 0.5144 0.8091 0.8091 0.8228 0.8228 1.8043 1.8043 1.8123 1.8123 2.9248 2.9248 2.9306 2.9306 3.4058 3.4058 3.4079 3.4079 4.0365 4.0365 4.0378 4.0378 9.5867 9.5867 9.6267 9.6267 10.0768 10.0768 10.0866 10.0866 11.0160 11.0160 k = 0.0518 0.5594 0.5363 ( 4992 PWs) bands (ev): -13.0445 -13.0445 -13.0442 -13.0442 -10.7982 -10.7982 -10.7957 -10.7957 -10.4368 -10.4368 -10.4339 -10.4339 -3.4825 -3.4825 -3.4797 -3.4797 -2.5477 -2.5477 -2.5337 -2.5337 -0.0523 -0.0523 -0.0454 -0.0454 0.4863 0.4863 0.5077 0.5077 0.8169 0.8169 0.8359 0.8359 1.7991 1.7991 1.8072 1.8072 2.9324 2.9324 2.9382 2.9382 3.4066 3.4066 3.4092 3.4092 4.0283 4.0283 4.0298 4.0298 9.5797 9.5797 9.6185 9.6185 10.0823 10.0823 10.0960 10.0960 11.0092 11.0092 k = 0.0690 0.5594 0.5363 ( 5000 PWs) bands (ev): -13.0428 -13.0428 -13.0424 -13.0424 -10.8115 -10.8115 -10.8087 -10.8087 -10.4263 -10.4263 -10.4231 -10.4231 -3.4730 -3.4730 -3.4694 -3.4694 -2.5590 -2.5590 -2.5451 -2.5451 -0.0472 -0.0472 -0.0403 -0.0403 0.4735 0.4735 0.4982 0.4982 0.8284 0.8284 0.8516 0.8516 1.7921 1.7921 1.8004 1.8004 2.9426 2.9426 2.9484 2.9484 3.4078 3.4078 3.4110 3.4110 4.0169 4.0169 4.0188 4.0188 9.5705 9.5705 9.6077 9.6077 10.0905 10.0905 10.1079 10.1079 11.0000 11.0000 k = 0.0863 0.5594 0.5363 ( 4998 PWs) bands (ev): -13.0405 -13.0405 -13.0401 -13.0401 -10.8274 -10.8274 -10.8244 -10.8244 -10.4137 -10.4137 -10.4104 -10.4104 -3.4609 -3.4609 -3.4565 -3.4565 -2.5732 -2.5732 -2.5593 -2.5593 -0.0408 -0.0408 -0.0338 -0.0338 0.4591 0.4591 0.4863 0.4863 0.8428 0.8428 0.8693 0.8693 1.7836 1.7836 1.7920 1.7920 2.9551 2.9551 2.9610 2.9610 3.4096 3.4096 3.4134 3.4134 4.0025 4.0025 4.0047 4.0047 9.5595 9.5595 9.5948 9.5948 10.1012 10.1012 10.1219 10.1219 10.9885 10.9885 k = 0.1036 0.5594 0.5363 ( 4998 PWs) bands (ev): -13.0378 -13.0378 -13.0373 -13.0373 -10.8454 -10.8454 -10.8421 -10.8421 -10.3996 -10.3996 -10.3962 -10.3962 -3.4465 -3.4465 -3.4413 -3.4413 -2.5901 -2.5901 -2.5763 -2.5763 -0.0331 -0.0331 -0.0259 -0.0259 0.4438 0.4438 0.4727 0.4727 0.8595 0.8595 0.8883 0.8883 1.7738 1.7738 1.7823 1.7823 2.9695 2.9695 2.9755 2.9755 3.4121 3.4121 3.4165 3.4165 3.9852 3.9852 3.9879 3.9879 9.5470 9.5470 9.5804 9.5804 10.1139 10.1139 10.1375 10.1375 10.9750 10.9750 k = 0.1208 0.5594 0.5363 ( 4998 PWs) bands (ev): -13.0347 -13.0347 -13.0342 -13.0342 -10.8649 -10.8649 -10.8614 -10.8614 -10.3845 -10.3845 -10.3809 -10.3809 -3.4300 -3.4300 -3.4240 -3.4240 -2.6094 -2.6094 -2.5956 -2.5956 -0.0241 -0.0241 -0.0166 -0.0166 0.4279 0.4279 0.4579 0.4579 0.8777 0.8777 0.9083 0.9083 1.7630 1.7630 1.7717 1.7717 2.9854 2.9854 2.9915 2.9915 3.4153 3.4153 3.4203 3.4203 3.9652 3.9652 3.9683 3.9683 9.5337 9.5337 9.5650 9.5650 10.1284 10.1284 10.1546 10.1546 10.9599 10.9599 k = 0.1381 0.5594 0.5363 ( 4988 PWs) bands (ev): -13.0312 -13.0312 -13.0307 -13.0307 -10.8856 -10.8856 -10.8819 -10.8819 -10.3685 -10.3685 -10.3649 -10.3649 -3.4119 -3.4119 -3.4051 -3.4051 -2.6306 -2.6306 -2.6169 -2.6169 -0.0140 -0.0140 -0.0061 -0.0061 0.4118 0.4118 0.4422 0.4422 0.8970 0.8970 0.9287 0.9287 1.7515 1.7515 1.7604 1.7604 3.0023 3.0023 3.0083 3.0083 3.4195 3.4195 3.4251 3.4251 3.9428 3.9428 3.9463 3.9463 9.5199 9.5199 9.5490 9.5490 10.1444 10.1444 10.1728 10.1728 10.9434 10.9434 k = 0.1553 0.5594 0.5363 ( 4984 PWs) bands (ev): -13.0274 -13.0274 -13.0268 -13.0268 -10.9070 -10.9070 -10.9032 -10.9032 -10.3521 -10.3521 -10.3484 -10.3484 -3.3925 -3.3925 -3.3849 -3.3849 -2.6533 -2.6533 -2.6396 -2.6396 -0.0028 -0.0028 0.0057 0.0057 0.3956 0.3956 0.4261 0.4261 0.9168 0.9168 0.9492 0.9492 1.7397 1.7397 1.7486 1.7486 3.0195 3.0195 3.0255 3.0255 3.4248 3.4248 3.4310 3.4310 3.9182 3.9182 3.9222 3.9222 9.5058 9.5058 9.5329 9.5329 10.1617 10.1617 10.1919 10.1919 10.9258 10.9258 k = 0.1726 0.5594 0.5363 ( 4990 PWs) bands (ev): -13.0233 -13.0233 -13.0227 -13.0227 -10.9289 -10.9289 -10.9251 -10.9251 -10.3353 -10.3353 -10.3316 -10.3316 -3.3726 -3.3726 -3.3642 -3.3642 -2.6769 -2.6769 -2.6631 -2.6631 0.0095 0.0095 0.0188 0.0188 0.3794 0.3794 0.4096 0.4096 0.9367 0.9367 0.9695 0.9695 1.7279 1.7279 1.7369 1.7369 3.0365 3.0365 3.0424 3.0424 3.4315 3.4315 3.4383 3.4383 3.8918 3.8918 3.8961 3.8961 9.4919 9.4919 9.5170 9.5170 10.1799 10.1799 10.2117 10.2117 10.9075 10.9075 k = 0.1898 0.5594 0.5363 ( 4986 PWs) bands (ev): -13.0190 -13.0190 -13.0184 -13.0184 -10.9511 -10.9511 -10.9472 -10.9472 -10.3184 -10.3184 -10.3147 -10.3147 -3.3529 -3.3529 -3.3437 -3.3437 -2.7004 -2.7004 -2.6865 -2.6865 0.0228 0.0228 0.0329 0.0329 0.3635 0.3635 0.3931 0.3931 0.9563 0.9563 0.9893 0.9893 1.7163 1.7163 1.7253 1.7253 3.0526 3.0526 3.0584 3.0584 3.4399 3.4399 3.4471 3.4471 3.8637 3.8637 3.8685 3.8685 9.4783 9.4783 9.5016 9.5016 10.1989 10.1989 10.2319 10.2319 10.8889 10.8889 k = 0.2071 0.5594 0.5363 ( 4986 PWs) bands (ev): -13.0146 -13.0146 -13.0139 -13.0139 -10.9733 -10.9733 -10.9694 -10.9694 -10.3014 -10.3014 -10.2977 -10.2977 -3.3344 -3.3344 -3.3246 -3.3246 -2.7228 -2.7228 -2.7088 -2.7088 0.0369 0.0369 0.0481 0.0481 0.3478 0.3478 0.3766 0.3766 0.9754 0.9754 1.0084 1.0084 1.7052 1.7052 1.7142 1.7142 3.0674 3.0674 3.0730 3.0730 3.4501 3.4501 3.4578 3.4578 3.8345 3.8345 3.8397 3.8397 9.4651 9.4651 9.4868 9.4868 10.2184 10.2184 10.2522 10.2522 10.8703 10.8703 k = 0.2244 0.5594 0.5363 ( 4990 PWs) bands (ev): -13.0101 -13.0101 -13.0094 -13.0094 -10.9953 -10.9953 -10.9914 -10.9914 -10.2844 -10.2844 -10.2808 -10.2808 -3.3185 -3.3185 -3.3083 -3.3083 -2.7427 -2.7427 -2.7287 -2.7287 0.0519 0.0519 0.0643 0.0643 0.3325 0.3325 0.3603 0.3603 0.9936 0.9936 1.0264 1.0264 1.6949 1.6949 1.7038 1.7038 3.0801 3.0801 3.0855 3.0855 3.4624 3.4624 3.4704 3.4704 3.8045 3.8045 3.8101 3.8101 9.4524 9.4524 9.4727 9.4727 10.2381 10.2381 10.2723 10.2723 10.8524 10.8524 k = 0.2416 0.5594 0.5363 ( 4990 PWs) bands (ev): -13.0055 -13.0055 -13.0048 -13.0048 -11.0169 -11.0169 -11.0131 -11.0131 -10.2675 -10.2675 -10.2639 -10.2639 -3.3069 -3.3069 -3.2963 -3.2963 -2.7586 -2.7586 -2.7445 -2.7445 0.0676 0.0676 0.0813 0.0813 0.3176 0.3176 0.3443 0.3443 1.0106 1.0106 1.0431 1.0431 1.6857 1.6857 1.6944 1.6944 3.0905 3.0905 3.0956 3.0956 3.4768 3.4768 3.4850 3.4850 3.7741 3.7741 3.7802 3.7802 9.4404 9.4404 9.4594 9.4594 10.2576 10.2576 10.2919 10.2919 10.8357 10.8357 k = 0.2589 0.5594 0.5363 ( 4988 PWs) bands (ev): -13.0011 -13.0011 -13.0003 -13.0003 -11.0380 -11.0380 -11.0341 -11.0341 -10.2508 -10.2508 -10.2472 -10.2472 -3.3010 -3.3010 -3.2905 -3.2905 -2.7686 -2.7686 -2.7546 -2.7546 0.0838 0.0838 0.0989 0.0989 0.3033 0.3033 0.3288 0.3288 1.0262 1.0262 1.0581 1.0581 1.6778 1.6778 1.6862 1.6862 3.0982 3.0982 3.1030 3.1030 3.4933 3.4933 3.5017 3.5017 3.7439 3.7439 3.7503 3.7503 9.4288 9.4288 9.4470 9.4470 10.2764 10.2764 10.3104 10.3104 10.8208 10.8208 k = 0.2761 0.5594 0.5363 ( 4986 PWs) bands (ev): -12.9967 -12.9967 -12.9960 -12.9960 -11.0583 -11.0583 -11.0545 -11.0545 -10.2342 -10.2342 -10.2307 -10.2307 -3.3026 -3.3026 -3.2924 -3.2924 -2.7711 -2.7711 -2.7575 -2.7575 0.1001 0.1001 0.1170 0.1170 0.2897 0.2897 0.3142 0.3142 1.0399 1.0399 1.0713 1.0713 1.6715 1.6715 1.6794 1.6794 3.1031 3.1031 3.1076 3.1076 3.5116 3.5116 3.5199 3.5199 3.7145 3.7145 3.7212 3.7212 9.4178 9.4178 9.4352 9.4352 10.2940 10.2940 10.3272 10.3272 10.8085 10.8085 k = 0.2934 0.5594 0.5363 ( 4982 PWs) bands (ev): -12.9926 -12.9926 -12.9919 -12.9919 -11.0777 -11.0777 -11.0740 -11.0740 -10.2178 -10.2178 -10.2144 -10.2144 -3.3126 -3.3126 -3.3030 -3.3030 -2.7654 -2.7654 -2.7521 -2.7521 0.1162 0.1162 0.1349 0.1349 0.2774 0.2774 0.3009 0.3009 1.0514 1.0514 1.0823 1.0823 1.6669 1.6669 1.6743 1.6743 3.1051 3.1051 3.1093 3.1093 3.5308 3.5308 3.5391 3.5391 3.6868 3.6868 3.6936 3.6936 9.4072 9.4072 9.4241 9.4241 10.3095 10.3095 10.3415 10.3415 10.7998 10.7998 k = 0.3107 0.5594 0.5363 ( 4990 PWs) bands (ev): -12.9889 -12.9889 -12.9882 -12.9882 -11.0961 -11.0961 -11.0925 -11.0925 -10.2017 -10.2017 -10.1983 -10.1983 -3.3312 -3.3312 -3.3223 -3.3223 -2.7514 -2.7514 -2.7384 -2.7384 0.1310 0.1310 0.1519 0.1519 0.2670 0.2670 0.2898 0.2898 1.0606 1.0606 1.0908 1.0908 1.6644 1.6644 1.6713 1.6713 3.1044 3.1044 3.1085 3.1085 3.5494 3.5494 3.5574 3.5574 3.6626 3.6626 3.6693 3.6693 9.3969 9.3969 9.4135 9.4135 10.3222 10.3222 10.3528 10.3528 10.7955 10.7955 k = 0.3279 0.5594 0.5363 ( 4980 PWs) bands (ev): -12.9855 -12.9855 -12.9848 -12.9848 -11.1133 -11.1133 -11.1097 -11.1097 -10.1857 -10.1857 -10.1823 -10.1823 -3.3576 -3.3576 -3.3494 -3.3494 -2.7300 -2.7300 -2.7172 -2.7172 0.1431 0.1431 0.1661 0.1661 0.2603 0.2603 0.2826 0.2826 1.0669 1.0669 1.0965 1.0965 1.6639 1.6639 1.6704 1.6704 3.1014 3.1014 3.1052 3.1052 3.5630 3.5630 3.5700 3.5700 3.6469 3.6469 3.6524 3.6524 9.3868 9.3868 9.4033 9.4033 10.3311 10.3311 10.3603 10.3603 10.7965 10.7965 k = 0.3452 0.5594 0.5363 ( 4974 PWs) bands (ev): -12.9826 -12.9826 -12.9819 -12.9819 -11.1292 -11.1292 -11.1257 -11.1257 -10.1700 -10.1700 -10.1667 -10.1667 -3.3909 -3.3909 -3.3832 -3.3832 -2.7022 -2.7022 -2.6895 -2.6895 0.1504 0.1504 0.1744 0.1744 0.2599 0.2599 0.2816 0.2816 1.0702 1.0702 1.0992 1.0992 1.6658 1.6658 1.6721 1.6721 3.0962 3.0962 3.1000 3.1000 3.5631 3.5631 3.5690 3.5690 3.6472 3.6472 3.6516 3.6516 9.3768 9.3768 9.3932 9.3932 10.3353 10.3353 10.3634 10.3634 10.8032 10.8032 k = 0.3452 0.5594 0.5363 ( 4974 PWs) bands (ev): -12.9826 -12.9826 -12.9819 -12.9819 -11.1292 -11.1292 -11.1257 -11.1257 -10.1700 -10.1700 -10.1667 -10.1667 -3.3909 -3.3909 -3.3832 -3.3832 -2.7022 -2.7022 -2.6895 -2.6895 0.1504 0.1504 0.1744 0.1744 0.2599 0.2599 0.2816 0.2816 1.0702 1.0702 1.0992 1.0992 1.6658 1.6658 1.6721 1.6721 3.0962 3.0962 3.1000 3.1000 3.5631 3.5631 3.5690 3.5690 3.6472 3.6472 3.6516 3.6516 9.3768 9.3768 9.3932 9.3932 10.3353 10.3353 10.3634 10.3634 10.8032 10.8032 k = 0.3361 0.5447 0.5363 ( 4982 PWs) bands (ev): -12.9878 -12.9878 -12.9871 -12.9871 -11.0995 -11.0995 -11.0958 -11.0958 -10.2000 -10.2000 -10.1966 -10.1966 -3.3207 -3.3207 -3.3122 -3.3122 -2.7616 -2.7616 -2.7490 -2.7490 0.1424 0.1424 0.1662 0.1662 0.2525 0.2525 0.2762 0.2762 1.0663 1.0663 1.0964 1.0964 1.6610 1.6610 1.6672 1.6672 3.1071 3.1071 3.1111 3.1111 3.5793 3.5793 3.5859 3.5859 3.6311 3.6311 3.6353 3.6353 9.3946 9.3946 9.4109 9.4109 10.3316 10.3316 10.3610 10.3610 10.7936 10.7936 k = 0.3270 0.5300 0.5363 ( 4986 PWs) bands (ev): -12.9932 -12.9932 -12.9924 -12.9924 -11.0683 -11.0683 -11.0645 -11.0645 -10.2302 -10.2302 -10.2268 -10.2268 -3.2489 -3.2489 -3.2395 -3.2395 -2.8234 -2.8234 -2.8111 -2.8111 0.1347 0.1347 0.1582 0.1582 0.2447 0.2447 0.2704 0.2704 1.0610 1.0610 1.0921 1.0921 1.6581 1.6581 1.6643 1.6643 3.1168 3.1168 3.1209 3.1209 3.5952 3.5952 3.6033 3.6033 3.6179 3.6179 3.6206 3.6206 9.4093 9.4093 9.4255 9.4255 10.3264 10.3264 10.3569 10.3569 10.7890 10.7890 k = 0.3179 0.5153 0.5363 ( 4982 PWs) bands (ev): -12.9988 -12.9988 -12.9981 -12.9981 -11.0358 -11.0358 -11.0318 -11.0318 -10.2606 -10.2606 -10.2572 -10.2572 -3.1759 -3.1759 -3.1654 -3.1654 -2.8874 -2.8874 -2.8755 -2.8755 0.1269 0.1269 0.1500 0.1500 0.2367 0.2367 0.2642 0.2642 1.0546 1.0546 1.0865 1.0865 1.6574 1.6574 1.6636 1.6636 3.1252 3.1252 3.1293 3.1293 3.5988 3.5988 3.6067 3.6067 3.6193 3.6193 3.6225 3.6225 9.4205 9.4205 9.4364 9.4364 10.3191 10.3191 10.3505 10.3505 10.7900 10.7900 k = 0.3088 0.5005 0.5363 ( 4990 PWs) bands (ev): -13.0047 -13.0047 -13.0040 -13.0040 -11.0019 -11.0019 -10.9978 -10.9978 -10.2911 -10.2911 -10.2876 -10.2876 -3.1020 -3.1020 -3.0903 -3.0903 -2.9534 -2.9534 -2.9421 -2.9421 0.1189 0.1189 0.1416 0.1416 0.2284 0.2284 0.2578 0.2578 1.0473 1.0473 1.0798 1.0798 1.6590 1.6590 1.6651 1.6651 3.1322 3.1322 3.1364 3.1364 3.5893 3.5893 3.5955 3.5955 3.6363 3.6363 3.6414 3.6414 9.4279 9.4279 9.4433 9.4433 10.3090 10.3090 10.3413 10.3413 10.7969 10.7969 k = 0.2998 0.4858 0.5363 ( 4990 PWs) bands (ev): -13.0109 -13.0109 -13.0101 -13.0101 -10.9668 -10.9668 -10.9625 -10.9625 -10.3214 -10.3214 -10.3179 -10.3179 -3.0349 -3.0349 -3.0177 -3.0177 -3.0139 -3.0139 -3.0074 -3.0074 0.1106 0.1106 0.1329 0.1329 0.2198 0.2198 0.2510 0.2510 1.0393 1.0393 1.0724 1.0724 1.6630 1.6630 1.6691 1.6691 3.1378 3.1378 3.1420 3.1420 3.5802 3.5802 3.5859 3.5859 3.6553 3.6553 3.6610 3.6610 9.4314 9.4314 9.4462 9.4462 10.2958 10.2958 10.3286 10.3286 10.8098 10.8098 k = 0.2907 0.4711 0.5363 ( 4990 PWs) bands (ev): -13.0172 -13.0172 -13.0164 -13.0164 -10.9304 -10.9304 -10.9260 -10.9260 -10.3515 -10.3515 -10.3480 -10.3480 -3.0932 -3.0932 -3.0816 -3.0816 -2.9502 -2.9502 -2.9376 -2.9376 0.1019 0.1019 0.1235 0.1235 0.2110 0.2110 0.2439 0.2439 1.0309 1.0309 1.0644 1.0644 1.6695 1.6695 1.6755 1.6755 3.1420 3.1420 3.1463 3.1463 3.5728 3.5728 3.5781 3.5781 3.6750 3.6750 3.6810 3.6810 9.4310 9.4310 9.4452 9.4452 10.2788 10.2788 10.3121 10.3121 10.8286 10.8286 k = 0.2816 0.4564 0.5363 ( 4982 PWs) bands (ev): -13.0238 -13.0238 -13.0229 -13.0229 -10.8929 -10.8929 -10.8883 -10.8883 -10.3812 -10.3812 -10.3778 -10.3778 -3.1645 -3.1645 -3.1537 -3.1537 -2.8750 -2.8750 -2.8610 -2.8610 0.0924 0.0924 0.1135 0.1135 0.2021 0.2021 0.2367 0.2367 1.0225 1.0225 1.0563 1.0563 1.6786 1.6786 1.6846 1.6846 3.1448 3.1448 3.1491 3.1491 3.5671 3.5671 3.5722 3.5722 3.6951 3.6951 3.7013 3.7013 9.4269 9.4269 9.4405 9.4405 10.2580 10.2580 10.2917 10.2917 10.8530 10.8530 k = 0.2725 0.4417 0.5363 ( 4982 PWs) bands (ev): -13.0305 -13.0305 -13.0296 -13.0296 -10.8543 -10.8543 -10.8496 -10.8496 -10.4106 -10.4106 -10.4072 -10.4072 -3.2374 -3.2374 -3.2272 -3.2272 -2.7997 -2.7997 -2.7845 -2.7845 0.0820 0.0820 0.1025 0.1025 0.1931 0.1931 0.2293 0.2293 1.0143 1.0143 1.0482 1.0482 1.6902 1.6902 1.6962 1.6962 3.1463 3.1463 3.1507 3.1507 3.5633 3.5633 3.5681 3.5681 3.7153 3.7153 3.7218 3.7218 9.4195 9.4195 9.4324 9.4324 10.2332 10.2332 10.2670 10.2670 10.8826 10.8826 k = 0.2634 0.4269 0.5363 ( 4986 PWs) bands (ev): -13.0374 -13.0374 -13.0365 -13.0365 -10.8147 -10.8147 -10.8099 -10.8099 -10.4394 -10.4394 -10.4361 -10.4361 -3.3116 -3.3116 -3.3021 -3.3021 -2.7248 -2.7248 -2.7084 -2.7084 0.0706 0.0706 0.0905 0.0905 0.1841 0.1841 0.2218 0.2218 1.0067 1.0067 1.0406 1.0406 1.7043 1.7043 1.7104 1.7104 3.1465 3.1465 3.1509 3.1509 3.5613 3.5613 3.5658 3.5658 3.7355 3.7355 3.7422 3.7422 9.4092 9.4092 9.4213 9.4213 10.2043 10.2043 10.2382 10.2382 10.9167 10.9167 k = 0.2543 0.4122 0.5363 ( 4994 PWs) bands (ev): -13.0445 -13.0445 -13.0436 -13.0436 -10.7742 -10.7742 -10.7693 -10.7693 -10.4676 -10.4676 -10.4644 -10.4644 -3.3869 -3.3869 -3.3779 -3.3779 -2.6506 -2.6506 -2.6330 -2.6330 0.0581 0.0581 0.0773 0.0773 0.1753 0.1753 0.2144 0.2144 0.9998 0.9998 1.0336 1.0336 1.7210 1.7210 1.7271 1.7271 3.1456 3.1456 3.1500 3.1500 3.5610 3.5610 3.5652 3.5652 3.7555 3.7555 3.7625 3.7625 9.3963 9.3963 9.4078 9.4078 10.1715 10.1715 10.2053 10.2053 10.9548 10.9548 k = 0.2453 0.3975 0.5363 ( 4990 PWs) bands (ev): -13.0516 -13.0516 -13.0507 -13.0507 -10.7329 -10.7329 -10.7279 -10.7279 -10.4952 -10.4952 -10.4920 -10.4920 -3.4629 -3.4629 -3.4546 -3.4546 -2.5773 -2.5773 -2.5586 -2.5586 0.0444 0.0444 0.0628 0.0628 0.1666 0.1666 0.2070 0.2070 0.9941 0.9941 1.0276 1.0276 1.7401 1.7401 1.7463 1.7463 3.1436 3.1436 3.1480 3.1480 3.5623 3.5623 3.5661 3.5661 3.7753 3.7753 3.7826 3.7826 9.3815 9.3815 9.3924 9.3924 10.1351 10.1351 10.1687 10.1687 10.9959 10.9959 k = 0.2362 0.3828 0.5363 ( 4994 PWs) bands (ev): -13.0589 -13.0589 -13.0580 -13.0580 -10.6908 -10.6908 -10.6858 -10.6858 -10.5220 -10.5220 -10.5189 -10.5189 -3.5396 -3.5396 -3.5319 -3.5319 -2.5053 -2.5053 -2.4855 -2.4855 0.0294 0.0294 0.0470 0.0470 0.1582 0.1582 0.1999 0.1999 0.9896 0.9896 1.0227 1.0227 1.7615 1.7615 1.7678 1.7678 3.1406 3.1406 3.1450 3.1450 3.5651 3.5651 3.5686 3.5686 3.7947 3.7947 3.8022 3.8022 9.3650 9.3650 9.3754 9.3754 10.0954 10.0954 10.1288 10.1288 11.0393 11.0393 k = 0.2271 0.3680 0.5363 ( 4998 PWs) bands (ev): -13.0662 -13.0662 -13.0653 -13.0653 -10.6483 -10.6483 -10.6431 -10.6431 -10.5479 -10.5479 -10.5450 -10.5450 -3.6167 -3.6167 -3.6096 -3.6096 -2.4348 -2.4348 -2.4138 -2.4138 0.0131 0.0131 0.0300 0.0300 0.1502 0.1502 0.1931 0.1931 0.9865 0.9865 1.0191 1.0191 1.7851 1.7851 1.7915 1.7915 3.1368 3.1368 3.1412 3.1412 3.5692 3.5692 3.5724 3.5724 3.8136 3.8136 3.8213 3.8213 9.3473 9.3473 9.3572 9.3572 10.0528 10.0528 10.0858 10.0858 11.0839 11.0839 k = 0.2180 0.3533 0.5363 ( 4998 PWs) bands (ev): -13.0736 -13.0736 -13.0727 -13.0727 -10.6056 -10.6056 -10.6001 -10.6001 -10.5726 -10.5726 -10.5701 -10.5701 -3.6939 -3.6939 -3.6874 -3.6874 -2.3660 -2.3660 -2.3439 -2.3439 -0.0045 -0.0045 0.0117 0.0117 0.1428 0.1428 0.1867 0.1867 0.9849 0.9849 1.0169 1.0169 1.8106 1.8106 1.8171 1.8171 3.1323 3.1323 3.1367 3.1367 3.5746 3.5746 3.5774 3.5774 3.8319 3.8319 3.8398 3.8398 9.3288 9.3288 9.3381 9.3381 10.0078 10.0078 10.0403 10.0403 11.1289 11.1289 k = 0.2089 0.3386 0.5363 ( 4998 PWs) bands (ev): -13.0810 -13.0810 -13.0801 -13.0801 -10.5983 -10.5983 -10.5949 -10.5949 -10.5606 -10.5606 -10.5560 -10.5560 -3.7710 -3.7710 -3.7652 -3.7652 -2.2991 -2.2991 -2.2761 -2.2761 -0.0231 -0.0231 -0.0078 -0.0078 0.1360 0.1360 0.1808 0.1808 0.9849 0.9849 1.0161 1.0161 1.8378 1.8378 1.8445 1.8445 3.1274 3.1274 3.1318 3.1318 3.5811 3.5811 3.5835 3.5835 3.8495 3.8495 3.8576 3.8576 9.3096 9.3096 9.3185 9.3185 9.9609 9.9609 9.9928 9.9928 11.1733 11.1733 k = 0.1998 0.3239 0.5363 ( 5002 PWs) bands (ev): -13.0884 -13.0884 -13.0875 -13.0875 -10.6212 -10.6212 -10.6183 -10.6183 -10.5172 -10.5172 -10.5123 -10.5123 -3.8479 -3.8479 -3.8426 -3.8426 -2.2344 -2.2344 -2.2105 -2.2105 -0.0428 -0.0428 -0.0283 -0.0283 0.1300 0.1300 0.1755 0.1755 0.9865 0.9865 1.0168 1.0168 1.8665 1.8665 1.8733 1.8733 3.1221 3.1221 3.1265 3.1265 3.5885 3.5885 3.5906 3.5906 3.8663 3.8663 3.8747 3.8747 9.2899 9.2899 9.2984 9.2984 9.9124 9.9124 9.9436 9.9436 11.2161 11.2161 k = 0.1908 0.3092 0.5363 ( 5006 PWs) bands (ev): -13.0958 -13.0958 -13.0948 -13.0948 -10.6436 -10.6436 -10.6408 -10.6408 -10.4733 -10.4733 -10.4684 -10.4684 -3.9241 -3.9241 -3.9194 -3.9194 -2.1720 -2.1720 -2.1473 -2.1473 -0.0634 -0.0634 -0.0496 -0.0496 0.1249 0.1249 0.1709 0.1709 0.9895 0.9895 1.0188 1.0188 1.8963 1.8963 1.9032 1.9032 3.1168 3.1168 3.1213 3.1213 3.5967 3.5967 3.5984 3.5984 3.8823 3.8823 3.8908 3.8908 9.2699 9.2699 9.2781 9.2781 9.8629 9.8629 9.8933 9.8933 11.2561 11.2561 k = 0.1817 0.2944 0.5363 ( 5006 PWs) bands (ev): -13.1030 -13.1030 -13.1021 -13.1021 -10.6649 -10.6649 -10.6623 -10.6623 -10.4295 -10.4295 -10.4245 -10.4245 -3.9996 -3.9996 -3.9954 -3.9954 -2.1122 -2.1122 -2.0868 -2.0868 -0.0847 -0.0847 -0.0716 -0.0716 0.1207 0.1207 0.1670 0.1670 0.9938 0.9938 1.0222 1.0222 1.9268 1.9268 1.9338 1.9338 3.1117 3.1117 3.1162 3.1162 3.6056 3.6056 3.6070 3.6070 3.8973 3.8973 3.9060 3.9060 9.2498 9.2498 9.2575 9.2575 9.8128 9.8128 9.8424 9.8424 11.2924 11.2924 k = 0.1726 0.2797 0.5363 ( 5010 PWs) bands (ev): -13.1102 -13.1102 -13.1093 -13.1093 -10.6853 -10.6853 -10.6828 -10.6828 -10.3858 -10.3858 -10.3809 -10.3809 -4.0740 -4.0740 -4.0703 -4.0703 -2.0550 -2.0550 -2.0292 -2.0292 -0.1064 -0.1064 -0.0940 -0.0940 0.1176 0.1176 0.1640 0.1640 0.9994 0.9994 1.0267 1.0267 1.9577 1.9577 1.9647 1.9647 3.1070 3.1070 3.1115 3.1115 3.6150 3.6150 3.6161 3.6161 3.9114 3.9114 3.9203 3.9203 9.2294 9.2294 9.2369 9.2369 9.7625 9.7625 9.7912 9.7912 11.3242 11.3242 k = 0.1635 0.2650 0.5363 ( 5006 PWs) bands (ev): -13.1173 -13.1173 -13.1164 -13.1164 -10.7047 -10.7047 -10.7023 -10.7023 -10.3425 -10.3425 -10.3376 -10.3376 -4.1471 -4.1471 -4.1438 -4.1438 -2.0007 -2.0007 -1.9745 -1.9745 -0.1284 -0.1284 -0.1167 -0.1167 0.1155 0.1155 0.1617 0.1617 1.0061 1.0061 1.0322 1.0322 1.9886 1.9886 1.9956 1.9956 3.1030 3.1030 3.1077 3.1077 3.6248 3.6248 3.6256 3.6256 3.9245 3.9245 3.9335 3.9335 9.2089 9.2089 9.2161 9.2161 9.7124 9.7124 9.7401 9.7401 11.3508 11.3508 k = 0.1544 0.2503 0.5363 ( 5006 PWs) bands (ev): -13.1242 -13.1242 -13.1233 -13.1233 -10.7230 -10.7230 -10.7208 -10.7208 -10.2997 -10.2997 -10.2949 -10.2949 -4.2185 -4.2185 -4.2157 -4.2157 -1.9493 -1.9493 -1.9229 -1.9229 -0.1504 -0.1504 -0.1395 -0.1395 0.1146 0.1146 0.1603 0.1603 1.0138 1.0138 1.0386 1.0386 2.0190 2.0190 2.0258 2.0258 3.1000 3.1000 3.1048 3.1048 3.6348 3.6348 3.6354 3.6354 3.9365 3.9365 3.9456 3.9456 9.1882 9.1882 9.1951 9.1951 9.6630 9.6630 9.6896 9.6896 11.3721 11.3721 k = 0.1453 0.2355 0.5363 ( 5008 PWs) bands (ev): -13.1309 -13.1309 -13.1300 -13.1300 -10.7403 -10.7403 -10.7382 -10.7382 -10.2576 -10.2576 -10.2530 -10.2530 -4.2881 -4.2881 -4.2857 -4.2857 -1.9008 -1.9008 -1.8745 -1.8745 -0.1723 -0.1723 -0.1620 -0.1620 0.1147 0.1147 0.1598 0.1598 1.0221 1.0221 1.0457 1.0457 2.0484 2.0484 2.0550 2.0550 3.0983 3.0983 3.1033 3.1033 3.6450 3.6450 3.6454 3.6454 3.9475 3.9475 3.9567 3.9567 9.1673 9.1673 9.1740 9.1740 9.6145 9.6145 9.6399 9.6399 11.3885 11.3885 k = 0.1363 0.2208 0.5363 ( 4994 PWs) bands (ev): -13.1373 -13.1373 -13.1365 -13.1365 -10.7565 -10.7565 -10.7545 -10.7545 -10.2165 -10.2165 -10.2120 -10.2120 -4.3555 -4.3555 -4.3535 -4.3535 -1.8555 -1.8555 -1.8293 -1.8293 -0.1938 -0.1938 -0.1841 -0.1841 0.1160 0.1160 0.1600 0.1600 1.0311 1.0311 1.0534 1.0534 2.0764 2.0764 2.0828 2.0828 3.0980 3.0980 3.1032 3.1032 3.6552 3.6552 3.6554 3.6554 3.9575 3.9575 3.9667 3.9667 9.1464 9.1464 9.1528 9.1528 9.5673 9.5673 9.5915 9.5915 11.4007 11.4007 k = 0.1272 0.2061 0.5363 ( 4982 PWs) bands (ev): -13.1435 -13.1435 -13.1428 -13.1428 -10.7717 -10.7717 -10.7698 -10.7698 -10.1766 -10.1766 -10.1722 -10.1722 -4.4204 -4.4204 -4.4188 -4.4188 -1.8132 -1.8132 -1.7875 -1.7875 -0.2147 -0.2147 -0.2057 -0.2057 0.1183 0.1183 0.1611 0.1611 1.0404 1.0404 1.0614 1.0614 2.1026 2.1026 2.1087 2.1087 3.0996 3.0996 3.1050 3.1050 3.6653 3.6653 3.6654 3.6654 3.9664 3.9664 3.9756 3.9756 9.1253 9.1253 9.1314 9.1314 9.5217 9.5217 9.5447 9.5447 11.4097 11.4097 k = 0.1181 0.1914 0.5363 ( 4978 PWs) bands (ev): -13.1495 -13.1495 -13.1487 -13.1487 -10.7858 -10.7858 -10.7840 -10.7840 -10.1379 -10.1379 -10.1337 -10.1337 -4.4827 -4.4827 -4.4813 -4.4813 -1.7741 -1.7741 -1.7490 -1.7490 -0.2349 -0.2349 -0.2266 -0.2266 0.1216 0.1216 0.1628 0.1628 1.0500 1.0500 1.0695 1.0695 2.1267 2.1267 2.1323 2.1323 3.1030 3.1030 3.1086 3.1086 3.6751 3.6751 3.6753 3.6753 3.9742 3.9742 3.9834 3.9834 9.1042 9.1042 9.1101 9.1101 9.4781 9.4781 9.4997 9.4997 11.4168 11.4168 k = 0.1090 0.1767 0.5363 ( 4974 PWs) bands (ev): -13.1551 -13.1551 -13.1544 -13.1544 -10.7988 -10.7988 -10.7972 -10.7972 -10.1009 -10.1009 -10.0969 -10.0969 -4.5418 -4.5418 -4.5408 -4.5408 -1.7380 -1.7380 -1.7139 -1.7139 -0.2541 -0.2541 -0.2465 -0.2465 0.1257 0.1257 0.1651 0.1651 1.0596 1.0596 1.0778 1.0778 2.1483 2.1483 2.1535 2.1535 3.1084 3.1084 3.1142 3.1142 3.6846 3.6846 3.6849 3.6849 3.9811 3.9811 3.9901 3.9901 9.0832 9.0832 9.0888 9.0888 9.4366 9.4366 9.4568 9.4568 11.4230 11.4230 k = 0.0999 0.1619 0.5363 ( 4974 PWs) bands (ev): -13.1603 -13.1603 -13.1597 -13.1597 -10.8108 -10.8108 -10.8093 -10.8093 -10.0657 -10.0657 -10.0619 -10.0619 -4.5976 -4.5976 -4.5968 -4.5968 -1.7051 -1.7051 -1.6821 -1.6821 -0.2723 -0.2723 -0.2653 -0.2653 0.1306 0.1306 0.1678 0.1678 1.0692 1.0692 1.0859 1.0859 2.1672 2.1672 2.1719 2.1719 3.1156 3.1156 3.1216 3.1216 3.6937 3.6937 3.6941 3.6941 3.9870 3.9870 3.9958 3.9958 9.0624 9.0624 9.0677 9.0677 9.3976 9.3976 9.4164 9.4164 11.4293 11.4293 k = 0.0908 0.1472 0.5363 ( 4978 PWs) bands (ev): -13.1652 -13.1652 -13.1647 -13.1647 -10.8217 -10.8217 -10.8203 -10.8203 -10.0325 -10.0325 -10.0290 -10.0290 -4.6498 -4.6498 -4.6492 -4.6492 -1.6752 -1.6752 -1.6535 -1.6535 -0.2894 -0.2894 -0.2830 -0.2830 0.1362 0.1362 0.1709 0.1709 1.0785 1.0785 1.0937 1.0937 2.1835 2.1835 2.1876 2.1876 3.1246 3.1246 3.1307 3.1307 3.7024 3.7024 3.7029 3.7029 3.9920 3.9920 4.0005 4.0005 9.0421 9.0421 9.0471 9.0471 9.3612 9.3612 9.3785 9.3785 11.4362 11.4362 k = 0.0818 0.1325 0.5363 ( 4972 PWs) bands (ev): -13.1697 -13.1697 -13.1692 -13.1692 -10.8315 -10.8315 -10.8303 -10.8303 -10.0016 -10.0016 -9.9983 -9.9983 -4.6981 -4.6981 -4.6977 -4.6977 -1.6483 -1.6483 -1.6282 -1.6282 -0.3050 -0.3050 -0.2993 -0.2993 0.1421 0.1421 0.1742 0.1742 1.0873 1.0873 1.1011 1.1011 2.1971 2.1971 2.2007 2.2007 3.1350 3.1350 3.1411 3.1411 3.7105 3.7105 3.7111 3.7111 3.9962 3.9962 4.0043 4.0043 9.0226 9.0226 9.0272 9.0272 9.3277 9.3277 9.3435 9.3435 11.4441 11.4441 k = 0.0727 0.1178 0.5363 ( 4976 PWs) bands (ev): -13.1738 -13.1738 -13.1734 -13.1734 -10.8403 -10.8403 -10.8392 -10.8392 -9.9732 -9.9732 -9.9702 -9.9702 -4.7422 -4.7422 -4.7419 -4.7419 -1.6244 -1.6244 -1.6060 -1.6060 -0.3193 -0.3193 -0.3142 -0.3142 0.1483 0.1483 0.1775 0.1775 1.0957 1.0957 1.1080 1.1080 2.2082 2.2082 2.2112 2.2112 3.1464 3.1464 3.1524 3.1524 3.7180 3.7180 3.7186 3.7186 3.9996 3.9996 4.0072 4.0072 9.0039 9.0039 9.0081 9.0081 9.2973 9.2973 9.3115 9.3115 11.4529 11.4529 k = 0.0636 0.1031 0.5363 ( 4976 PWs) bands (ev): -13.1775 -13.1775 -13.1771 -13.1771 -10.8480 -10.8480 -10.8471 -10.8471 -9.9475 -9.9475 -9.9448 -9.9448 -4.7818 -4.7818 -4.7816 -4.7816 -1.6033 -1.6033 -1.5868 -1.5868 -0.3321 -0.3321 -0.3276 -0.3276 0.1547 0.1547 0.1807 0.1807 1.1035 1.1035 1.1143 1.1143 2.2170 2.2170 2.2195 2.2195 3.1584 3.1584 3.1641 3.1641 3.7248 3.7248 3.7254 3.7254 4.0023 4.0023 4.0093 4.0093 8.9866 8.9866 8.9904 8.9904 9.2702 9.2702 9.2827 9.2827 11.4626 11.4626 k = 0.0545 0.0883 0.5363 ( 4984 PWs) bands (ev): -13.1807 -13.1807 -13.1803 -13.1803 -10.8547 -10.8547 -10.8539 -10.8539 -9.9247 -9.9247 -9.9224 -9.9224 -4.8167 -4.8167 -4.8166 -4.8166 -1.5850 -1.5850 -1.5706 -1.5706 -0.3433 -0.3433 -0.3394 -0.3394 0.1609 0.1609 0.1835 0.1835 1.1105 1.1105 1.1198 1.1198 2.2238 2.2238 2.2258 2.2258 3.1704 3.1704 3.1757 3.1757 3.7309 3.7309 3.7314 3.7314 4.0045 4.0045 4.0107 4.0107 8.9708 8.9708 8.9742 8.9742 9.2465 9.2465 9.2573 9.2573 11.4727 11.4728 k = 0.0454 0.0736 0.5363 ( 4972 PWs) bands (ev): -13.1834 -13.1834 -13.1831 -13.1831 -10.8603 -10.8603 -10.8597 -10.8597 -9.9050 -9.9050 -9.9031 -9.9031 -4.8467 -4.8467 -4.8466 -4.8466 -1.5695 -1.5695 -1.5573 -1.5573 -0.3528 -0.3528 -0.3496 -0.3496 0.1668 0.1668 0.1860 0.1860 1.1168 1.1168 1.1245 1.1245 2.2288 2.2288 2.2305 2.2305 3.1819 3.1819 3.1865 3.1865 3.7361 3.7361 3.7365 3.7365 4.0062 4.0062 4.0116 4.0116 8.9570 8.9570 8.9598 8.9598 9.2264 9.2264 9.2354 9.2354 11.4828 11.4829 k = 0.0363 0.0589 0.5363 ( 4990 PWs) bands (ev): -13.1857 -13.1857 -13.1854 -13.1854 -10.8649 -10.8649 -10.8644 -10.8644 -9.8886 -9.8886 -9.8870 -9.8870 -4.8715 -4.8715 -4.8715 -4.8715 -1.5567 -1.5567 -1.5468 -1.5468 -0.3606 -0.3606 -0.3580 -0.3580 0.1723 0.1723 0.1878 0.1878 1.1221 1.1221 1.1283 1.1283 2.2325 2.2325 2.2337 2.2337 3.1922 3.1922 3.1962 3.1962 3.7405 3.7405 3.7408 3.7408 4.0075 4.0075 4.0120 4.0120 8.9452 8.9452 8.9475 8.9475 9.2099 9.2099 9.2171 9.2171 11.4923 11.4923 k = 0.0273 0.0442 0.5363 ( 4986 PWs) bands (ev): -13.1875 -13.1875 -13.1873 -13.1873 -10.8685 -10.8685 -10.8681 -10.8681 -9.8757 -9.8757 -9.8745 -9.8745 -4.8910 -4.8910 -4.8910 -4.8910 -1.5464 -1.5464 -1.5389 -1.5389 -0.3666 -0.3666 -0.3647 -0.3647 0.1771 0.1771 0.1889 0.1889 1.1265 1.1265 1.1312 1.1312 2.2351 2.2351 2.2359 2.2359 3.2010 3.2010 3.2041 3.2041 3.7439 3.7439 3.7442 3.7442 4.0086 4.0086 4.0120 4.0120 8.9359 8.9359 8.9376 8.9376 9.1972 9.1972 9.2026 9.2026 11.5005 11.5006 k = 0.0182 0.0294 0.5363 ( 4986 PWs) bands (ev): -13.1887 -13.1887 -13.1886 -13.1886 -10.8710 -10.8710 -10.8707 -10.8707 -9.8663 -9.8663 -9.8655 -9.8655 -4.9050 -4.9050 -4.9050 -4.9050 -1.5388 -1.5388 -1.5338 -1.5338 -0.3708 -0.3708 -0.3696 -0.3696 0.1813 0.1813 0.1892 0.1892 1.1299 1.1299 1.1330 1.1330 2.2367 2.2367 2.2373 2.2373 3.2078 3.2078 3.2099 3.2099 3.7464 3.7464 3.7466 3.7466 4.0094 4.0094 4.0118 4.0118 8.9291 8.9291 8.9303 8.9303 9.1883 9.1883 9.1920 9.1920 11.5069 11.5072 k = 0.0091 0.0147 0.5363 ( 4990 PWs) bands (ev): -13.1894 -13.1894 -13.1894 -13.1894 -10.8725 -10.8725 -10.8724 -10.8724 -9.8605 -9.8605 -9.8601 -9.8601 -4.9135 -4.9135 -4.9135 -4.9135 -1.5337 -1.5337 -1.5312 -1.5312 -0.3733 -0.3733 -0.3726 -0.3726 0.1846 0.1846 0.1886 0.1886 1.1323 1.1323 1.1338 1.1338 2.2377 2.2377 2.2380 2.2380 3.2122 3.2122 3.2133 3.2133 3.7479 3.7479 3.7480 3.7480 4.0102 4.0102 4.0113 4.0113 8.9252 8.9252 8.9257 8.9257 9.1833 9.1833 9.1852 9.1852 11.5110 11.5110 k = 0.0000 0.0000 0.5363 ( 5002 PWs) bands (ev): -13.1897 -13.1897 -13.1897 -13.1897 -10.8729 -10.8729 -10.8729 -10.8729 -9.8585 -9.8585 -9.8585 -9.8585 -4.9163 -4.9163 -4.9163 -4.9163 -1.5312 -1.5312 -1.5312 -1.5312 -0.3739 -0.3739 -0.3739 -0.3739 0.1871 0.1871 0.1871 0.1871 1.1336 1.1336 1.1336 1.1336 2.2381 2.2381 2.2381 2.2381 3.2140 3.2140 3.2140 3.2140 3.7485 3.7485 3.7485 3.7485 4.0108 4.0108 4.0108 4.0108 8.9240 8.9240 8.9240 8.9240 9.1823 9.1823 9.1823 9.1823 11.5125 11.5125 k = 0.0000 0.0000 0.5363 ( 5002 PWs) bands (ev): -13.1897 -13.1897 -13.1897 -13.1897 -10.8729 -10.8729 -10.8729 -10.8729 -9.8585 -9.8585 -9.8585 -9.8585 -4.9163 -4.9163 -4.9163 -4.9163 -1.5312 -1.5312 -1.5312 -1.5312 -0.3739 -0.3739 -0.3739 -0.3739 0.1871 0.1871 0.1871 0.1871 1.1336 1.1336 1.1336 1.1336 2.2381 2.2381 2.2381 2.2381 3.2140 3.2140 3.2140 3.2140 3.7485 3.7485 3.7485 3.7485 4.0108 4.0108 4.0108 4.0108 8.9240 8.9240 8.9240 8.9240 9.1823 9.1823 9.1823 9.1823 11.5125 11.5125 k = 0.0000 0.0000 0.5190 ( 5001 PWs) bands (ev): -13.2088 -13.2088 -13.1709 -13.1709 -10.9104 -10.9104 -10.8340 -10.8340 -9.8593 -9.8593 -9.8582 -9.8582 -4.9186 -4.9186 -4.9106 -4.9106 -1.6662 -1.6662 -1.3982 -1.3982 -0.4110 -0.4110 -0.3375 -0.3375 0.1480 0.1480 0.2289 0.2289 1.1193 1.1193 1.1414 1.1414 2.2315 2.2315 2.2465 2.2465 3.2046 3.2046 3.2237 3.2237 3.7419 3.7419 3.7549 3.7549 3.9989 3.9989 4.0207 4.0207 8.8936 8.8936 8.9516 8.9516 9.1835 9.1835 9.1924 9.1924 11.4836 11.4836 k = 0.0000 0.0000 0.5017 ( 4989 PWs) bands (ev): -13.2281 -13.2281 -13.1525 -13.1525 -10.9462 -10.9462 -10.7935 -10.7935 -9.8607 -9.8607 -9.8585 -9.8585 -4.9175 -4.9175 -4.9015 -4.9015 -1.8026 -1.8026 -1.2683 -1.2683 -0.4486 -0.4486 -0.3021 -0.3021 0.1126 0.1126 0.2730 0.2730 1.0989 1.0989 1.1425 1.1425 2.2265 2.2265 2.2566 2.2566 3.1955 3.1955 3.2336 3.2336 3.7351 3.7351 3.7609 3.7609 3.9849 3.9849 4.0284 4.0284 8.8602 8.8602 8.9768 8.9768 9.1962 9.1962 9.2140 9.2140 11.4502 11.4502 k = 0.0000 0.0000 0.4844 ( 4999 PWs) bands (ev): -13.2477 -13.2477 -13.1345 -13.1345 -10.9805 -10.9805 -10.7515 -10.7515 -9.8627 -9.8627 -9.8594 -9.8594 -4.9130 -4.9130 -4.8890 -4.8890 -1.9397 -1.9397 -1.1427 -1.1427 -0.4866 -0.4866 -0.2680 -0.2680 0.0819 0.0819 0.3190 0.3190 1.0727 1.0727 1.1370 1.1370 2.2232 2.2232 2.2685 2.2685 3.1868 3.1868 3.2435 3.2435 3.7284 3.7284 3.7666 3.7666 3.9691 3.9691 4.0340 4.0340 8.8235 8.8235 8.9996 8.9996 9.2199 9.2199 9.2468 9.2468 11.4125 11.4125 k = 0.0000 0.0000 0.4671 ( 4997 PWs) bands (ev): -13.2674 -13.2674 -13.1171 -13.1171 -11.0133 -11.0133 -10.7082 -10.7082 -9.8653 -9.8653 -9.8609 -9.8609 -4.9052 -4.9052 -4.8731 -4.8731 -2.0770 -2.0770 -1.0233 -1.0233 -0.5247 -0.5247 -0.2355 -0.2355 0.0573 0.0573 0.3663 0.3663 1.0413 1.0413 1.1247 1.1247 2.2215 2.2215 2.2821 2.2821 3.1788 3.1788 3.2533 3.2533 3.7218 3.7218 3.7718 3.7718 3.9516 3.9516 4.0374 4.0374 8.7833 8.7833 9.0205 9.0205 9.2546 9.2546 9.2905 9.2905 11.3709 11.3709 k = 0.0000 0.0000 0.4498 ( 4993 PWs) bands (ev): -13.2872 -13.2872 -13.1001 -13.1001 -11.0444 -11.0444 -10.6635 -10.6635 -9.8683 -9.8683 -9.8629 -9.8629 -4.8942 -4.8942 -4.8539 -4.8539 -2.2140 -2.2140 -0.9126 -0.9126 -0.5628 -0.5628 -0.2050 -0.2050 0.0412 0.0412 0.4149 0.4149 1.0054 1.0054 1.1060 1.1060 2.2214 2.2214 2.2975 2.2975 3.1714 3.1714 3.2629 3.2629 3.7156 3.7156 3.7766 3.7766 3.9324 3.9324 4.0387 4.0387 8.7394 8.7394 9.0394 9.0394 9.2997 9.2997 9.3449 9.3449 11.3260 11.3260 k = 0.0000 0.0000 0.4325 ( 4993 PWs) bands (ev): -13.3069 -13.3069 -13.0836 -13.0836 -11.0740 -11.0740 -10.6175 -10.6175 -9.8719 -9.8719 -9.8655 -9.8655 -4.8800 -4.8800 -4.8315 -4.8315 -2.3504 -2.3504 -0.8142 -0.8142 -0.6004 -0.6004 -0.1768 -0.1768 0.0363 0.0363 0.4644 0.4644 0.9657 0.9657 1.0811 1.0811 2.2227 2.2227 2.3146 2.3146 3.1649 3.1649 3.2722 3.2722 3.7097 3.7097 3.7810 3.7810 3.9119 3.9119 4.0379 4.0379 8.6918 8.6918 9.0567 9.0567 9.3546 9.3546 9.4095 9.4095 11.2783 11.2783 k = 0.0000 0.0000 0.4152 ( 4997 PWs) bands (ev): -13.3266 -13.3266 -13.0678 -13.0678 -11.1021 -11.1021 -10.5704 -10.5704 -9.8759 -9.8759 -9.8685 -9.8685 -4.8629 -4.8629 -4.8060 -4.8060 -2.4858 -2.4858 -0.7331 -0.7331 -0.6363 -0.6363 -0.1515 -0.1515 0.0462 0.0462 0.5146 0.5146 0.9233 0.9233 1.0503 1.0503 2.2254 2.2254 2.3332 2.3332 3.1593 3.1593 3.2811 3.2811 3.7044 3.7044 3.7851 3.7851 3.8902 3.8902 4.0350 4.0350 8.6403 8.6403 9.0725 9.0725 9.4188 9.4188 9.4838 9.4838 11.2283 11.2283 k = 0.0000 0.0000 0.3979 ( 5003 PWs) bands (ev): -13.3462 -13.3462 -13.0525 -13.0525 -11.1287 -11.1287 -10.5222 -10.5222 -9.8803 -9.8803 -9.8719 -9.8719 -4.8428 -4.8428 -4.7775 -4.7775 -2.6197 -2.6197 -0.6923 -0.6923 -0.6511 -0.6511 -0.1298 -0.1298 0.0742 0.0742 0.5652 0.5652 0.8794 0.8794 1.0140 1.0140 2.2294 2.2294 2.3534 2.3534 3.1548 3.1548 3.2893 3.2893 3.6996 3.6996 3.7888 3.7888 3.8675 3.8675 4.0302 4.0302 8.5850 8.5850 9.0870 9.0870 9.4914 9.4914 9.5672 9.5672 11.1764 11.1764 k = 0.0000 0.0000 0.3806 ( 4999 PWs) bands (ev): -13.3655 -13.3655 -13.0379 -13.0379 -11.1538 -11.1538 -10.4731 -10.4731 -9.8851 -9.8851 -9.8757 -9.8757 -4.8201 -4.8201 -4.7462 -4.7462 -2.7520 -2.7520 -0.7199 -0.7199 -0.6180 -0.6180 -0.1128 -0.1128 0.1218 0.1218 0.6160 0.6160 0.8354 0.8354 0.9729 0.9729 2.2346 2.2346 2.3749 2.3749 3.1517 3.1517 3.2967 3.2967 3.6955 3.6955 3.7922 3.7922 3.8442 3.8442 4.0235 4.0235 8.5260 8.5260 9.1002 9.1002 9.5715 9.5715 9.6591 9.6591 11.1230 11.1230 k = 0.0000 0.0000 0.3633 ( 4995 PWs) bands (ev): -13.3846 -13.3846 -13.0240 -13.0240 -11.1774 -11.1774 -10.4232 -10.4232 -9.8902 -9.8902 -9.8799 -9.8799 -4.7948 -4.7948 -4.7121 -4.7121 -2.8822 -2.8822 -0.7558 -0.7558 -0.5956 -0.5956 -0.1019 -0.1019 0.1872 0.1872 0.6665 0.6665 0.7931 0.7931 0.9275 0.9275 2.2408 2.2408 2.3977 2.3977 3.1499 3.1499 3.3031 3.3031 3.6921 3.6921 3.7953 3.7953 3.8207 3.8207 4.0152 4.0152 8.4635 8.4635 9.1124 9.1124 9.6581 9.6581 9.7589 9.7589 11.0685 11.0685 k = 0.0000 0.0000 0.3460 ( 4999 PWs) bands (ev): -13.4033 -13.4033 -13.0107 -13.0107 -11.1996 -11.1996 -10.3728 -10.3728 -9.8956 -9.8956 -9.8844 -9.8844 -4.7672 -4.7672 -4.6756 -4.6756 -3.0100 -3.0100 -0.7923 -0.7923 -0.5876 -0.5876 -0.0985 -0.0985 0.2662 0.2662 0.7136 0.7136 0.7568 0.7568 0.8786 0.8786 2.2481 2.2481 2.4215 2.4215 3.1498 3.1498 3.3082 3.3082 3.6894 3.6894 3.7941 3.7941 3.8015 3.8015 4.0054 4.0054 8.3976 8.3976 9.1236 9.1236 9.7499 9.7499 9.8659 9.8659 11.0131 11.0131 k = 0.0000 0.0000 0.3287 ( 4999 PWs) bands (ev): -13.4216 -13.4216 -12.9980 -12.9980 -11.2205 -11.2205 -10.3219 -10.3219 -9.9012 -9.9012 -9.8891 -9.8891 -4.7374 -4.7374 -4.6368 -4.6368 -3.1351 -3.1351 -0.8285 -0.8285 -0.5901 -0.5901 -0.1036 -0.1036 0.3540 0.3540 0.7121 0.7121 0.7723 0.7723 0.8279 0.8279 2.2562 2.2562 2.4460 2.4460 3.1515 3.1515 3.3118 3.3118 3.6873 3.6873 3.7729 3.7729 3.8027 3.8027 3.9943 3.9943 8.3286 8.3286 9.1339 9.1339 9.8457 9.8457 9.9793 9.9793 10.9572 10.9572 k = 0.0000 0.0000 0.3114 ( 5007 PWs) bands (ev): -13.4394 -13.4394 -12.9861 -12.9861 -11.2400 -11.2400 -10.2708 -10.2708 -9.9069 -9.9069 -9.8940 -9.8940 -4.7058 -4.7058 -4.5959 -4.5959 -3.2572 -3.2572 -0.8643 -0.8643 -0.5997 -0.5997 -0.1181 -0.1181 0.4464 0.4464 0.6847 0.6847 0.7684 0.7684 0.8261 0.8261 2.2651 2.2651 2.4709 2.4709 3.1552 3.1552 3.3136 3.3136 3.6857 3.6857 3.7508 3.7508 3.8058 3.8058 3.9821 3.9821 8.2571 8.2571 9.1435 9.1435 9.9436 9.9436 10.0985 10.0985 10.9011 10.9011 k = 0.0000 0.0000 0.2941 ( 5005 PWs) bands (ev): -13.4566 -13.4566 -12.9748 -12.9748 -11.2582 -11.2582 -10.2198 -10.2198 -9.9127 -9.9127 -9.8991 -9.8991 -4.6726 -4.6726 -4.5533 -4.5533 -3.3760 -3.3760 -0.8997 -0.8997 -0.6137 -0.6137 -0.1421 -0.1421 0.5396 0.5396 0.6627 0.6627 0.7145 0.7145 0.8742 0.8742 2.2745 2.2745 2.4960 2.4960 3.1611 3.1611 3.3132 3.3132 3.6846 3.6846 3.7300 3.7300 3.8092 3.8092 3.9693 3.9693 8.1833 8.1833 9.1523 9.1523 10.0418 10.0418 10.2228 10.2228 10.8450 10.8450 k = 0.0000 0.0000 0.2768 ( 5005 PWs) bands (ev): -13.4732 -13.4732 -12.9642 -12.9642 -11.2751 -11.2751 -10.1690 -10.1690 -9.9186 -9.9186 -9.9042 -9.9042 -4.6381 -4.6381 -4.5091 -4.5091 -3.4910 -3.4910 -0.9344 -0.9344 -0.6303 -0.6303 -0.1755 -0.1755 0.6215 0.6215 0.6473 0.6473 0.6692 0.6692 0.9233 0.9233 2.2845 2.2845 2.5208 2.5208 3.1691 3.1691 3.3104 3.3104 3.6837 3.6837 3.7113 3.7113 3.8126 3.8126 3.9560 3.9560 8.1077 8.1077 9.1605 9.1605 10.1376 10.1376 10.3514 10.3514 10.7893 10.7893 k = 0.0000 0.0000 0.2595 ( 5011 PWs) bands (ev): -13.4891 -13.4891 -12.9543 -12.9543 -11.2908 -11.2908 -10.1188 -10.1188 -9.9243 -9.9243 -9.9094 -9.9094 -4.6026 -4.6026 -4.4639 -4.4639 -3.6019 -3.6019 -0.9685 -0.9685 -0.6484 -0.6484 -0.2172 -0.2172 0.5948 0.5948 0.6354 0.6354 0.7330 0.7330 0.9717 0.9717 2.2947 2.2947 2.5450 2.5450 3.1793 3.1793 3.3049 3.3049 3.6818 3.6818 3.6963 3.6963 3.8163 3.8163 3.9428 3.9428 8.0310 8.0310 9.1681 9.1681 10.2280 10.2280 10.4837 10.4837 10.7343 10.7343 k = 0.0000 0.0000 0.2422 ( 5019 PWs) bands (ev): -13.5043 -13.5043 -12.9451 -12.9451 -11.3053 -11.3053 -10.0695 -10.0695 -9.9300 -9.9300 -9.9145 -9.9145 -4.5665 -4.5665 -4.4178 -4.4178 -3.7084 -3.7084 -1.0018 -1.0018 -0.6670 -0.6670 -0.2658 -0.2658 0.5386 0.5386 0.6325 0.6325 0.8198 0.8198 1.0193 1.0193 2.3051 2.3051 2.5681 2.5681 3.1917 3.1917 3.2967 3.2967 3.6745 3.6745 3.6894 3.6894 3.8200 3.8200 3.9300 3.9300 7.9536 7.9536 9.1752 9.1752 10.3094 10.3094 10.6182 10.6182 10.6810 10.6810 k = 0.0000 0.0000 0.2249 ( 5027 PWs) bands (ev): -13.5187 -13.5187 -12.9365 -12.9365 -11.3187 -11.3187 -10.0215 -10.0215 -9.9354 -9.9354 -9.9195 -9.9195 -4.5300 -4.5300 -4.3713 -4.3713 -3.8101 -3.8101 -1.0343 -1.0343 -0.6855 -0.6855 -0.3195 -0.3195 0.4825 0.4825 0.6337 0.6337 0.9038 0.9038 1.0656 1.0656 2.3156 2.3156 2.5900 2.5900 3.2059 3.2059 3.2859 3.2859 3.6642 3.6642 3.6885 3.6885 3.8239 3.8239 3.9181 3.9181 7.8763 7.8763 9.1818 9.1818 10.3779 10.3779 10.6270 10.6270 10.7569 10.7569 k = 0.0000 0.0000 0.2076 ( 5003 PWs) bands (ev): -13.5322 -13.5322 -12.9286 -12.9286 -11.3309 -11.3309 -9.9756 -9.9756 -9.9400 -9.9400 -9.9243 -9.9243 -4.4937 -4.4937 -4.3249 -4.3249 -3.9065 -3.9065 -1.0658 -1.0658 -0.7036 -0.7036 -0.3767 -0.3767 0.4279 0.4279 0.6381 0.6381 0.9832 0.9832 1.1107 1.1107 2.3259 2.3259 2.6102 2.6102 3.2213 3.2213 3.2727 3.2727 3.6553 3.6553 3.6891 3.6891 3.8279 3.8279 3.9076 3.9076 7.7998 7.7998 9.1880 9.1880 10.4304 10.4304 10.5766 10.5766 10.8955 10.8955 k = 0.0000 0.0000 0.1903 ( 5013 PWs) bands (ev): -13.5448 -13.5448 -12.9214 -12.9214 -11.3420 -11.3420 -9.9492 -9.9492 -9.9296 -9.9296 -9.9260 -9.9260 -4.4579 -4.4579 -4.2790 -4.2790 -3.9973 -3.9973 -1.0962 -1.0962 -0.7209 -0.7209 -0.4355 -0.4355 0.3753 0.3753 0.6448 0.6448 1.0571 1.0571 1.1543 1.1543 2.3360 2.3360 2.6288 2.6288 3.2369 3.2369 3.2582 3.2582 3.6486 3.6486 3.6901 3.6901 3.8319 3.8319 3.8990 3.8990 7.7247 7.7247 9.1937 9.1937 10.4646 10.4646 10.5287 10.5287 11.0349 11.0349 k = 0.0000 0.0000 0.1730 ( 5005 PWs) bands (ev): -13.5565 -13.5565 -12.9149 -12.9149 -11.3521 -11.3521 -9.9523 -9.9523 -9.9335 -9.9335 -9.8855 -9.8855 -4.4230 -4.4230 -4.2341 -4.2341 -4.0821 -4.0821 -1.1252 -1.1252 -0.7372 -0.7372 -0.4946 -0.4946 0.3255 0.3255 0.6530 0.6530 1.1246 1.1246 1.1967 1.1967 2.3457 2.3457 2.6455 2.6455 3.2379 3.2379 3.2568 3.2568 3.6438 3.6438 3.6914 3.6914 3.8358 3.8358 3.8928 3.8928 7.6519 7.6519 9.1991 9.1991 10.4721 10.4721 10.4938 10.4938 11.1740 11.1740 k = 0.0000 0.0000 0.1557 ( 5009 PWs) bands (ev): -13.5672 -13.5672 -12.9090 -12.9090 -11.3611 -11.3611 -9.9566 -9.9566 -9.9376 -9.9376 -9.8456 -9.8456 -4.3895 -4.3895 -4.1912 -4.1912 -4.1600 -4.1600 -1.1528 -1.1528 -0.7524 -0.7524 -0.5525 -0.5525 0.2789 0.2789 0.6619 0.6619 1.1845 1.1845 1.2383 1.2383 2.3549 2.3549 2.6603 2.6603 3.2213 3.2213 3.2714 3.2714 3.6407 3.6407 3.6928 3.6928 3.8398 3.8398 3.8894 3.8894 7.5821 7.5821 9.2040 9.2040 10.4349 10.4349 10.4927 10.4927 11.3120 11.3120 k = 0.0000 0.0000 0.1384 ( 5005 PWs) bands (ev): -13.5768 -13.5768 -12.9037 -12.9037 -11.3691 -11.3691 -9.9607 -9.9607 -9.9415 -9.9415 -9.8084 -9.8084 -4.3579 -4.3579 -4.2322 -4.2322 -4.1493 -4.1493 -1.1787 -1.1787 -0.7664 -0.7664 -0.6079 -0.6079 0.2361 0.2361 0.6709 0.6709 1.2354 1.2354 1.2801 1.2801 2.3634 2.3634 2.6734 2.6734 3.2035 3.2035 3.2855 3.2855 3.6389 3.6389 3.6941 3.6941 3.8435 3.8435 3.8889 3.8889 7.5163 7.5163 9.2086 9.2086 10.3954 10.3954 10.4876 10.4876 11.4477 11.4477 k = 0.0000 0.0000 0.1211 ( 5013 PWs) bands (ev): -13.5854 -13.5854 -12.8991 -12.8991 -11.3761 -11.3761 -9.9644 -9.9644 -9.9449 -9.9449 -9.7745 -9.7745 -4.3288 -4.3288 -4.2961 -4.2961 -4.1111 -4.1111 -1.2025 -1.2025 -0.7790 -0.7790 -0.6597 -0.6597 0.1974 0.1974 0.6798 0.6798 1.2767 1.2767 1.3220 1.3220 2.3712 2.3712 2.6848 2.6848 3.1860 3.1860 3.2978 3.2978 3.6381 3.6381 3.6955 3.6955 3.8471 3.8471 3.8912 3.8912 7.4553 7.4553 9.2127 9.2127 10.3591 10.3591 10.4770 10.4770 11.5798 11.5798 k = 0.0000 0.0000 0.1038 ( 5015 PWs) bands (ev): -13.5929 -13.5929 -12.8951 -12.8951 -11.3821 -11.3821 -9.9678 -9.9678 -9.9480 -9.9480 -9.7442 -9.7442 -4.3532 -4.3532 -4.3017 -4.3017 -4.0761 -4.0761 -1.2241 -1.2241 -0.7905 -0.7905 -0.7066 -0.7066 0.1632 0.1632 0.6880 0.6880 1.3101 1.3101 1.3618 1.3618 2.3781 2.3781 2.6945 2.6945 3.1694 3.1694 3.3077 3.3077 3.6381 3.6381 3.6967 3.6967 3.8503 3.8503 3.8959 3.8959 7.4001 7.4001 9.2164 9.2164 10.3266 10.3266 10.4633 10.4633 11.7067 11.7067 k = 0.0000 0.0000 0.0865 ( 5023 PWs) bands (ev): -13.5993 -13.5993 -12.8917 -12.8917 -11.3872 -11.3872 -9.9707 -9.9707 -9.9507 -9.9507 -9.7179 -9.7179 -4.4017 -4.4017 -4.2785 -4.2785 -4.0452 -4.0452 -1.2430 -1.2430 -0.8010 -0.8010 -0.7473 -0.7473 0.1338 0.1338 0.6953 0.6953 1.3375 1.3375 1.3973 1.3973 2.3841 2.3841 2.7026 2.7026 3.1544 3.1544 3.3152 3.3152 3.6384 3.6384 3.6979 3.6979 3.8532 3.8532 3.9024 3.9024 7.3515 7.3515 9.2196 9.2196 10.2984 10.2984 10.4489 10.4489 11.8263 11.8263 k = 0.0000 0.0000 0.0692 ( 5019 PWs) bands (ev): -13.6046 -13.6046 -12.8890 -12.8890 -11.3914 -11.3914 -9.9731 -9.9731 -9.9529 -9.9529 -9.6959 -9.6959 -4.4419 -4.4419 -4.2588 -4.2588 -4.0190 -4.0190 -1.2590 -1.2590 -0.8119 -0.8119 -0.7796 -0.7796 0.1095 0.1095 0.7016 0.7016 1.3598 1.3598 1.4272 1.4272 2.3891 2.3891 2.7093 2.7093 3.1414 3.1414 3.3206 3.3206 3.6389 3.6389 3.6988 3.6988 3.8556 3.8556 3.9097 3.9097 7.3103 7.3103 9.2224 9.2224 10.2748 10.2748 10.4353 10.4353 11.9355 11.9355 k = 0.0000 0.0000 0.0519 ( 5021 PWs) bands (ev): -13.6087 -13.6087 -12.8869 -12.8869 -11.3946 -11.3946 -9.9749 -9.9749 -9.9546 -9.9546 -9.6785 -9.6785 -4.4735 -4.4735 -4.2430 -4.2430 -3.9979 -3.9979 -1.2718 -1.2718 -0.8263 -0.8263 -0.7998 -0.7998 0.0903 0.0903 0.7066 0.7066 1.3771 1.3771 1.4507 1.4507 2.3930 2.3930 2.7144 2.7144 3.1309 3.1309 3.3241 3.3241 3.6395 3.6395 3.6996 3.6996 3.8576 3.8576 3.9167 3.9167 7.2773 7.2773 9.2246 9.2246 10.2562 10.2562 10.4237 10.4237 12.0301 12.0301 k = 0.0000 0.0000 0.0346 ( 5017 PWs) bands (ev): -13.6117 -13.6117 -12.8853 -12.8853 -11.3968 -11.3968 -9.9763 -9.9763 -9.9558 -9.9558 -9.6659 -9.6659 -4.4963 -4.4963 -4.2315 -4.2315 -3.9825 -3.9825 -1.2811 -1.2811 -0.8422 -0.8422 -0.8090 -0.8090 0.0766 0.0766 0.7103 0.7103 1.3896 1.3896 1.4677 1.4677 2.3958 2.3958 2.7181 2.7181 3.1231 3.1231 3.3263 3.3263 3.6400 3.6400 3.7002 3.7002 3.8591 3.8591 3.9226 3.9226 7.2533 7.2533 9.2262 9.2262 10.2427 10.2427 10.4149 10.4149 12.1042 12.1042 k = 0.0000 0.0000 0.0173 ( 5017 PWs) bands (ev): -13.6134 -13.6134 -12.8844 -12.8844 -11.3982 -11.3982 -9.9771 -9.9771 -9.9566 -9.9566 -9.6582 -9.6582 -4.5100 -4.5100 -4.2245 -4.2245 -3.9730 -3.9730 -1.2868 -1.2868 -0.8533 -0.8533 -0.8131 -0.8131 0.0683 0.0683 0.7125 0.7125 1.3972 1.3972 1.4780 1.4780 2.3975 2.3975 2.7203 2.7203 3.1183 3.1183 3.3274 3.3274 3.6403 3.6403 3.7005 3.7005 3.8599 3.8599 3.9264 3.9264 7.2387 7.2387 9.2271 9.2271 10.2346 10.2346 10.4094 10.4094 12.1510 12.1510 k = 0.0000 0.0000 0.0000 ( 5021 PWs) bands (ev): -13.6140 -13.6140 -12.8841 -12.8841 -11.3987 -11.3987 -9.9774 -9.9774 -9.9569 -9.9569 -9.6557 -9.6557 -4.5146 -4.5146 -4.2222 -4.2222 -3.9699 -3.9699 -1.2887 -1.2887 -0.8572 -0.8572 -0.8144 -0.8144 0.0655 0.0655 0.7132 0.7132 1.3997 1.3997 1.4814 1.4814 2.3981 2.3981 2.7210 2.7210 3.1167 3.1167 3.3277 3.3277 3.6404 3.6404 3.7006 3.7006 3.8602 3.8602 3.9278 3.9278 7.2338 7.2338 9.2275 9.2275 10.2318 10.2318 10.4076 10.4076 12.1666 12.1666 k = 0.0000 0.0000 0.0000 ( 5021 PWs) bands (ev): -13.6140 -13.6140 -12.8841 -12.8841 -11.3987 -11.3987 -9.9774 -9.9774 -9.9569 -9.9569 -9.6557 -9.6557 -4.5146 -4.5146 -4.2222 -4.2222 -3.9699 -3.9699 -1.2887 -1.2887 -0.8572 -0.8572 -0.8144 -0.8144 0.0655 0.0655 0.7132 0.7132 1.3997 1.3997 1.4814 1.4814 2.3981 2.3981 2.7210 2.7210 3.1167 3.1167 3.3277 3.3277 3.6404 3.6404 3.7006 3.7006 3.8602 3.8602 3.9278 3.9278 7.2338 7.2338 9.2275 9.2275 10.2318 10.2318 10.4076 10.4076 12.1666 12.1666 k =-0.0147 0.0091 0.0000 ( 5013 PWs) bands (ev): -13.6133 -13.6132 -12.8843 -12.8841 -11.4004 -11.4003 -9.9776 -9.9770 -9.9569 -9.9567 -9.6562 -9.6550 -4.5167 -4.5163 -4.2203 -4.2197 -3.9678 -3.9664 -1.2900 -1.2883 -0.8580 -0.8574 -0.8132 -0.8130 0.0644 0.0649 0.7081 0.7115 1.4011 1.4011 1.4818 1.4828 2.3982 2.3993 2.7186 2.7197 3.1181 3.1182 3.3279 3.3279 3.6401 3.6403 3.6958 3.6970 3.8594 3.8596 3.9282 3.9289 7.2380 7.2382 9.2250 9.2290 10.2332 10.2337 10.4082 10.4108 12.1395 12.1671 k =-0.0294 0.0181 0.0000 ( 5009 PWs) bands (ev): -13.6109 -13.6109 -12.8845 -12.8842 -11.4055 -11.4053 -9.9777 -9.9764 -9.9567 -9.9563 -9.6565 -9.6543 -4.5225 -4.5218 -4.2141 -4.2127 -3.9602 -3.9574 -1.2920 -1.2886 -0.8600 -0.8585 -0.8093 -0.8090 0.0616 0.0627 0.6960 0.7029 1.4055 1.4055 1.4842 1.4862 2.3996 2.4018 2.7125 2.7147 3.1224 3.1226 3.3283 3.3284 3.6391 3.6397 3.6829 3.6850 3.8572 3.8576 3.9302 3.9314 7.2507 7.2512 9.2217 9.2297 10.2377 10.2387 10.4127 10.4178 12.0995 12.1341 k =-0.0441 0.0272 0.0000 ( 5007 PWs) bands (ev): -13.6071 -13.6070 -12.8849 -12.8844 -11.4140 -11.4137 -9.9776 -9.9757 -9.9564 -9.9558 -9.6568 -9.6534 -4.5316 -4.5307 -4.2035 -4.2015 -3.9475 -3.9434 -1.2948 -1.2898 -0.8634 -0.8607 -0.8026 -0.8024 0.0572 0.0589 0.6775 0.6876 1.4126 1.4126 1.4885 1.4915 2.4022 2.4053 2.7026 2.7059 3.1295 3.1298 3.3290 3.3291 3.6367 3.6383 3.6634 3.6657 3.8536 3.8542 3.9335 3.9351 7.2717 7.2725 9.2177 9.2295 10.2454 10.2468 10.4207 10.4282 12.0512 12.0849 k =-0.0588 0.0363 0.0000 ( 4997 PWs) bands (ev): -13.6017 -13.6017 -12.8853 -12.8848 -11.4257 -11.4253 -9.9773 -9.9748 -9.9559 -9.9551 -9.6569 -9.6524 -4.5436 -4.5424 -4.1887 -4.1859 -3.9302 -3.9249 -1.2983 -1.2916 -0.8682 -0.8641 -0.7930 -0.7928 0.0513 0.0534 0.6528 0.6661 1.4223 1.4225 1.4947 1.4985 2.4056 2.4095 2.6888 2.6932 3.1393 3.1397 3.3300 3.3302 3.6252 3.6312 3.6447 3.6458 3.8487 3.8494 3.9378 3.9398 7.3006 7.3015 9.2133 9.2286 10.2565 10.2582 10.4319 10.4415 11.9971 12.0284 k =-0.0735 0.0454 0.0000 ( 4993 PWs) bands (ev): -13.5948 -13.5947 -12.8859 -12.8852 -11.4406 -11.4402 -9.9768 -9.9738 -9.9552 -9.9542 -9.6570 -9.6514 -4.5577 -4.5565 -4.1696 -4.1662 -3.9089 -3.9025 -1.3024 -1.2942 -0.8744 -0.8689 -0.7807 -0.7800 0.0437 0.0463 0.6225 0.6388 1.4345 1.4349 1.5027 1.5073 2.4097 2.4142 2.6709 2.6764 3.1515 3.1522 3.3313 3.3315 3.5950 3.6020 3.6394 3.6407 3.8426 3.8435 3.9429 3.9451 7.3367 7.3379 9.2087 9.2274 10.2708 10.2727 10.4458 10.4571 11.9392 11.9677 k =-0.0882 0.0544 0.0000 ( 4993 PWs) bands (ev): -13.5864 -13.5863 -12.8866 -12.8858 -11.4586 -11.4581 -9.9762 -9.9726 -9.9544 -9.9532 -9.6570 -9.6504 -4.5735 -4.5722 -4.1465 -4.1424 -3.8842 -3.8768 -1.3071 -1.2974 -0.8820 -0.8751 -0.7655 -0.7645 0.0346 0.0376 0.5873 0.6063 1.4490 1.4497 1.5126 1.5179 2.4139 2.4189 2.6489 2.6555 3.1659 3.1667 3.3328 3.3331 3.5565 3.5640 3.6377 3.6387 3.8355 3.8365 3.9487 3.9510 7.3794 7.3808 9.2043 9.2261 10.2884 10.2905 10.4616 10.4745 11.8787 11.9045 k =-0.1029 0.0635 0.0000 ( 5001 PWs) bands (ev): -13.5764 -13.5763 -12.8874 -12.8864 -11.4795 -11.4789 -9.9754 -9.9714 -9.9534 -9.9520 -9.6570 -9.6494 -4.5904 -4.5892 -4.1195 -4.1147 -3.8566 -3.8483 -1.3122 -1.3011 -0.8907 -0.8825 -0.7475 -0.7462 0.0240 0.0274 0.5475 0.5692 1.4655 1.4667 1.5242 1.5300 2.4180 2.4233 2.6225 2.6303 3.1819 3.1830 3.3346 3.3348 3.5133 3.5213 3.6366 3.6374 3.8275 3.8287 3.9551 3.9575 7.4280 7.4295 9.2003 9.2249 10.3094 10.3116 10.4787 10.4928 11.8166 11.8400 k =-0.1176 0.0726 0.0000 ( 5005 PWs) bands (ev): -13.5650 -13.5649 -12.8882 -12.8872 -11.5032 -11.5026 -9.9745 -9.9700 -9.9522 -9.9505 -9.6570 -9.6485 -4.6079 -4.6069 -4.0887 -4.0833 -3.8267 -3.8176 -1.3176 -1.3052 -0.9006 -0.8910 -0.7269 -0.7253 0.0118 0.0156 0.5040 0.5280 1.4837 1.4857 1.5376 1.5436 2.4217 2.4272 2.5917 2.6006 3.1991 3.2005 3.3366 3.3368 3.4668 3.4753 3.6359 3.6364 3.8192 3.8205 3.9618 3.9643 7.4816 7.4833 9.1972 9.2243 10.3335 10.3358 10.4963 10.5115 11.7540 11.7751 k =-0.1324 0.0817 0.0000 ( 5013 PWs) bands (ev): -13.5521 -13.5520 -12.8892 -12.8880 -11.5296 -11.5289 -9.9733 -9.9686 -9.9508 -9.9489 -9.6572 -9.6478 -4.6258 -4.6249 -4.0543 -4.0482 -3.7948 -3.7851 -1.3233 -1.3097 -0.9115 -0.9006 -0.7038 -0.7020 -0.0017 0.0024 0.4572 0.4834 1.5033 1.5065 1.5530 1.5588 2.4248 2.4302 2.5563 2.5663 3.2167 3.2183 3.3387 3.3388 3.4180 3.4271 3.6354 3.6358 3.8108 3.8123 3.9690 3.9715 7.5396 7.5414 9.1952 9.2245 10.3609 10.3632 10.5137 10.5297 11.6913 11.7105 k =-0.1471 0.0907 0.0000 ( 5015 PWs) bands (ev): -13.5378 -13.5377 -12.8902 -12.8890 -11.5584 -11.5577 -9.9721 -9.9671 -9.9493 -9.9469 -9.6574 -9.6472 -4.6437 -4.6430 -4.0165 -4.0098 -3.7614 -3.7511 -1.3292 -1.3144 -0.9232 -0.9111 -0.6783 -0.6764 -0.0167 -0.0123 0.4077 0.4359 1.5238 1.5288 1.5704 1.5754 2.4270 2.4323 2.5163 2.5275 3.2338 3.2356 3.3403 3.3408 3.3684 3.3783 3.6351 3.6354 3.8033 3.8048 3.9766 3.9791 7.6012 7.6031 9.1945 9.2258 10.3912 10.3935 10.5303 10.5469 11.6293 11.6466 k =-0.1618 0.0998 0.0000 ( 5013 PWs) bands (ev): -13.5220 -13.5219 -12.8913 -12.8900 -11.5894 -11.5887 -9.9708 -9.9656 -9.9475 -9.9447 -9.6579 -9.6469 -4.6614 -4.6609 -3.9756 -3.9683 -3.7268 -3.7159 -1.3351 -1.3191 -0.9356 -0.9224 -0.6506 -0.6486 -0.0330 -0.0284 0.3560 0.3859 1.5446 1.5523 1.5901 1.5936 2.4283 2.4330 2.4722 2.4842 3.2497 3.2513 3.3170 3.3236 3.3445 3.3473 3.6346 3.6348 3.7975 3.7991 3.9844 3.9869 7.6656 7.6676 9.1954 9.2284 10.4242 10.4266 10.5454 10.5626 11.5683 11.5841 k =-0.1765 0.1089 0.0000 ( 5013 PWs) bands (ev): -13.5049 -13.5047 -12.8924 -12.8911 -11.6226 -11.6218 -9.9693 -9.9641 -9.9454 -9.9422 -9.6586 -9.6468 -4.6786 -4.6783 -3.9318 -3.9239 -3.6912 -3.6798 -1.3409 -1.3238 -0.9487 -0.9344 -0.6208 -0.6188 -0.0507 -0.0458 0.3025 0.3341 1.5651 1.5763 1.6125 1.6137 2.4198 2.4275 2.4365 2.4378 3.2582 3.2634 3.2739 3.2753 3.3469 3.3482 3.6331 3.6332 3.7948 3.7965 3.9925 3.9950 7.7321 7.7342 9.1982 9.2326 10.4594 10.4617 10.5588 10.5765 11.5088 11.5232 k =-0.1912 0.1180 0.0000 ( 5009 PWs) bands (ev): -13.4864 -13.4862 -12.8936 -12.8922 -11.6576 -11.6569 -9.9679 -9.9627 -9.9430 -9.9393 -9.6595 -9.6472 -4.6953 -4.6952 -3.8854 -3.8770 -3.6548 -3.6430 -1.3464 -1.3284 -0.9622 -0.9470 -0.5891 -0.5872 -0.0697 -0.0646 0.2478 0.2807 1.5849 1.5999 1.6362 1.6375 2.3686 2.3844 2.4288 2.4339 3.2150 3.2260 3.2743 3.2784 3.3497 3.3507 3.6296 3.6297 3.7966 3.7983 4.0007 4.0032 7.8002 7.8024 9.2029 9.2386 10.4955 10.4974 10.5715 10.5892 11.4511 11.4643 k =-0.2059 0.1270 0.0000 ( 5009 PWs) bands (ev): -13.4665 -13.4664 -12.8949 -12.8934 -11.6943 -11.6936 -9.9664 -9.9615 -9.9403 -9.9359 -9.6608 -9.6479 -4.7114 -4.7113 -3.8367 -3.8277 -3.6180 -3.6059 -1.3517 -1.3327 -0.9761 -0.9601 -0.5558 -0.5539 -0.0900 -0.0848 0.1923 0.2263 1.6037 1.6222 1.6614 1.6649 2.3125 2.3296 2.4272 2.4320 3.1666 3.1774 3.2819 3.2857 3.3526 3.3535 3.6233 3.6236 3.8040 3.8058 4.0090 4.0115 7.8693 7.8715 9.2097 9.2465 10.5287 10.5292 10.5876 10.6034 11.3956 11.4076 k =-0.2206 0.1361 0.0000 ( 5011 PWs) bands (ev): -13.4454 -13.4452 -12.8961 -12.8946 -11.7326 -11.7319 -9.9650 -9.9603 -9.9371 -9.9321 -9.6625 -9.6490 -4.7268 -4.7265 -3.7860 -3.7766 -3.5809 -3.5685 -1.3564 -1.3365 -0.9901 -0.9734 -0.5210 -0.5192 -0.1117 -0.1062 0.1363 0.1712 1.6214 1.6429 1.6893 1.6945 2.2535 2.2722 2.4250 2.4295 3.1191 3.1300 3.2860 3.2897 3.3556 3.3564 3.6139 3.6142 3.8174 3.8191 4.0174 4.0198 7.9387 7.9409 9.2189 9.2564 10.5459 10.5526 10.6163 10.6264 11.3423 11.3535 k =-0.2353 0.1452 0.0000 ( 4997 PWs) bands (ev): -13.4231 -13.4229 -12.8974 -12.8959 -11.7721 -11.7714 -9.9638 -9.9593 -9.9335 -9.9278 -9.6646 -9.6506 -4.7413 -4.7409 -3.7336 -3.7237 -3.5437 -3.5311 -1.3606 -1.3399 -1.0043 -0.9869 -0.4849 -0.4832 -0.1346 -0.1289 0.0802 0.1159 1.6376 1.6617 1.7195 1.7257 2.1928 2.2133 2.4220 2.4263 3.0728 3.0838 3.2865 3.2902 3.3586 3.3594 3.6016 3.6020 3.8363 3.8379 4.0257 4.0281 8.0080 8.0103 9.2303 9.2686 10.5486 10.5604 10.6574 10.6630 11.2915 11.3019 k =-0.2500 0.1543 0.0000 ( 5003 PWs) bands (ev): -13.3996 -13.3994 -12.8987 -12.8972 -11.8127 -11.8120 -9.9626 -9.9585 -9.9294 -9.9230 -9.6671 -9.6526 -4.7550 -4.7544 -3.6800 -3.6697 -3.5067 -3.4940 -1.3640 -1.3425 -1.0183 -1.0004 -0.4478 -0.4464 -0.1588 -0.1527 0.0246 0.0606 1.6518 1.6784 1.7512 1.7583 2.1320 2.1542 2.4185 2.4225 3.0277 3.0388 3.2838 3.2874 3.3616 3.3623 3.5870 3.5875 3.8596 3.8612 4.0339 4.0362 8.0767 8.0790 9.2442 9.2830 10.5424 10.5571 10.7050 10.7084 11.2434 11.2532 k =-0.2647 0.1633 0.0000 ( 5011 PWs) bands (ev): -13.3750 -13.3748 -12.9000 -12.8985 -11.8541 -11.8535 -9.9617 -9.9579 -9.9248 -9.9178 -9.6700 -9.6552 -4.7677 -4.7670 -3.6255 -3.6149 -3.4699 -3.4572 -1.3665 -1.3443 -1.0321 -1.0138 -0.4101 -0.4089 -0.1843 -0.1777 -0.0304 0.0056 1.6629 1.6920 1.7839 1.7918 2.0728 2.0968 2.4144 2.4183 2.9840 2.9951 3.2783 3.2818 3.3646 3.3652 3.5706 3.5712 3.8863 3.8879 4.0419 4.0442 8.1444 8.1467 9.2605 9.2997 10.5300 10.5463 10.7561 10.7586 11.1981 11.2073 k =-0.2794 0.1724 0.0000 ( 5011 PWs) bands (ev): -13.3494 -13.3492 -12.9013 -12.8998 -11.8963 -11.8957 -9.9608 -9.9574 -9.9197 -9.9120 -9.6734 -9.6584 -4.7795 -4.7787 -3.5705 -3.5596 -3.4337 -3.4210 -1.3680 -1.3452 -1.0455 -1.0270 -0.3720 -0.3712 -0.2110 -0.2036 -0.0841 -0.0486 1.6695 1.7009 1.8168 1.8260 2.0183 2.0433 2.4099 2.4136 2.9415 2.9525 3.2702 3.2736 3.3675 3.3680 3.5532 3.5537 3.9152 3.9168 4.0497 4.0520 8.2107 8.2129 9.2794 9.3188 10.5120 10.5297 10.8097 10.8118 11.1555 11.1643 k =-0.2941 0.1815 0.0000 ( 5011 PWs) bands (ev): -13.3229 -13.3227 -12.9025 -12.9010 -11.9388 -11.9383 -9.9602 -9.9570 -9.9140 -9.9059 -9.6773 -9.6620 -4.7903 -4.7895 -3.5155 -3.5044 -3.3982 -3.3857 -1.3684 -1.3451 -1.0584 -1.0398 -0.3343 -0.3342 -0.2390 -0.2296 -0.1360 -0.1017 1.6692 1.7017 1.8487 1.8604 1.9734 1.9972 2.4051 2.4086 2.9002 2.9112 3.2600 3.2633 3.3703 3.3708 3.5351 3.5356 3.9455 3.9470 4.0573 4.0594 8.2751 8.2773 9.3008 9.3404 10.4889 10.5078 10.8653 10.8672 11.1159 11.1242 k =-0.3088 0.1906 0.0000 ( 5011 PWs) bands (ev): -13.2956 -13.2955 -12.9037 -12.9023 -11.9816 -11.9811 -9.9597 -9.9568 -9.9079 -9.8993 -9.6816 -9.6662 -4.8002 -4.7993 -3.4609 -3.4497 -3.3636 -3.3513 -1.3676 -1.3438 -1.0707 -1.0522 -0.3025 -0.2982 -0.2680 -0.2518 -0.1845 -0.1534 1.6593 1.6903 1.8758 1.8939 1.9464 1.9625 2.4000 2.4035 2.8601 2.8710 3.2482 3.2513 3.3731 3.3736 3.5167 3.5172 3.9762 3.9778 4.0645 4.0665 8.3373 8.3395 9.3247 9.3644 10.4612 10.4812 10.9224 10.9242 11.0791 11.0871 k =-0.3235 0.1996 0.0000 ( 5007 PWs) bands (ev): -13.2677 -13.2675 -12.9049 -12.9035 -12.0243 -12.0238 -9.9593 -9.9566 -9.9014 -9.8923 -9.6864 -9.6709 -4.8091 -4.8082 -3.4073 -3.3961 -3.3301 -3.3182 -1.3654 -1.3413 -1.0822 -1.0640 -0.3019 -0.2989 -0.2724 -0.2443 -0.2205 -0.2033 1.6381 1.6642 1.8896 1.9186 1.9488 1.9492 2.3947 2.3981 2.8213 2.8320 3.2350 3.2380 3.3758 3.3762 3.4984 3.4989 4.0068 4.0083 4.0713 4.0732 8.3969 8.3991 9.3512 9.3909 10.4291 10.4503 10.9804 10.9820 11.0455 11.0533 k =-0.3382 0.2087 0.0000 ( 5003 PWs) bands (ev): -13.2393 -13.2391 -12.9059 -12.9047 -12.0666 -12.0662 -9.9590 -9.9566 -9.8945 -9.8849 -9.6916 -9.6762 -4.8172 -4.8163 -3.3551 -3.3441 -3.2979 -3.2865 -1.3618 -1.3376 -1.0928 -1.0751 -0.3303 -0.3275 -0.2937 -0.2518 -0.2117 -0.2082 1.6065 1.6264 1.8945 1.9186 1.9726 1.9735 2.3893 2.3926 2.7839 2.7943 3.2209 3.2237 3.3783 3.3787 3.4805 3.4809 4.0367 4.0379 4.0778 4.0795 8.4536 8.4558 9.3803 9.4198 10.3931 10.4154 11.0121 11.0178 11.0418 11.0452 k =-0.3529 0.2178 0.0000 ( 4999 PWs) bands (ev): -13.2106 -13.2104 -12.9070 -12.9058 -12.1084 -12.1080 -9.9588 -9.9566 -9.8872 -9.8773 -9.6973 -9.6819 -4.8243 -4.8234 -3.3049 -3.2943 -3.2672 -3.2566 -1.3568 -1.3327 -1.1024 -1.0854 -0.3628 -0.3573 -0.3329 -0.2974 -0.1771 -0.1759 1.5681 1.5822 1.9016 1.9182 2.0043 2.0051 2.3838 2.3871 2.7481 2.7581 3.2061 3.2087 3.3807 3.3810 3.4632 3.4636 4.0652 4.0660 4.0842 4.0854 8.5071 8.5091 9.4118 9.4512 10.3536 10.3770 10.9848 10.9912 11.1002 11.1027 k =-0.3676 0.2268 0.0000 ( 4991 PWs) bands (ev): -13.1819 -13.1818 -12.9079 -12.9068 -12.1491 -12.1488 -9.9587 -9.9567 -9.8796 -9.8694 -9.7032 -9.6880 -4.8307 -4.8298 -3.2573 -3.2480 -3.2375 -3.2284 -1.3504 -1.3266 -1.1108 -1.0948 -0.3961 -0.3882 -0.3713 -0.3404 -0.1433 -0.1426 1.5266 1.5362 1.9114 1.9225 2.0361 2.0379 2.3782 2.3815 2.7140 2.7236 3.1911 3.1934 3.3829 3.3832 3.4468 3.4471 4.0867 4.0891 4.0937 4.0959 8.5568 8.5588 9.4458 9.4849 10.3110 10.3356 10.9593 10.9654 11.1597 11.1623 k =-0.3824 0.2359 0.0000 ( 4987 PWs) bands (ev): -13.1536 -13.1534 -12.9088 -12.9078 -12.1885 -12.1882 -9.9586 -9.9569 -9.8718 -9.8614 -9.7095 -9.6945 -4.8362 -4.8354 -3.2137 -3.2132 -3.2021 -3.2011 -1.3427 -1.3195 -1.1182 -1.1034 -0.4291 -0.4192 -0.4070 -0.3806 -0.1111 -0.1105 1.4849 1.4912 1.9227 1.9299 2.0675 2.0699 2.3725 2.3758 2.6820 2.6910 3.1761 3.1782 3.3850 3.3852 3.4314 3.4318 4.0931 4.0950 4.1176 4.1193 8.6026 8.6044 9.4822 9.5208 10.2658 10.2915 10.9363 10.9420 11.2190 11.2217 k =-0.3971 0.2450 0.0000 ( 4991 PWs) bands (ev): -13.1259 -13.1258 -12.9096 -12.9087 -12.2260 -12.2257 -9.9585 -9.9571 -9.8639 -9.8534 -9.7159 -9.7013 -4.8410 -4.8402 -3.1887 -3.1807 -3.1702 -3.1614 -1.3338 -1.3116 -1.1242 -1.1110 -0.4607 -0.4495 -0.4400 -0.4177 -0.0812 -0.0807 1.4452 1.4492 1.9345 1.9390 2.0976 2.1004 2.3668 2.3701 2.6524 2.6607 3.1614 3.1634 3.3869 3.3870 3.4174 3.4178 4.0977 4.0993 4.1402 4.1416 8.6441 8.6458 9.5208 9.5590 10.2185 10.2452 10.9161 10.9213 11.2775 11.2804 k =-0.4118 0.2541 0.0000 ( 4988 PWs) bands (ev): -13.0995 -13.0994 -12.9103 -12.9095 -12.2611 -12.2609 -9.9585 -9.9572 -9.8559 -9.8455 -9.7223 -9.7084 -4.8450 -4.8443 -3.1668 -3.1593 -3.1338 -3.1255 -1.3241 -1.3033 -1.1291 -1.1175 -0.4896 -0.4783 -0.4704 -0.4513 -0.0541 -0.0535 1.4087 1.4111 1.9460 1.9486 2.1259 2.1289 2.3610 2.3643 2.6255 2.6330 3.1476 3.1493 3.3885 3.3886 3.4049 3.4053 4.1016 4.1030 4.1603 4.1615 8.6809 8.6824 9.5616 9.5991 10.1695 10.1972 10.8985 10.9031 11.3348 11.3379 k =-0.4265 0.2631 0.0000 ( 4982 PWs) bands (ev): -13.0749 -13.0748 -12.9108 -12.9102 -12.2930 -12.2929 -9.9585 -9.9574 -9.8480 -9.8379 -9.7286 -9.7156 -4.8483 -4.8478 -3.1478 -3.1413 -3.1016 -3.0943 -1.3140 -1.2952 -1.1328 -1.1231 -0.5149 -0.5048 -0.4978 -0.4813 -0.0302 -0.0297 1.3765 1.3778 1.9567 1.9579 2.1518 2.1549 2.3553 2.3585 2.6017 2.6084 3.1350 3.1364 3.3897 3.3899 3.3941 3.3947 4.1050 4.1061 4.1777 4.1788 8.7127 8.7140 9.6042 9.6411 10.1195 10.1481 10.8836 10.8876 11.3903 11.3936 k =-0.4412 0.2722 0.0000 ( 4980 PWs) bands (ev): -13.0530 -13.0529 -12.9113 -12.9108 -12.3211 -12.3210 -9.9585 -9.9576 -9.8404 -9.8309 -9.7345 -9.7226 -4.8510 -4.8505 -3.1319 -3.1265 -3.0743 -3.0682 -1.3040 -1.2877 -1.1353 -1.1276 -0.5361 -0.5283 -0.5216 -0.5072 -0.0100 -0.0095 1.3494 1.3500 1.9661 1.9665 2.1750 2.1780 2.3496 2.3527 2.5816 2.5872 3.1239 3.1251 3.3848 3.3849 3.3912 3.3916 4.1077 4.1086 4.1922 4.1931 8.7392 8.7403 9.6485 9.6844 10.0690 10.0983 10.8714 10.8747 11.4435 11.4469 k =-0.4559 0.2813 0.0000 ( 4986 PWs) bands (ev): -13.0345 -13.0344 -12.9117 -12.9112 -12.3444 -12.3443 -9.9585 -9.9578 -9.8332 -9.8250 -9.7394 -9.7294 -4.8530 -4.8527 -3.1191 -3.1150 -3.0524 -3.0477 -1.2947 -1.2816 -1.1369 -1.1312 -0.5531 -0.5478 -0.5405 -0.5286 0.0062 0.0066 1.3277 1.3279 1.9738 1.9738 2.1946 2.1974 2.3443 2.3470 2.5656 2.5699 3.1149 3.1157 3.3778 3.3778 3.3921 3.3923 4.1099 4.1105 4.2036 4.2043 8.7602 8.7610 9.6939 9.7284 10.0190 10.0485 10.8620 10.8645 11.4935 11.4970 k =-0.4706 0.2904 0.0000 ( 4980 PWs) bands (ev): -13.0204 -13.0203 -12.9119 -12.9116 -12.3620 -12.3619 -9.9584 -9.9580 -9.8270 -9.8207 -9.7430 -9.7355 -4.8545 -4.8542 -3.1096 -3.1069 -3.0363 -3.0331 -1.2866 -1.2775 -1.1376 -1.1339 -0.5657 -0.5626 -0.5537 -0.5449 0.0181 0.0184 1.3119 1.3120 1.9793 1.9795 2.2101 2.2122 2.3398 2.3419 2.5540 2.5570 3.1081 3.1087 3.3726 3.3726 3.3928 3.3929 4.1114 4.1119 4.2119 4.2123 8.7754 8.7760 9.7396 9.7714 9.9713 9.9998 10.8554 10.8571 11.5389 11.5423 k =-0.4853 0.2994 0.0000 ( 4976 PWs) bands (ev): -13.0115 -13.0114 -12.9120 -12.9119 -12.3729 -12.3729 -9.9583 -9.9581 -9.8221 -9.8186 -9.7445 -9.7404 -4.8553 -4.8552 -3.1036 -3.1022 -3.0262 -3.0246 -1.2805 -1.2758 -1.1375 -1.1357 -0.5735 -0.5721 -0.5605 -0.5559 0.0253 0.0255 1.3023 1.3023 1.9828 1.9830 2.2203 2.2215 2.3369 2.3381 2.5473 2.5488 3.1040 3.1043 3.3695 3.3695 3.3932 3.3933 4.1124 4.1127 4.2169 4.2172 8.7846 8.7849 9.7829 9.8072 9.9323 9.9550 10.8515 10.8524 11.5761 11.5787 k =-0.5000 0.3085 0.0000 ( 4976 PWs) bands (ev): -13.0084 -13.0084 -12.9120 -12.9120 -12.3766 -12.3766 -9.9583 -9.9583 -9.8191 -9.8191 -9.7436 -9.7436 -4.8555 -4.8555 -3.1011 -3.1011 -3.0223 -3.0223 -1.2768 -1.2768 -1.1369 -1.1369 -0.5758 -0.5758 -0.5612 -0.5612 0.0278 0.0278 1.2991 1.2991 1.9841 1.9841 2.2243 2.2243 2.3362 2.3362 2.5455 2.5455 3.1028 3.1028 3.3685 3.3685 3.3934 3.3934 4.1128 4.1128 4.2187 4.2187 8.7878 8.7878 9.8139 9.8139 9.9241 9.9241 10.8506 10.8506 11.5938 11.5938 k =-0.5000 0.3085 0.0000 ( 4976 PWs) bands (ev): -13.0084 -13.0084 -12.9120 -12.9120 -12.3766 -12.3766 -9.9583 -9.9583 -9.8191 -9.8191 -9.7436 -9.7436 -4.8555 -4.8555 -3.1011 -3.1011 -3.0223 -3.0223 -1.2768 -1.2768 -1.1369 -1.1369 -0.5758 -0.5758 -0.5612 -0.5612 0.0278 0.0278 1.2991 1.2991 1.9841 1.9841 2.2243 2.2243 2.3362 2.3362 2.5455 2.5455 3.1028 3.1028 3.3685 3.3685 3.3934 3.3934 4.1128 4.1128 4.2187 4.2187 8.7878 8.7878 9.8139 9.8139 9.9241 9.9241 10.8506 10.8506 11.5938 11.5938 k =-0.4909 0.3233-0.0000 ( 4976 PWs) bands (ev): -13.0088 -13.0087 -12.9121 -12.9120 -12.3756 -12.3756 -9.9758 -9.9649 -9.8147 -9.8020 -9.7434 -9.7424 -4.8552 -4.8550 -3.1344 -3.1304 -2.9906 -2.9847 -1.3169 -1.2692 -1.1435 -1.0963 -0.5781 -0.5770 -0.5715 -0.5656 0.0329 0.0355 1.3001 1.3004 1.9794 1.9831 2.2206 2.2268 2.3367 2.3368 2.5432 2.5442 3.1036 3.1057 3.3622 3.3638 3.3994 3.3998 4.1090 4.1097 4.2188 4.2202 8.7901 8.7905 9.8153 9.8164 9.9215 9.9245 10.8494 10.8505 11.5853 11.5963 k =-0.4818 0.3380-0.0000 ( 4976 PWs) bands (ev): -13.0099 -13.0097 -12.9122 -12.9121 -12.3726 -12.3725 -10.0077 -9.9918 -9.7927 -9.7734 -9.7418 -9.7399 -4.8541 -4.8537 -3.1845 -3.1808 -2.9311 -2.9234 -1.3658 -1.3015 -1.1087 -1.0453 -0.5955 -0.5852 -0.5838 -0.5807 0.0502 0.0548 1.3035 1.3040 1.9691 1.9762 2.2156 2.2279 2.3383 2.3385 2.5374 2.5394 3.1080 3.1124 3.3517 3.3541 3.4121 3.4122 4.0990 4.1002 4.2201 4.2226 8.7973 8.7982 9.8205 9.8229 9.9167 9.9229 10.8470 10.8491 11.5715 11.5928 k =-0.4727 0.3528-0.0000 ( 4982 PWs) bands (ev): -13.0117 -13.0114 -12.9125 -12.9123 -12.3676 -12.3674 -10.0460 -10.0285 -9.7645 -9.7437 -9.7379 -9.7333 -4.8522 -4.8516 -3.2345 -3.2315 -2.8647 -2.8558 -1.4164 -1.3472 -1.0589 -0.9909 -0.6306 -0.6151 -0.5931 -0.5893 0.0773 0.0833 1.3091 1.3100 1.9535 1.9635 2.2096 2.2273 2.3410 2.3413 2.5286 2.5314 3.1159 3.1222 3.3406 3.3435 3.4268 3.4274 4.0840 4.0853 4.2215 4.2247 8.8094 8.8108 9.8294 9.8335 9.9097 9.9193 10.8434 10.8464 11.5531 11.5836 k =-0.4636 0.3675-0.0000 ( 4982 PWs) bands (ev): -13.0142 -13.0138 -12.9128 -12.9126 -12.3606 -12.3602 -10.0875 -10.0698 -9.7426 -9.7336 -9.7245 -9.7051 -4.8494 -4.8487 -3.2821 -3.2799 -2.7940 -2.7839 -1.4668 -1.3956 -1.0050 -0.9351 -0.6740 -0.6545 -0.6058 -0.6009 0.1114 0.1181 1.3170 1.3182 1.9329 1.9453 2.2022 2.2248 2.3447 2.3451 2.5171 2.5206 3.1266 3.1348 3.3297 3.3329 3.4430 3.4443 4.0654 4.0666 4.2219 4.2257 8.8264 8.8282 9.8411 9.8480 9.9005 9.9146 10.8385 10.8425 11.5311 11.5693 k =-0.4545 0.3823-0.0000 ( 4974 PWs) bands (ev): -13.0174 -13.0170 -12.9131 -12.9128 -12.3515 -12.3511 -10.1309 -10.1134 -9.7346 -9.7275 -9.6961 -9.6725 -4.8460 -4.8450 -3.3270 -3.3255 -2.7198 -2.7086 -1.5159 -1.4437 -0.9499 -0.8788 -0.7233 -0.7000 -0.6220 -0.6158 0.1499 0.1568 1.3272 1.3287 1.9077 1.9218 2.1934 2.2202 2.3496 2.3500 2.5036 2.5075 3.1396 3.1495 3.3190 3.3226 3.4606 3.4627 4.0439 4.0449 4.2206 4.2247 8.8481 8.8504 9.8538 9.8656 9.8900 9.9105 10.8325 10.8372 11.5066 11.5511 k =-0.4454 0.3971-0.0000 ( 4982 PWs) bands (ev): -13.0215 -13.0209 -12.9134 -12.9131 -12.3404 -12.3399 -10.1754 -10.1583 -9.7281 -9.7206 -9.6661 -9.6408 -4.8418 -4.8407 -3.3689 -3.3682 -2.6424 -2.6300 -1.5633 -1.4904 -0.8957 -0.8242 -0.7750 -0.7488 -0.6416 -0.6340 0.1909 0.1977 1.3396 1.3415 1.8780 1.8933 2.1829 2.2133 2.3554 2.3558 2.4885 2.4928 3.1542 3.1656 3.3086 3.3125 3.4798 3.4827 4.0205 4.0211 4.2172 4.2215 8.8744 8.8773 9.8612 9.8704 9.8942 9.9134 10.8252 10.8306 11.4803 11.5297 k =-0.4363 0.4118-0.0000 ( 4986 PWs) bands (ev): -13.0263 -13.0257 -12.9137 -12.9134 -12.3273 -12.3267 -10.2207 -10.2041 -9.7211 -9.7126 -9.6371 -9.6107 -4.8369 -4.8356 -3.4081 -3.4080 -2.5621 -2.5484 -1.6083 -1.5351 -0.8523 -0.8372 -0.7902 -0.7621 -0.6646 -0.6552 0.2329 0.2393 1.3543 1.3565 1.8443 1.8604 2.1705 2.2040 2.3622 2.3624 2.4726 2.4769 3.1698 3.1826 3.2985 3.3026 3.5006 3.5042 3.9957 3.9959 4.2115 4.2159 8.9052 8.9087 9.8551 9.8564 9.9203 9.9300 10.8167 10.8226 11.4530 11.5060 k =-0.4271 0.4266-0.0000 ( 4990 PWs) bands (ev): -13.0319 -13.0313 -12.9139 -12.9136 -12.3122 -12.3116 -10.2663 -10.2504 -9.7131 -9.7037 -9.6097 -9.5825 -4.8314 -4.8300 -3.4452 -3.4446 -2.4790 -2.4640 -1.6505 -1.5772 -0.8948 -0.8740 -0.7698 -0.7067 -0.6910 -0.6787 0.2746 0.2805 1.3711 1.3738 1.8069 1.8233 2.1560 2.1921 2.3697 2.3698 2.4563 2.4603 3.1859 3.1999 3.2887 3.2930 3.5230 3.5272 3.9698 3.9700 4.2035 4.2079 8.9404 8.9444 9.8358 9.8426 9.9521 9.9572 10.8069 10.8132 11.4253 11.4809 k =-0.4180 0.4413-0.0000 ( 4994 PWs) bands (ev): -13.0384 -13.0377 -12.9140 -12.9137 -12.2951 -12.2944 -10.3122 -10.2968 -9.7041 -9.6937 -9.5842 -9.5562 -4.8253 -4.8237 -3.4798 -3.4787 -2.3936 -2.3772 -1.6894 -1.6162 -0.9545 -0.9273 -0.7318 -0.7208 -0.6929 -0.6506 0.3151 0.3205 1.3901 1.3931 1.7661 1.7826 2.1393 2.1777 2.3773 2.3783 2.4404 2.4436 3.2020 3.2171 3.2791 3.2837 3.5470 3.5518 3.9432 3.9438 4.1932 4.1975 8.9797 8.9844 9.8136 9.8237 9.9887 9.9910 10.7958 10.8023 11.3977 11.4550 k =-0.4089 0.4561-0.0000 ( 4994 PWs) bands (ev): -13.0458 -13.0450 -12.9141 -12.9137 -12.2761 -12.2752 -10.3580 -10.3433 -9.6943 -9.6828 -9.5607 -9.5322 -4.8187 -4.8170 -3.5122 -3.5106 -2.3062 -2.2882 -1.7245 -1.6516 -1.0150 -0.9844 -0.7540 -0.7480 -0.6537 -0.5947 0.3537 0.3586 1.4110 1.4145 1.7223 1.7388 2.1204 2.1606 2.3839 2.3871 2.4265 2.4273 3.2176 3.2339 3.2698 3.2748 3.5725 3.5778 3.9165 3.9176 4.1808 4.1849 9.0231 9.0283 9.7886 9.8009 10.0299 10.0303 10.7833 10.7898 11.3704 11.4287 k =-0.3998 0.4709-0.0000 ( 4994 PWs) bands (ev): -13.0540 -13.0532 -12.9140 -12.9137 -12.2550 -12.2541 -10.4036 -10.3896 -9.6835 -9.6710 -9.5394 -9.5103 -4.8116 -4.8098 -3.5426 -3.5405 -2.2176 -2.1975 -1.7546 -1.6826 -1.0756 -1.0425 -0.7904 -0.7814 -0.6002 -0.5393 0.3897 0.3942 1.4339 1.4379 1.6760 1.6925 2.0990 2.1409 2.3856 2.3947 2.4136 2.4187 3.2321 3.2493 3.2613 3.2668 3.5994 3.6051 3.8901 3.8916 4.1666 4.1703 9.0701 9.0761 9.7607 9.7746 10.0744 10.0756 10.7692 10.7757 11.3439 11.4024 k =-0.3907 0.4856-0.0000 ( 4990 PWs) bands (ev): -13.0630 -13.0622 -12.9138 -12.9135 -12.2321 -12.2310 -10.4490 -10.4355 -9.6719 -9.6583 -9.5203 -9.4907 -4.8041 -4.8023 -3.5714 -3.5689 -2.1293 -2.1061 -1.7783 -1.7081 -1.1360 -1.1005 -0.8301 -0.8194 -0.5455 -0.4844 0.4225 0.4266 1.4583 1.4630 1.6280 1.6444 2.0753 2.1186 2.3782 2.3899 2.4134 2.4213 3.2422 3.2503 3.2626 3.2668 3.6276 3.6335 3.8643 3.8662 4.1506 4.1541 9.1208 9.1274 9.7300 9.7451 10.1233 10.1259 10.7535 10.7598 11.3181 11.3762 k =-0.3816 0.5004-0.0000 ( 4994 PWs) bands (ev): -13.0729 -13.0721 -12.9135 -12.9132 -12.2072 -12.2060 -10.4938 -10.4810 -9.6594 -9.6449 -9.5033 -9.4734 -4.7964 -4.7944 -3.5987 -3.5959 -2.0446 -2.0161 -1.7919 -1.7259 -1.1956 -1.1580 -0.8729 -0.8610 -0.4908 -0.4299 0.4513 0.4552 1.4834 1.4888 1.5796 1.5961 2.0491 2.0937 2.3663 2.3766 2.4233 2.4301 3.2412 3.2419 3.2691 3.2810 3.6566 3.6628 3.8393 3.8416 4.1333 4.1364 9.1748 9.1821 9.6964 9.7125 10.1767 10.1806 10.7360 10.7419 11.2933 11.3494 k =-0.3725 0.5151-0.0000 ( 4988 PWs) bands (ev): -13.0836 -13.0828 -12.9130 -12.9127 -12.1803 -12.1790 -10.5381 -10.5259 -9.6462 -9.6307 -9.4886 -9.4584 -4.7884 -4.7864 -3.6251 -3.6219 -1.9734 -1.9336 -1.7856 -1.7298 -1.2543 -1.2146 -0.9190 -0.9059 -0.4364 -0.3760 0.4756 0.4795 1.5023 1.5049 1.5418 1.5550 2.0206 2.0663 2.3536 2.3632 2.4349 2.4411 3.2334 3.2343 3.2808 3.2946 3.6864 3.6927 3.8154 3.8180 4.1148 4.1176 9.2319 9.2400 9.6601 9.6768 10.2346 10.2397 10.7165 10.7220 11.2690 11.3189 k =-0.3634 0.5299-0.0000 ( 4992 PWs) bands (ev): -13.0952 -13.0943 -12.9124 -12.9122 -12.1516 -12.1502 -10.5817 -10.5700 -9.6324 -9.6158 -9.4761 -9.4457 -4.7804 -4.7783 -3.6508 -3.6472 -1.9317 -1.8736 -1.7432 -1.7046 -1.3116 -1.2700 -0.9681 -0.9541 -0.3822 -0.3225 0.4947 0.4987 1.4692 1.4796 1.5572 1.5575 1.9897 2.0364 2.3416 2.3506 2.4473 2.4532 3.2250 3.2264 3.2931 3.3074 3.7166 3.7230 3.7927 3.7956 4.0956 4.0980 9.2919 9.3008 9.6211 9.6382 10.2969 10.3030 10.6950 10.7000 11.2441 11.2800 k =-0.3543 0.5447-0.0000 ( 4996 PWs) bands (ev): -13.1075 -13.1066 -12.9118 -12.9116 -12.1210 -12.1194 -10.6244 -10.6133 -9.6179 -9.6003 -9.4657 -9.4351 -4.7723 -4.7703 -3.6761 -3.6722 -1.9172 -1.8474 -1.6671 -1.6391 -1.3672 -1.3239 -1.0202 -1.0054 -0.3284 -0.2695 0.5079 0.5123 1.4206 1.4334 1.5853 1.5884 1.9566 2.0041 2.3306 2.3393 2.4601 2.4659 3.2170 3.2184 3.3049 3.3194 3.7469 3.7532 3.7714 3.7746 4.0758 4.0778 9.3546 9.3642 9.5794 9.5966 10.3633 10.3705 10.6713 10.6758 11.2149 11.2353 k =-0.3452 0.5594-0.0000 ( 5016 PWs) bands (ev): -13.1205 -13.1197 -12.9110 -12.9108 -12.0885 -12.0868 -10.6663 -10.6557 -9.6030 -9.5844 -9.4574 -9.4268 -4.7644 -4.7623 -3.7013 -3.6970 -1.9124 -1.8389 -1.5756 -1.5493 -1.4200 -1.3760 -1.0752 -1.0596 -0.2750 -0.2169 0.5144 0.5194 1.3722 1.3859 1.6180 1.6222 1.9214 1.9696 2.3210 2.3294 2.4731 2.4790 3.2092 3.2105 3.3160 3.3305 3.7512 3.7543 3.7775 3.7839 4.0558 4.0574 9.4195 9.4300 9.5351 9.5523 10.4336 10.4416 10.6455 10.6495 11.1762 11.1886 k =-0.3452 0.5594-0.0000 ( 5016 PWs) bands (ev): -13.1205 -13.1197 -12.9110 -12.9108 -12.0885 -12.0868 -10.6663 -10.6557 -9.6030 -9.5844 -9.4574 -9.4268 -4.7644 -4.7623 -3.7013 -3.6970 -1.9124 -1.8389 -1.5756 -1.5493 -1.4200 -1.3760 -1.0752 -1.0596 -0.2750 -0.2169 0.5144 0.5194 1.3722 1.3859 1.6180 1.6222 1.9214 1.9696 2.3210 2.3294 2.4731 2.4790 3.2092 3.2105 3.3160 3.3305 3.7512 3.7543 3.7775 3.7839 4.0558 4.0574 9.4195 9.4300 9.5351 9.5523 10.4336 10.4416 10.6455 10.6495 11.1762 11.1886 k =-0.3452 0.5594 0.0173 ( 5004 PWs) bands (ev): -13.1203 -13.1195 -12.9111 -12.9109 -12.0875 -12.0858 -10.6658 -10.6552 -9.6058 -9.5873 -9.4585 -9.4279 -4.7607 -4.7586 -3.7023 -3.6981 -1.9083 -1.8350 -1.5810 -1.5550 -1.4186 -1.3745 -1.0770 -1.0614 -0.2696 -0.2120 0.5149 0.5199 1.3705 1.3839 1.6185 1.6227 1.9215 1.9692 2.3155 2.3233 2.4785 2.4837 3.2083 3.2094 3.3176 3.3319 3.7508 3.7539 3.7778 3.7841 4.0550 4.0567 9.4181 9.4283 9.5333 9.5505 10.4344 10.4426 10.6343 10.6381 11.1845 11.1980 k =-0.3452 0.5594 0.0346 ( 5004 PWs) bands (ev): -13.1196 -13.1188 -12.9112 -12.9110 -12.0843 -12.0826 -10.6643 -10.6537 -9.6144 -9.5959 -9.4617 -9.4313 -4.7497 -4.7478 -3.7054 -3.7011 -1.8963 -1.8239 -1.5965 -1.5715 -1.4144 -1.3700 -1.0824 -1.0668 -0.2537 -0.1976 0.5166 0.5215 1.3655 1.3777 1.6199 1.6241 1.9219 1.9679 2.3007 2.3072 2.4924 2.4964 3.2055 3.2062 3.3221 3.3359 3.7494 3.7526 3.7785 3.7848 4.0529 4.0545 9.4139 9.4234 9.5279 9.5452 10.4366 10.4453 10.6031 10.6064 11.2066 11.2234 k =-0.3452 0.5594 0.0519 ( 5004 PWs) bands (ev): -13.1185 -13.1177 -12.9115 -12.9113 -12.0790 -12.0773 -10.6617 -10.6512 -9.6284 -9.6102 -9.4672 -9.4370 -4.7315 -4.7299 -3.7102 -3.7059 -1.8773 -1.8071 -1.6208 -1.5963 -1.4073 -1.3627 -1.0912 -1.0757 -0.2285 -0.1746 0.5194 0.5241 1.3572 1.3677 1.6223 1.6265 1.9222 1.9657 2.2797 2.2848 2.5112 2.5139 3.2013 3.2014 3.3290 3.3421 3.7472 3.7503 3.7797 3.7859 4.0493 4.0508 9.4075 9.4159 9.5190 9.5363 10.4398 10.4494 10.5579 10.5604 11.2372 11.2592 k =-0.3452 0.5594 0.0692 ( 5008 PWs) bands (ev): -13.1170 -13.1162 -12.9119 -12.9117 -12.0716 -12.0700 -10.6581 -10.6477 -9.6479 -9.6300 -9.4747 -9.4449 -4.7062 -4.7051 -3.7167 -3.7123 -1.8540 -1.7891 -1.6506 -1.6239 -1.3974 -1.3529 -1.1032 -1.0876 -0.1954 -0.1443 0.5233 0.5278 1.3458 1.3542 1.6255 1.6297 1.9222 1.9623 2.2549 2.2589 2.5324 2.5339 3.1957 3.1961 3.3377 3.3500 3.7441 3.7472 3.7813 3.7874 4.0442 4.0458 9.3995 9.4064 9.5066 9.5239 10.4418 10.4529 10.5061 10.5074 11.2728 11.2997 k =-0.3452 0.5594 0.0865 ( 5002 PWs) bands (ev): -13.1150 -13.1142 -12.9123 -12.9122 -12.0621 -12.0605 -10.6534 -10.6431 -9.6726 -9.6550 -9.4844 -9.4550 -4.6742 -4.6736 -3.7242 -3.7198 -1.8335 -1.7823 -1.6776 -1.6405 -1.3852 -1.3412 -1.1179 -1.1020 -0.1562 -0.1081 0.5284 0.5326 1.3315 1.3374 1.6296 1.6337 1.9214 1.9574 2.2280 2.2310 2.5545 2.5552 3.1894 3.1903 3.3476 3.3592 3.7402 3.7431 3.7832 3.7891 4.0378 4.0393 9.3907 9.3958 9.4906 9.5080 10.4240 10.4323 10.4704 10.4751 11.3123 11.3407 k =-0.3452 0.5594 0.1038 ( 4997 PWs) bands (ev): -13.1127 -13.1119 -12.9129 -12.9128 -12.0505 -12.0489 -10.6477 -10.6376 -9.7021 -9.6850 -9.4961 -9.4672 -4.6358 -4.6357 -3.7326 -3.7282 -1.8340 -1.8042 -1.6829 -1.6278 -1.3713 -1.3287 -1.1346 -1.1177 -0.1123 -0.0675 0.5346 0.5384 1.3146 1.3177 1.6343 1.6383 1.9194 1.9507 2.1999 2.2021 2.5770 2.5771 3.1829 3.1841 3.3583 3.3691 3.7354 3.7382 3.7852 3.7909 4.0300 4.0314 9.3822 9.3853 9.4713 9.4886 10.3698 10.3747 10.4704 10.4794 11.3545 11.3786 k =-0.3452 0.5594 0.1211 ( 4996 PWs) bands (ev): -13.1099 -13.1091 -12.9136 -12.9135 -12.0367 -12.0353 -10.6409 -10.6310 -9.7363 -9.7197 -9.5097 -9.4815 -4.5919 -4.5912 -3.7412 -3.7369 -1.8667 -1.8504 -1.6545 -1.5891 -1.3573 -1.3175 -1.1515 -1.1324 -0.0655 -0.0240 0.5419 0.5453 1.2954 1.2955 1.6394 1.6432 1.9156 1.9419 2.1714 2.1728 2.5989 2.5996 3.1764 3.1780 3.3694 3.3796 3.7297 3.7325 3.7871 3.7926 4.0209 4.0221 9.3748 9.3758 9.4488 9.4659 10.3089 10.3131 10.4784 10.4892 11.3960 11.4104 k =-0.3452 0.5594 0.1384 ( 4996 PWs) bands (ev): -13.1068 -13.1059 -12.9145 -12.9144 -12.0209 -12.0196 -10.6331 -10.6234 -9.7749 -9.7587 -9.5253 -9.4977 -4.5424 -4.5409 -3.7498 -3.7455 -1.9185 -1.9086 -1.6051 -1.5363 -1.3462 -1.3117 -1.1656 -1.1423 -0.0168 0.0213 0.5504 0.5533 1.2712 1.2740 1.6447 1.6482 1.9097 1.9307 2.1429 2.1437 2.6208 2.6220 3.1701 3.1719 3.3808 3.3903 3.7233 3.7259 3.7889 3.7941 4.0105 4.0116 9.3682 9.3694 9.4232 9.4400 10.2488 10.2528 10.4888 10.5008 11.4276 11.4338 k =-0.3452 0.5594 0.1557 ( 4993 PWs) bands (ev): -13.1033 -13.1024 -12.9155 -12.9154 -12.0031 -12.0018 -10.6243 -10.6148 -9.8173 -9.8018 -9.5427 -9.5159 -4.4877 -4.4853 -3.7578 -3.7537 -1.9792 -1.9730 -1.5446 -1.4745 -1.3429 -1.3164 -1.1718 -1.1418 0.0324 0.0672 0.5600 0.5624 1.2450 1.2507 1.6498 1.6529 1.9013 1.9168 2.1151 2.1152 2.6427 2.6443 3.1641 3.1660 3.3921 3.4010 3.7162 3.7185 3.7903 3.7952 3.9988 3.9998 9.3634 9.3664 9.3953 9.4111 10.1914 10.1955 10.5006 10.5135 11.4441 11.4470 k =-0.3452 0.5594 0.1730 ( 4995 PWs) bands (ev): -13.0994 -13.0986 -12.9166 -12.9165 -11.9831 -11.9819 -10.6144 -10.6051 -9.8633 -9.8484 -9.5618 -9.5359 -4.4281 -4.4248 -3.7648 -3.7610 -2.0446 -2.0413 -1.4775 -1.4061 -1.3517 -1.3342 -1.1650 -1.1283 0.0813 0.1130 0.5707 0.5725 1.2172 1.2257 1.6544 1.6569 1.8900 1.8998 2.0878 2.0883 2.6646 2.6665 3.1585 3.1605 3.4032 3.4115 3.7084 3.7105 3.7911 3.7957 3.9860 3.9868 9.3587 9.3618 9.3734 9.3802 10.1379 10.1421 10.5135 10.5273 11.4470 11.4489 k =-0.3452 0.5594 0.1903 ( 4989 PWs) bands (ev): -13.0952 -13.0944 -12.9178 -12.9178 -11.9611 -11.9600 -10.6034 -10.5944 -9.9126 -9.8983 -9.5826 -9.5576 -4.3641 -4.3599 -3.7706 -3.7670 -2.1130 -2.1118 -1.4127 -1.3660 -1.3640 -1.3318 -1.1447 -1.1035 0.1292 0.1577 0.5826 0.5838 1.1880 1.1991 1.6578 1.6597 1.8755 1.8797 2.0620 2.0631 2.6864 2.6886 3.1534 3.1554 3.4140 3.4217 3.7002 3.7019 3.7911 3.7954 3.9721 3.9727 9.3289 9.3447 9.3669 9.3760 10.0889 10.0934 10.5273 10.5419 11.4372 11.4394 k =-0.3452 0.5594 0.2076 ( 4989 PWs) bands (ev): -13.0908 -13.0899 -12.9192 -12.9192 -11.9371 -11.9361 -10.5914 -10.5827 -9.9647 -9.9511 -9.6050 -9.5809 -4.2962 -4.2910 -3.7749 -3.7716 -2.1838 -2.1832 -1.4172 -1.4013 -1.3164 -1.2539 -1.1140 -1.0704 0.1754 0.2009 0.5956 0.5960 1.1575 1.1710 1.6597 1.6608 1.8563 1.8577 2.0382 2.0399 2.7083 2.7108 3.1487 3.1507 3.4244 3.4315 3.6915 3.6929 3.7901 3.7941 3.9572 3.9576 9.2953 9.3103 9.3745 9.3860 10.0448 10.0495 10.5418 10.5572 11.4158 11.4191 k =-0.3452 0.5594 0.2249 ( 4991 PWs) bands (ev): -13.0860 -13.0851 -12.9208 -12.9208 -11.9110 -11.9102 -10.5782 -10.5699 -10.0194 -10.0063 -9.6288 -9.6056 -4.2247 -4.2185 -3.7772 -3.7744 -2.2566 -2.2545 -1.4556 -1.4450 -1.2364 -1.1719 -1.0758 -1.0312 0.2195 0.2419 0.6092 0.6097 1.1259 1.1416 1.6595 1.6597 1.8295 1.8363 2.0168 2.0189 2.7303 2.7329 3.1445 3.1464 3.4342 3.4408 3.6826 3.6836 3.7880 3.7916 3.9415 3.9416 9.2612 9.2749 9.3876 9.4014 10.0056 10.0104 10.5569 10.5730 11.3841 11.3891 k =-0.3452 0.5594 0.2422 ( 4993 PWs) bands (ev): -13.0810 -13.0801 -12.9225 -12.9225 -11.8829 -11.8822 -10.5641 -10.5561 -10.0762 -10.0638 -9.6539 -9.6318 -4.1501 -4.1430 -3.7776 -3.7752 -2.3298 -2.3263 -1.5012 -1.4934 -1.1516 -1.0869 -1.0316 -0.9869 0.2608 0.2804 0.6234 0.6248 1.0931 1.1107 1.6561 1.6569 1.7993 1.8115 1.9979 2.0003 2.7525 2.7552 3.1409 3.1427 3.4434 3.4495 3.6736 3.6741 3.7846 3.7878 3.9248 3.9249 9.2277 9.2400 9.4063 9.4221 9.9709 9.9760 10.5722 10.5890 11.3438 11.3507 k =-0.3452 0.5594 0.2595 ( 4996 PWs) bands (ev): -13.0757 -13.0749 -12.9244 -12.9244 -11.8529 -11.8523 -10.5488 -10.5412 -10.1349 -10.1231 -9.6802 -9.6592 -4.0727 -4.0646 -3.7756 -3.7738 -2.4028 -2.3983 -1.5514 -1.5458 -1.0644 -0.9994 -0.9823 -0.9383 0.2992 0.3160 0.6385 0.6408 1.0592 1.0784 1.6499 1.6518 1.7660 1.7831 1.9815 1.9841 2.7749 2.7777 3.1379 3.1396 3.4519 3.4575 3.6647 3.6647 3.7799 3.7826 3.9074 3.9078 9.1960 9.2066 9.4305 9.4483 9.9405 9.9457 10.5875 10.6049 11.2963 11.3052 k =-0.3452 0.5594 0.2768 ( 4992 PWs) bands (ev): -13.0703 -13.0694 -12.9265 -12.9264 -11.8208 -11.8204 -10.5325 -10.5253 -10.1951 -10.1840 -9.7076 -9.6877 -3.9930 -3.9840 -3.7713 -3.7700 -2.4755 -2.4699 -1.6055 -1.6017 -0.9765 -0.9272 -0.9099 -0.8858 0.3343 0.3483 0.6543 0.6577 1.0242 1.0448 1.6412 1.6443 1.7298 1.7513 1.9672 1.9697 2.7975 2.8005 3.1355 3.1371 3.4597 3.4649 3.6555 3.6560 3.7736 3.7758 3.8894 3.8901 9.1669 9.1757 9.4603 9.4800 9.9136 9.9190 10.6024 10.6205 11.2431 11.2539 k =-0.3452 0.5594 0.2941 ( 4989 PWs) bands (ev): -13.0647 -13.0638 -12.9288 -12.9287 -11.7869 -11.7866 -10.5151 -10.5084 -10.2566 -10.2461 -9.7360 -9.7172 -3.9113 -3.9014 -3.7645 -3.7637 -2.5474 -2.5411 -1.6628 -1.6607 -0.8937 -0.8619 -0.8299 -0.8191 0.3658 0.3771 0.6706 0.6752 0.9883 1.0099 1.6299 1.6348 1.6915 1.7162 1.9544 1.9566 2.8204 2.8234 3.1337 3.1351 3.4668 3.4716 3.6468 3.6479 3.7659 3.7676 3.8711 3.8721 9.1415 9.1483 9.4956 9.5170 9.8894 9.8951 10.6164 10.6351 11.1856 11.1980 k =-0.3452 0.5594 0.3114 ( 4993 PWs) bands (ev): -13.0589 -13.0580 -12.9313 -12.9311 -11.7510 -11.7509 -10.4966 -10.4904 -10.3191 -10.3092 -9.7652 -9.7476 -3.8281 -3.8171 -3.7550 -3.7546 -2.6185 -2.6115 -1.7231 -1.7225 -0.8237 -0.7792 -0.7706 -0.7276 0.3934 0.4021 0.6870 0.6929 0.9516 0.9738 1.6149 1.6240 1.6530 1.6781 1.9425 1.9441 2.8436 2.8466 3.1325 3.1337 3.4732 3.4776 3.6387 3.6403 3.7567 3.7578 3.8525 3.8539 9.1206 9.1254 9.5361 9.5591 9.8672 9.8733 10.6289 10.6483 11.1254 11.1389 k =-0.3452 0.5594 0.3287 ( 4989 PWs) bands (ev): -13.0530 -13.0521 -12.9340 -12.9338 -11.7133 -11.7132 -10.4771 -10.4715 -10.3822 -10.3729 -9.7952 -9.7787 -3.7495 -3.7430 -3.7369 -3.7314 -2.6884 -2.6808 -1.7869 -1.7860 -0.7579 -0.7083 -0.6887 -0.6358 0.4170 0.4230 0.7027 0.7097 0.9151 0.9372 1.5893 1.6125 1.6227 1.6377 1.9306 1.9314 2.8669 2.8699 3.1318 3.1327 3.4790 3.4831 3.6315 3.6336 3.7461 3.7466 3.8339 3.8355 9.1050 9.1076 9.5817 9.6060 9.8459 9.8525 10.6390 10.6592 11.0642 11.0783 k =-0.3452 0.5594 0.3460 ( 4989 PWs) bands (ev): -13.0470 -13.0461 -12.9369 -12.9366 -11.6738 -11.6735 -10.4573 -10.4533 -10.4441 -10.4365 -9.8257 -9.8104 -3.7299 -3.7280 -3.6564 -3.6450 -2.7570 -2.7490 -1.8536 -1.8514 -0.6908 -0.6431 -0.5967 -0.5443 0.4361 0.4395 0.7157 0.7233 0.8808 0.9017 1.5492 1.5915 1.6048 1.6056 1.9177 1.9178 2.8902 2.8933 3.1316 3.1322 3.4842 3.4881 3.6252 3.6278 3.7340 3.7342 3.8153 3.8172 9.0952 9.0956 9.6320 9.6574 9.8245 9.8317 10.6461 10.6672 11.0039 11.0180 k =-0.3452 0.5594 0.3633 ( 4990 PWs) bands (ev): -13.0410 -13.0401 -12.9400 -12.9397 -11.6326 -11.6320 -10.5103 -10.5023 -10.4344 -10.4300 -9.8568 -9.8427 -3.7126 -3.7103 -3.5699 -3.5577 -2.8242 -2.8159 -1.9226 -1.9190 -0.6214 -0.5753 -0.5050 -0.4537 0.4505 0.4513 0.7215 0.7275 0.8548 0.8715 1.5038 1.5480 1.5939 1.5940 1.9025 1.9036 2.9134 2.9166 3.1317 3.1320 3.4890 3.4928 3.6200 3.6231 3.7202 3.7211 3.7968 3.7990 9.0899 9.0916 9.6864 9.7129 9.8018 9.8098 10.6490 10.6713 10.9464 10.9598 k =-0.3452 0.5594 0.3806 ( 4999 PWs) bands (ev): -13.0349 -13.0340 -12.9433 -12.9430 -11.5895 -11.5887 -10.5743 -10.5668 -10.4119 -10.4081 -9.8882 -9.8752 -3.6928 -3.6899 -3.4828 -3.4700 -2.8898 -2.8812 -1.9936 -1.9887 -0.5497 -0.5052 -0.4143 -0.3646 0.4581 0.4599 0.7119 0.7127 0.8464 0.8547 1.4567 1.5017 1.5855 1.5863 1.8853 1.8876 2.9364 2.9396 3.1319 3.1319 3.4936 3.4973 3.6161 3.6197 3.7053 3.7070 3.7786 3.7812 9.0908 9.0945 9.7441 9.7716 9.7772 9.7860 10.6468 10.6705 10.8937 10.9057 k =-0.3452 0.5594 0.3979 ( 5005 PWs) bands (ev): -13.0288 -13.0280 -12.9468 -12.9464 -11.5447 -11.5437 -10.6383 -10.6313 -10.3883 -10.3851 -9.9199 -9.9081 -3.6701 -3.6667 -3.3952 -3.3820 -2.9536 -2.9449 -2.0664 -2.0604 -0.4758 -0.4330 -0.3254 -0.2776 0.4596 0.4640 0.6782 0.6820 0.8560 0.8561 1.4092 1.4546 1.5799 1.5814 1.8661 1.8694 2.9588 2.9621 3.1317 3.1322 3.4981 3.5020 3.6136 3.6175 3.6897 3.6921 3.7609 3.7637 9.0984 9.1042 9.7470 9.7578 9.8071 9.8343 10.6385 10.6638 10.8479 10.8578 k =-0.3452 0.5594 0.4152 ( 4993 PWs) bands (ev): -13.0227 -13.0219 -12.9505 -12.9501 -11.4982 -11.4969 -10.7021 -10.6955 -10.3637 -10.3612 -9.9517 -9.9410 -3.6447 -3.6406 -3.3075 -3.2939 -3.0156 -3.0069 -2.1410 -2.1338 -0.4000 -0.3591 -0.2390 -0.1931 0.4553 0.4623 0.6321 0.6370 0.8699 0.8759 1.3619 1.4070 1.5777 1.5799 1.8447 1.8490 2.9805 2.9840 3.1312 3.1321 3.5029 3.5069 3.6125 3.6167 3.6735 3.6766 3.7437 3.7467 9.1128 9.1206 9.7141 9.7260 9.8711 9.8989 10.6236 10.6506 10.8103 10.8178 k =-0.3452 0.5594 0.4325 ( 4988 PWs) bands (ev): -13.0167 -13.0159 -12.9545 -12.9541 -11.4500 -11.4485 -10.7654 -10.7593 -10.3381 -10.3363 -9.9835 -9.9740 -3.6166 -3.6119 -3.2200 -3.2060 -3.0756 -3.0669 -2.2172 -2.2090 -0.3225 -0.2838 -0.1555 -0.1119 0.4449 0.4546 0.5792 0.5830 0.8906 0.9007 1.3156 1.3597 1.5792 1.5819 1.8213 1.8265 3.0013 3.0049 3.1301 3.1315 3.5082 3.5125 3.6128 3.6173 3.6571 3.6607 3.7271 3.7304 9.1339 9.1435 9.6760 9.6892 9.9373 9.9655 10.6018 10.6301 10.7817 10.7869 k =-0.3452 0.5594 0.4498 ( 4994 PWs) bands (ev): -13.0107 -13.0100 -12.9587 -12.9582 -11.4002 -11.3984 -10.8281 -10.8226 -10.3115 -10.3105 -10.0153 -10.0069 -3.5856 -3.5804 -3.1394 -3.1268 -3.1267 -3.1168 -2.2949 -2.2857 -0.2437 -0.2074 -0.0757 -0.0344 0.4280 0.4403 0.5218 0.5232 0.9152 0.9287 1.2704 1.3130 1.5845 1.5879 1.7963 1.8021 3.0209 3.0247 3.1281 3.1300 3.5143 3.5189 3.6144 3.6194 3.6406 3.6446 3.7113 3.7149 9.1615 9.1727 9.6332 9.6475 10.0048 10.0332 10.5733 10.6021 10.7625 10.7659 k =-0.3452 0.5594 0.4671 ( 4992 PWs) bands (ev): -13.0049 -13.0041 -12.9631 -12.9625 -11.3489 -11.3468 -10.8902 -10.8851 -10.2841 -10.2839 -10.0470 -10.0396 -3.5520 -3.5462 -3.1902 -3.1813 -3.0448 -3.0311 -2.3740 -2.3639 -0.1641 -0.1304 -0.0001 0.0388 0.4034 0.4180 0.4599 0.4619 0.9423 0.9590 1.2269 1.2673 1.5937 1.5977 1.7701 1.7764 3.0392 3.0431 3.1249 3.1272 3.5214 3.5264 3.6164 3.6225 3.6256 3.6290 3.6964 3.7001 9.1950 9.2077 9.5860 9.6013 10.0729 10.1014 10.5379 10.5668 10.7528 10.7551 k =-0.3452 0.5594 0.4844 ( 4989 PWs) bands (ev): -12.9991 -12.9984 -12.9677 -12.9671 -11.2960 -11.2936 -10.9514 -10.9467 -10.2565 -10.2559 -10.0783 -10.0720 -3.5156 -3.5093 -3.2438 -3.2352 -2.9582 -2.9445 -2.4544 -2.4435 -0.0841 -0.0531 0.0707 0.1072 0.3665 0.3800 0.3989 0.4079 0.9716 0.9913 1.1850 1.2229 1.6067 1.6114 1.7433 1.7499 3.0560 3.0600 3.1202 3.1231 3.5298 3.5351 3.6064 3.6124 3.6243 3.6283 3.6824 3.6864 9.2341 9.2481 9.5354 9.5515 10.1409 10.1693 10.4959 10.5246 10.7526 10.7542 k =-0.3452 0.5594 0.5017 ( 4987 PWs) bands (ev): -12.9935 -12.9927 -12.9724 -12.9719 -11.2418 -11.2390 -11.0118 -11.0075 -10.2284 -10.2269 -10.1093 -10.1040 -3.4766 -3.4698 -3.2952 -3.2868 -2.8722 -2.8587 -2.5359 -2.5243 -0.0042 0.0238 0.1355 0.1703 0.3078 0.3186 0.3509 0.3681 1.0027 1.0255 1.1449 1.1800 1.6234 1.6287 1.7165 1.7232 3.0712 3.0752 3.1140 3.1172 3.5396 3.5451 3.5913 3.5972 3.6302 3.6346 3.6694 3.6736 9.2780 9.2931 9.4828 9.4994 10.2079 10.2362 10.4476 10.4760 10.7615 10.7625 k =-0.3452 0.5594 0.5190 ( 4980 PWs) bands (ev): -12.9880 -12.9873 -12.9774 -12.9768 -11.1861 -11.1830 -11.0710 -11.0672 -10.1995 -10.1971 -10.1399 -10.1356 -3.4350 -3.4277 -3.3442 -3.3362 -2.7868 -2.7736 -2.6186 -2.6063 0.0747 0.0999 0.1873 0.2248 0.2442 0.2521 0.3066 0.3274 1.0356 1.0615 1.1067 1.1388 1.6432 1.6491 1.6904 1.6970 3.0846 3.0885 3.1060 3.1096 3.5507 3.5565 3.5767 3.5827 3.6380 3.6424 3.6577 3.6620 9.3259 9.3418 9.4295 9.4461 10.2730 10.3012 10.3938 10.4220 10.7786 10.7792 k =-0.3452 0.5594 0.5363 ( 4974 PWs) bands (ev): -12.9826 -12.9826 -12.9819 -12.9819 -11.1292 -11.1292 -11.1257 -11.1257 -10.1700 -10.1700 -10.1667 -10.1667 -3.3909 -3.3909 -3.3832 -3.3832 -2.7022 -2.7022 -2.6895 -2.6895 0.1504 0.1504 0.1744 0.1744 0.2599 0.2599 0.2816 0.2816 1.0702 1.0702 1.0992 1.0992 1.6658 1.6658 1.6721 1.6721 3.0962 3.0962 3.1000 3.1000 3.5631 3.5631 3.5690 3.5690 3.6472 3.6472 3.6516 3.6516 9.3768 9.3768 9.3932 9.3932 10.3353 10.3353 10.3634 10.3634 10.8032 10.8032 k =-0.3452 0.5594 0.5363 ( 4974 PWs) bands (ev): -12.9826 -12.9826 -12.9819 -12.9819 -11.1292 -11.1292 -11.1257 -11.1257 -10.1700 -10.1700 -10.1667 -10.1667 -3.3909 -3.3909 -3.3832 -3.3832 -2.7022 -2.7022 -2.6895 -2.6895 0.1504 0.1504 0.1744 0.1744 0.2599 0.2599 0.2816 0.2816 1.0702 1.0702 1.0992 1.0992 1.6658 1.6658 1.6721 1.6721 3.0962 3.0962 3.1000 3.1000 3.5631 3.5631 3.5690 3.5690 3.6472 3.6472 3.6516 3.6516 9.3768 9.3768 9.3932 9.3932 10.3353 10.3353 10.3634 10.3634 10.8032 10.8032 k =-0.3543 0.5447 0.5363 ( 4974 PWs) bands (ev): -12.9777 -12.9777 -12.9771 -12.9771 -11.1575 -11.1575 -11.1542 -11.1542 -10.1404 -10.1404 -10.1371 -10.1371 -3.4593 -3.4593 -3.4524 -3.4524 -2.6453 -2.6453 -2.6325 -2.6325 0.1586 0.1586 0.1827 0.1827 0.2670 0.2670 0.2867 0.2867 1.0727 1.0727 1.1006 1.1006 1.6724 1.6724 1.6788 1.6788 3.0841 3.0841 3.0878 3.0878 3.5475 3.5475 3.5531 3.5531 3.6648 3.6648 3.6692 3.6692 9.3563 9.3563 9.3725 9.3725 10.3380 10.3380 10.3648 10.3648 10.8167 10.8167 k =-0.3634 0.5299 0.5363 ( 4974 PWs) bands (ev): -12.9731 -12.9731 -12.9725 -12.9725 -11.1842 -11.1842 -11.1811 -11.1811 -10.1114 -10.1114 -10.1082 -10.1082 -3.5254 -3.5254 -3.5193 -3.5193 -2.5912 -2.5912 -2.5784 -2.5784 0.1671 0.1671 0.1913 0.1913 0.2738 0.2738 0.2914 0.2914 1.0737 1.0737 1.1002 1.1002 1.6807 1.6807 1.6870 1.6870 3.0710 3.0710 3.0745 3.0745 3.5328 3.5328 3.5381 3.5381 3.6837 3.6837 3.6880 3.6880 9.3338 9.3338 9.3498 9.3498 10.3403 10.3403 10.3657 10.3657 10.8340 10.8340 k =-0.3725 0.5151 0.5363 ( 4978 PWs) bands (ev): -12.9688 -12.9688 -12.9682 -12.9682 -11.2094 -11.2094 -11.2065 -11.2065 -10.0832 -10.0832 -10.0801 -10.0801 -3.5890 -3.5890 -3.5836 -3.5836 -2.5399 -2.5399 -2.5273 -2.5273 0.1761 0.1761 0.2002 0.2002 0.2802 0.2802 0.2958 0.2958 1.0731 1.0731 1.0982 1.0982 1.6903 1.6903 1.6966 1.6966 3.0571 3.0571 3.0604 3.0604 3.5191 3.5191 3.5240 3.5240 3.7034 3.7034 3.7076 3.7076 9.3100 9.3100 9.3255 9.3255 10.3428 10.3428 10.3666 10.3666 10.8544 10.8544 k =-0.3816 0.5004 0.5363 ( 4994 PWs) bands (ev): -12.9647 -12.9647 -12.9642 -12.9642 -11.2330 -11.2330 -11.2303 -11.2303 -10.0559 -10.0559 -10.0529 -10.0529 -3.6498 -3.6498 -3.6450 -3.6450 -2.4917 -2.4917 -2.4793 -2.4793 0.1854 0.1854 0.2094 0.2094 0.2863 0.2863 0.2999 0.2999 1.0710 1.0710 1.0947 1.0947 1.7011 1.7011 1.7072 1.7072 3.0426 3.0426 3.0456 3.0456 3.5064 3.5064 3.5110 3.5110 3.7237 3.7237 3.7277 3.7277 9.2853 9.2853 9.3002 9.3002 10.3459 10.3459 10.3681 10.3681 10.8773 10.8773 k =-0.3907 0.4856 0.5363 ( 5010 PWs) bands (ev): -12.9610 -12.9610 -12.9605 -12.9605 -11.2550 -11.2550 -11.2524 -11.2524 -10.0297 -10.0297 -10.0269 -10.0269 -3.7075 -3.7075 -3.7032 -3.7032 -2.4466 -2.4466 -2.4346 -2.4346 0.1952 0.1952 0.2188 0.2188 0.2922 0.2922 0.3037 0.3037 1.0676 1.0676 1.0896 1.0896 1.7127 1.7127 1.7187 1.7187 3.0276 3.0276 3.0304 3.0304 3.4947 3.4947 3.4990 3.4990 3.7443 3.7443 3.7481 3.7481 9.2604 9.2604 9.2746 9.2746 10.3499 10.3499 10.3706 10.3706 10.9019 10.9019 k =-0.3998 0.4709 0.5363 ( 5006 PWs) bands (ev): -12.9575 -12.9575 -12.9571 -12.9571 -11.2753 -11.2753 -11.2729 -11.2729 -10.0047 -10.0047 -10.0021 -10.0021 -3.7617 -3.7617 -3.7580 -3.7580 -2.4047 -2.4047 -2.3932 -2.3932 0.2052 0.2052 0.2284 0.2284 0.2977 0.2977 0.3073 0.3073 1.0628 1.0628 1.0832 1.0832 1.7249 1.7249 1.7308 1.7308 3.0125 3.0125 3.0151 3.0151 3.4840 3.4840 3.4880 3.4880 3.7648 3.7648 3.7683 3.7683 9.2358 9.2358 9.2492 9.2492 10.3552 10.3552 10.3743 10.3743 10.9275 10.9275 k =-0.4089 0.4561 0.5363 ( 5006 PWs) bands (ev): -12.9544 -12.9544 -12.9540 -12.9540 -11.2939 -11.2939 -11.2917 -11.2917 -9.9812 -9.9812 -9.9787 -9.9787 -3.8123 -3.8123 -3.8091 -3.8091 -2.3662 -2.3662 -2.3553 -2.3553 0.2154 0.2154 0.2380 0.2380 0.3031 0.3031 0.3107 0.3107 1.0570 1.0570 1.0757 1.0757 1.7375 1.7375 1.7431 1.7431 2.9974 2.9974 2.9998 2.9998 3.4743 3.4743 3.4780 3.4780 3.7850 3.7850 3.7882 3.7882 9.2120 9.2120 9.2244 9.2244 10.3618 10.3618 10.3793 10.3793 10.9533 10.9533 k =-0.4180 0.4413 0.5363 ( 5002 PWs) bands (ev): -12.9515 -12.9515 -12.9511 -12.9511 -11.3107 -11.3107 -11.3088 -11.3088 -9.9593 -9.9593 -9.9570 -9.9570 -3.8589 -3.8589 -3.8561 -3.8561 -2.3311 -2.3311 -2.3208 -2.3208 0.2256 0.2256 0.2474 0.2474 0.3082 0.3082 0.3140 0.3140 1.0503 1.0503 1.0673 1.0673 1.7501 1.7501 1.7554 1.7554 2.9827 2.9827 2.9848 2.9848 3.4656 3.4656 3.4689 3.4689 3.8044 3.8044 3.8073 3.8073 9.1893 9.1893 9.2008 9.2008 10.3698 10.3698 10.3856 10.3856 10.9788 10.9788 k =-0.4271 0.4266 0.5363 ( 5000 PWs) bands (ev): -12.9489 -12.9489 -12.9486 -12.9486 -11.3259 -11.3259 -11.3241 -11.3241 -9.9392 -9.9392 -9.9371 -9.9371 -3.9013 -3.9013 -3.8990 -3.8990 -2.2994 -2.2994 -2.2900 -2.2900 0.2356 0.2356 0.2564 0.2564 0.3132 0.3132 0.3173 0.3173 1.0431 1.0431 1.0582 1.0582 1.7625 1.7625 1.7673 1.7673 2.9686 2.9686 2.9705 2.9705 3.4578 3.4578 3.4609 3.4609 3.8228 3.8228 3.8253 3.8253 9.1683 9.1683 9.1786 9.1786 10.3790 10.3790 10.3932 10.3932 11.0033 11.0033 k =-0.4363 0.4118 0.5363 ( 5004 PWs) bands (ev): -12.9467 -12.9467 -12.9464 -12.9464 -11.3393 -11.3393 -11.3377 -11.3377 -9.9210 -9.9210 -9.9191 -9.9191 -3.9393 -3.9393 -3.9374 -3.9374 -2.2713 -2.2713 -2.2628 -2.2628 0.2452 0.2452 0.2646 0.2646 0.3180 0.3180 0.3207 0.3207 1.0357 1.0357 1.0490 1.0490 1.7743 1.7743 1.7787 1.7787 2.9554 2.9554 2.9570 2.9570 3.4510 3.4510 3.4537 3.4537 3.8398 3.8398 3.8421 3.8421 9.1490 9.1490 9.1582 9.1582 10.3893 10.3893 10.4017 10.4017 11.0263 11.0263 k =-0.4454 0.3971 0.5363 ( 5008 PWs) bands (ev): -12.9447 -12.9447 -12.9444 -12.9444 -11.3509 -11.3509 -11.3496 -11.3496 -9.9049 -9.9049 -9.9033 -9.9033 -3.9727 -3.9727 -3.9711 -3.9711 -2.2467 -2.2467 -2.2393 -2.2393 0.2542 0.2542 0.2717 0.2717 0.3226 0.3226 0.3241 0.3241 1.0284 1.0284 1.0397 1.0397 1.7853 1.7853 1.7892 1.7892 2.9433 2.9433 2.9447 2.9447 3.4452 3.4452 3.4475 3.4475 3.8552 3.8552 3.8571 3.8571 9.1319 9.1319 9.1399 9.1399 10.4001 10.4001 10.4109 10.4109 11.0474 11.0474 k =-0.4545 0.3823 0.5363 ( 5020 PWs) bands (ev): -12.9430 -12.9430 -12.9428 -12.9428 -11.3607 -11.3607 -11.3596 -11.3596 -9.8910 -9.8910 -9.8896 -9.8896 -4.0013 -4.0013 -4.0000 -4.0000 -2.2258 -2.2258 -2.2194 -2.2194 0.2622 0.2622 0.2776 0.2776 0.3270 0.3270 0.3277 0.3277 1.0215 1.0215 1.0310 1.0310 1.7952 1.7952 1.7986 1.7986 2.9326 2.9326 2.9337 2.9337 3.4403 3.4403 3.4423 3.4423 3.8687 3.8687 3.8703 3.8703 9.1172 9.1172 9.1239 9.1239 10.4110 10.4110 10.4200 10.4200 11.0659 11.0660 k =-0.4636 0.3675 0.5363 ( 5016 PWs) bands (ev): -12.9417 -12.9417 -12.9415 -12.9415 -11.3688 -11.3688 -11.3679 -11.3679 -9.8794 -9.8794 -9.8783 -9.8783 -4.0249 -4.0249 -4.0239 -4.0239 -2.2085 -2.2085 -2.2033 -2.2033 0.2692 0.2692 0.2819 0.2819 0.3310 0.3310 0.3312 0.3312 1.0154 1.0154 1.0230 1.0230 1.8038 1.8038 1.8065 1.8065 2.9235 2.9235 2.9244 2.9244 3.4364 3.4364 3.4380 3.4380 3.8801 3.8801 3.8814 3.8814 9.1051 9.1051 9.1104 9.1104 10.4214 10.4214 10.4287 10.4287 11.0817 11.0817 k =-0.4727 0.3528 0.5363 ( 5030 PWs) bands (ev): -12.9406 -12.9406 -12.9405 -12.9405 -11.3750 -11.3750 -11.3743 -11.3743 -9.8702 -9.8702 -9.8694 -9.8694 -4.0434 -4.0434 -4.0426 -4.0426 -2.1948 -2.1948 -2.1909 -2.1909 0.2751 0.2751 0.2848 0.2848 0.3344 0.3344 0.3345 0.3345 1.0104 1.0104 1.0162 1.0162 1.8108 1.8108 1.8129 1.8129 2.9162 2.9162 2.9168 2.9168 3.4333 3.4333 3.4345 3.4345 3.8892 3.8892 3.8902 3.8902 9.0956 9.0956 9.0997 9.0997 10.4307 10.4307 10.4361 10.4361 11.0944 11.0944 k =-0.4818 0.3380 0.5363 ( 5024 PWs) bands (ev): -12.9398 -12.9398 -12.9397 -12.9397 -11.3794 -11.3794 -11.3790 -11.3790 -9.8636 -9.8636 -9.8630 -9.8630 -4.0566 -4.0566 -4.0562 -4.0562 -2.1849 -2.1849 -2.1822 -2.1822 0.2797 0.2797 0.2863 0.2863 0.3370 0.3370 0.3371 0.3371 1.0070 1.0070 1.0108 1.0108 1.8160 1.8160 1.8175 1.8175 2.9109 2.9109 2.9113 2.9113 3.4312 3.4312 3.4320 3.4320 3.8959 3.8959 3.8965 3.8965 9.0890 9.0890 9.0917 9.0917 10.4381 10.4381 10.4418 10.4418 11.1037 11.1037 k =-0.4909 0.3233 0.5363 ( 5016 PWs) bands (ev): -12.9394 -12.9394 -12.9393 -12.9393 -11.3821 -11.3821 -11.3818 -11.3818 -9.8595 -9.8595 -9.8592 -9.8592 -4.0646 -4.0646 -4.0643 -4.0643 -2.1786 -2.1786 -2.1773 -2.1773 0.2832 0.2832 0.2865 0.2865 0.3388 0.3388 0.3388 0.3388 1.0051 1.0051 1.0071 1.0071 1.8194 1.8194 1.8201 1.8201 2.9077 2.9077 2.9079 2.9079 3.4301 3.4301 3.4305 3.4305 3.9000 3.9000 3.9003 3.9003 9.0852 9.0852 9.0866 9.0866 10.4432 10.4432 10.4450 10.4450 11.1095 11.1095 k =-0.5000 0.3085 0.5363 ( 5024 PWs) bands (ev): -12.9392 -12.9392 -12.9392 -12.9392 -11.3829 -11.3829 -11.3829 -11.3829 -9.8581 -9.8581 -9.8581 -9.8581 -4.0671 -4.0671 -4.0671 -4.0671 -2.1761 -2.1761 -2.1761 -2.1761 0.2854 0.2854 0.2854 0.2854 0.3394 0.3394 0.3394 0.3394 1.0052 1.0052 1.0052 1.0052 1.8208 1.8208 1.8208 1.8208 2.9067 2.9067 2.9067 2.9067 3.4298 3.4298 3.4298 3.4298 3.9014 3.9014 3.9014 3.9014 9.0844 9.0844 9.0844 9.0844 10.4455 10.4455 10.4455 10.4455 11.1116 11.1116 k =-0.5000 0.3085 0.5363 ( 5024 PWs) bands (ev): -12.9392 -12.9392 -12.9392 -12.9392 -11.3829 -11.3829 -11.3829 -11.3829 -9.8581 -9.8581 -9.8581 -9.8581 -4.0671 -4.0671 -4.0671 -4.0671 -2.1761 -2.1761 -2.1761 -2.1761 0.2854 0.2854 0.2854 0.2854 0.3394 0.3394 0.3394 0.3394 1.0052 1.0052 1.0052 1.0052 1.8208 1.8208 1.8208 1.8208 2.9067 2.9067 2.9067 2.9067 3.4298 3.4298 3.4298 3.4298 3.9014 3.9014 3.9014 3.9014 9.0844 9.0844 9.0844 9.0844 10.4455 10.4455 10.4455 10.4455 11.1116 11.1116 k =-0.5000 0.3085 0.5190 ( 5014 PWs) bands (ev): -12.9417 -12.9417 -12.9368 -12.9368 -11.4424 -11.4424 -11.3220 -11.3220 -9.8617 -9.8617 -9.8546 -9.8546 -4.0670 -4.0670 -4.0637 -4.0637 -2.2835 -2.2835 -2.0713 -2.0713 0.2451 0.2451 0.2915 0.2915 0.3322 0.3322 0.3760 0.3760 0.9577 0.9577 1.0547 1.0547 1.8114 1.8114 1.8282 1.8282 2.8913 2.8913 2.9205 2.9205 3.4220 3.4220 3.4394 3.4394 3.8937 3.8937 3.9102 3.9102 9.0797 9.0797 9.0972 9.0972 10.4360 10.4360 10.4463 10.4463 11.0697 11.0697 k =-0.5000 0.3085 0.5017 ( 5018 PWs) bands (ev): -12.9443 -12.9443 -12.9345 -12.9345 -11.5005 -11.5005 -11.2598 -11.2598 -9.8656 -9.8656 -9.8512 -9.8512 -4.0634 -4.0634 -4.0567 -4.0567 -2.3932 -2.3932 -1.9693 -1.9693 0.1949 0.1949 0.2757 0.2757 0.3324 0.3324 0.4270 0.4270 0.9134 0.9134 1.1057 1.1057 1.7997 1.7997 1.8340 1.8340 2.8743 2.8743 2.9328 2.9328 3.4162 3.4162 3.4507 3.4507 3.8870 3.8870 3.9200 3.9200 9.0829 9.0829 9.1179 9.1179 10.4168 10.4168 10.4394 10.4394 11.0297 11.0297 k =-0.5000 0.3085 0.4844 ( 5026 PWs) bands (ev): -12.9471 -12.9471 -12.9323 -12.9323 -11.5572 -11.5572 -11.1965 -11.1965 -9.8695 -9.8695 -9.8481 -9.8481 -4.0563 -4.0563 -4.0463 -4.0463 -2.5048 -2.5048 -1.8705 -1.8705 0.1439 0.1439 0.2518 0.2518 0.3287 0.3287 0.4789 0.4789 0.8740 0.8740 1.1578 1.1578 1.7856 1.7856 1.8388 1.8388 2.8561 2.8561 2.9436 2.9436 3.4122 3.4122 3.4633 3.4633 3.8816 3.8816 3.9306 3.9306 9.0938 9.0938 9.1466 9.1466 10.3876 10.3876 10.4260 10.4260 10.9918 10.9918 k =-0.5000 0.3085 0.4671 ( 5024 PWs) bands (ev): -12.9499 -12.9499 -12.9302 -12.9302 -11.6122 -11.6122 -11.1321 -11.1321 -9.8736 -9.8736 -9.8451 -9.8451 -4.0456 -4.0456 -4.0323 -4.0323 -2.6181 -2.6181 -1.7749 -1.7749 0.0939 0.0939 0.2224 0.2224 0.3191 0.3191 0.5258 0.5258 0.8433 0.8433 1.2108 1.2108 1.7689 1.7689 1.8431 1.8431 2.8369 2.8369 2.9532 2.9532 3.4099 3.4099 3.4766 3.4766 3.8774 3.8774 3.9420 3.9420 9.1120 9.1120 9.1830 9.1830 10.3484 10.3484 10.4075 10.4075 10.9564 10.9564 k =-0.5000 0.3085 0.4498 ( 5016 PWs) bands (ev): -12.9527 -12.9527 -12.9283 -12.9283 -11.6657 -11.6657 -11.0668 -11.0668 -9.8778 -9.8778 -9.8423 -9.8423 -4.0315 -4.0315 -4.0150 -4.0150 -2.7327 -2.7327 -1.6830 -1.6830 0.0454 0.0454 0.1881 0.1881 0.3030 0.3030 0.5601 0.5601 0.8284 0.8284 1.2643 1.2643 1.7499 1.7499 1.8476 1.8476 2.8170 2.8170 2.9617 2.9617 3.4090 3.4090 3.4903 3.4903 3.8745 3.8745 3.9541 3.9541 9.1372 9.1372 9.2269 9.2269 10.3000 10.3000 10.3849 10.3849 10.9238 10.9238 k =-0.5000 0.3085 0.4325 ( 5024 PWs) bands (ev): -12.9557 -12.9557 -12.9265 -12.9265 -11.7175 -11.7175 -11.0006 -11.0006 -9.8821 -9.8821 -9.8397 -9.8397 -4.0140 -4.0140 -3.9943 -3.9943 -2.8481 -2.8481 -1.5947 -1.5947 -0.0013 -0.0013 0.1493 0.1493 0.2802 0.2802 0.5729 0.5729 0.8378 0.8378 1.3181 1.3181 1.7286 1.7286 1.8529 1.8529 2.7969 2.7969 2.9695 2.9695 3.4092 3.4092 3.5037 3.5037 3.8730 3.8730 3.9668 3.9668 9.1689 9.1689 9.2778 9.2778 10.2433 10.2433 10.3590 10.3590 10.8945 10.8945 k =-0.5000 0.3085 0.4152 ( 5006 PWs) bands (ev): -12.9587 -12.9587 -12.9248 -12.9248 -11.7676 -11.7676 -10.9337 -10.9337 -9.8864 -9.8864 -9.8372 -9.8372 -3.9931 -3.9931 -3.9702 -3.9702 -2.9642 -2.9642 -1.5102 -1.5102 -0.0463 -0.0463 0.1063 0.1063 0.2505 0.2505 0.5630 0.5630 0.8724 0.8724 1.3720 1.3720 1.7054 1.7054 1.8595 1.8595 2.7768 2.7768 2.9767 2.9767 3.4101 3.4101 3.5164 3.5164 3.8730 3.8730 3.9800 3.9800 9.2063 9.2063 9.3354 9.3354 10.1796 10.1796 10.3309 10.3309 10.8688 10.8688 k =-0.5000 0.3085 0.3979 ( 5004 PWs) bands (ev): -12.9617 -12.9617 -12.9232 -12.9232 -11.8159 -11.8159 -10.8662 -10.8662 -9.8908 -9.8908 -9.8350 -9.8350 -3.9689 -3.9689 -3.9430 -3.9430 -3.0804 -3.0804 -1.4297 -1.4297 -0.0894 -0.0894 0.0590 0.0590 0.2140 0.2140 0.5385 0.5385 0.9238 0.9238 1.4258 1.4258 1.6808 1.6808 1.8678 1.8678 2.7570 2.7570 2.9836 2.9836 3.4115 3.4115 3.5280 3.5280 3.8744 3.8744 3.9936 3.9936 9.2488 9.2488 9.3991 9.3991 10.1102 10.1102 10.3010 10.3010 10.8472 10.8472 k =-0.5000 0.3085 0.3806 ( 5000 PWs) bands (ev): -12.9647 -12.9647 -12.9218 -12.9218 -11.8624 -11.8624 -10.7983 -10.7983 -9.8952 -9.8952 -9.8329 -9.8329 -3.9416 -3.9416 -3.9126 -3.9126 -3.1965 -3.1965 -1.3531 -1.3531 -0.1307 -0.1307 0.0079 0.0079 0.1708 0.1708 0.5071 0.5071 0.9843 0.9843 1.4792 1.4792 1.6552 1.6552 1.8782 1.8782 2.7379 2.7379 2.9902 2.9902 3.4131 3.4131 3.5380 3.5380 3.8773 3.8773 4.0075 4.0075 9.2954 9.2954 9.4682 9.4682 10.0363 10.0363 10.2700 10.2700 10.8303 10.8303 k =-0.5000 0.3085 0.3633 ( 5004 PWs) bands (ev): -12.9678 -12.9678 -12.9205 -12.9205 -11.9071 -11.9071 -10.7302 -10.7302 -9.8996 -9.8996 -9.8310 -9.8310 -3.9111 -3.9111 -3.8792 -3.8792 -3.3120 -3.3120 -1.2805 -1.2805 -0.1701 -0.1701 -0.0471 -0.0471 0.1212 0.1212 0.4727 0.4727 1.0495 1.0495 1.5314 1.5314 1.6296 1.6296 1.8910 1.8910 2.7194 2.7194 2.9968 2.9968 3.4146 3.4146 3.5461 3.5461 3.8817 3.8817 4.0216 4.0216 9.3454 9.3454 9.5422 9.5422 9.9591 9.9591 10.2383 10.2383 10.8185 10.8185 k =-0.5000 0.3085 0.3460 ( 5004 PWs) bands (ev): -12.9708 -12.9708 -12.9194 -12.9194 -11.9498 -11.9498 -10.6620 -10.6620 -9.9041 -9.9041 -9.8293 -9.8293 -3.8777 -3.8777 -3.8430 -3.8430 -3.4265 -3.4265 -1.2120 -1.2120 -0.2079 -0.2079 -0.1054 -0.1054 0.0658 0.0658 0.4373 0.4373 1.1171 1.1171 1.5762 1.5762 1.6106 1.6106 1.9062 1.9062 2.7019 2.7019 3.0033 3.0033 3.4160 3.4160 3.5521 3.5521 3.8876 3.8876 4.0358 4.0358 9.3975 9.3975 9.6204 9.6204 9.8796 9.8796 10.2064 10.2064 10.8125 10.8125 k =-0.5000 0.3085 0.3287 ( 5008 PWs) bands (ev): -12.9739 -12.9739 -12.9183 -12.9183 -11.9907 -11.9907 -10.5940 -10.5940 -9.9084 -9.9084 -9.8278 -9.8278 -3.8415 -3.8415 -3.8039 -3.8039 -3.5397 -3.5397 -1.1474 -1.1474 -0.2442 -0.2442 -0.1668 -0.1668 0.0051 0.0051 0.4021 0.4021 1.1856 1.1856 1.5691 1.5691 1.6427 1.6427 1.9238 1.9238 2.6853 2.6853 3.0097 3.0097 3.4170 3.4170 3.5558 3.5558 3.8950 3.8950 4.0501 4.0501 9.4508 9.4508 9.7019 9.7019 9.7987 9.7987 10.1746 10.1746 10.8128 10.8128 k =-0.5000 0.3085 0.3114 ( 5008 PWs) bands (ev): -12.9768 -12.9768 -12.9173 -12.9173 -12.0297 -12.0297 -10.5263 -10.5263 -9.9128 -9.9128 -9.8264 -9.8264 -3.8027 -3.8027 -3.7623 -3.7623 -3.6512 -3.6512 -1.0867 -1.0867 -0.2797 -0.2797 -0.2303 -0.2303 -0.0602 -0.0602 0.3675 0.3675 1.2541 1.2541 1.5445 1.5445 1.6919 1.6920 1.9438 1.9438 2.6697 2.6697 3.0162 3.0162 3.4176 3.4176 3.5571 3.5571 3.9038 3.9038 4.0643 4.0643 9.5040 9.5040 9.7172 9.7172 9.7860 9.7860 10.1431 10.1431 10.8200 10.8200 k =-0.5000 0.3085 0.2941 ( 5006 PWs) bands (ev): -12.9798 -12.9798 -12.9165 -12.9165 -12.0666 -12.0666 -10.4593 -10.4593 -9.9170 -9.9170 -9.8252 -9.8252 -3.7653 -3.7653 -3.7567 -3.7567 -3.7183 -3.7183 -1.0298 -1.0298 -0.3194 -0.3194 -0.2908 -0.2908 -0.1294 -0.1294 0.3339 0.3339 1.3217 1.3217 1.5195 1.5195 1.7413 1.7413 1.9659 1.9659 2.6552 2.6552 3.0227 3.0227 3.4177 3.4177 3.5559 3.5559 3.9140 3.9140 4.0783 4.0783 9.5559 9.5559 9.6360 9.6360 9.8717 9.8717 10.1124 10.1124 10.8348 10.8348 k =-0.5000 0.3085 0.2768 ( 4984 PWs) bands (ev): -12.9826 -12.9826 -12.9157 -12.9157 -12.1016 -12.1016 -10.3932 -10.3932 -9.9211 -9.9211 -9.8241 -9.8241 -3.8676 -3.8676 -3.7175 -3.7175 -3.6722 -3.6722 -0.9768 -0.9768 -0.3780 -0.3780 -0.3333 -0.3333 -0.2014 -0.2014 0.3015 0.3015 1.3875 1.3875 1.4958 1.4958 1.7897 1.7897 1.9899 1.9899 2.6417 2.6417 3.0292 3.0292 3.4174 3.4174 3.5524 3.5524 3.9255 3.9255 4.0921 4.0921 9.5548 9.5548 9.6063 9.6063 9.9580 9.9580 10.0830 10.0830 10.8575 10.8575 k =-0.5000 0.3085 0.2595 ( 4984 PWs) bands (ev): -12.9854 -12.9854 -12.9151 -12.9151 -12.1346 -12.1346 -10.3282 -10.3282 -9.9252 -9.9252 -9.8231 -9.8231 -3.9714 -3.9714 -3.6720 -3.6720 -3.6241 -3.6241 -0.9274 -0.9274 -0.4477 -0.4477 -0.3660 -0.3660 -0.2747 -0.2747 0.2706 0.2706 1.4455 1.4455 1.4792 1.4792 1.8366 1.8366 2.0156 2.0156 2.6292 2.6292 3.0356 3.0356 3.4167 3.4167 3.5465 3.5465 3.9382 3.9382 4.1056 4.1056 9.4759 9.4759 9.6527 9.6527 10.0362 10.0362 10.0627 10.0627 10.8884 10.8884 k =-0.5000 0.3085 0.2422 ( 4992 PWs) bands (ev): -12.9881 -12.9881 -12.9145 -12.9145 -12.1655 -12.1655 -10.2648 -10.2648 -9.9290 -9.9290 -9.8222 -9.8222 -4.0718 -4.0718 -3.6247 -3.6247 -3.5743 -3.5743 -0.8818 -0.8818 -0.5205 -0.5205 -0.4002 -0.4002 -0.3449 -0.3449 0.2411 0.2411 1.4447 1.4447 1.5204 1.5204 1.8818 1.8818 2.0426 2.0426 2.6177 2.6177 3.0419 3.0419 3.4155 3.4155 3.5383 3.5383 3.9520 3.9520 4.1186 4.1186 9.3988 9.3988 9.6953 9.6953 10.0231 10.0231 10.1340 10.1340 10.9274 10.9274 k =-0.5000 0.3085 0.2249 ( 4994 PWs) bands (ev): -12.9907 -12.9907 -12.9140 -12.9140 -12.1943 -12.1943 -10.2032 -10.2032 -9.9327 -9.9327 -9.8215 -9.8215 -4.1683 -4.1683 -3.5761 -3.5761 -3.5232 -3.5232 -0.8399 -0.8399 -0.5944 -0.5944 -0.4518 -0.4518 -0.3965 -0.3965 0.2133 0.2133 1.4254 1.4254 1.5788 1.5788 1.9250 1.9250 2.0706 2.0706 2.6071 2.6071 3.0482 3.0482 3.4140 3.4140 3.5281 3.5281 3.9665 3.9665 4.1312 4.1312 9.3242 9.3242 9.7336 9.7336 9.9974 9.9974 10.2179 10.2179 10.9743 10.9743 k =-0.5000 0.3085 0.2076 ( 4994 PWs) bands (ev): -12.9931 -12.9931 -12.9136 -12.9136 -12.2211 -12.2211 -10.1437 -10.1437 -9.9362 -9.9362 -9.8208 -9.8208 -4.2605 -4.2605 -3.5265 -3.5265 -3.4712 -3.4712 -0.8023 -0.8023 -0.6681 -0.6681 -0.5228 -0.5228 -0.4268 -0.4268 0.1872 0.1872 1.4066 1.4066 1.6351 1.6351 1.9661 1.9661 2.0993 2.0993 2.5976 2.5976 3.0544 3.0544 3.4122 3.4122 3.5161 3.5161 3.9818 3.9818 4.1431 4.1431 9.2527 9.2527 9.7673 9.7673 9.9726 9.9726 10.2998 10.2998 11.0285 11.0285 k =-0.5000 0.3085 0.1903 ( 4990 PWs) bands (ev): -12.9954 -12.9954 -12.9133 -12.9133 -12.2458 -12.2458 -10.0869 -10.0869 -9.9395 -9.9395 -9.8202 -9.8202 -4.3478 -4.3478 -3.4763 -3.4763 -3.4187 -3.4187 -0.7760 -0.7760 -0.7336 -0.7336 -0.5983 -0.5983 -0.4500 -0.4500 0.1628 0.1628 1.3892 1.3892 1.6883 1.6883 2.0048 2.0048 2.1283 2.1283 2.5889 2.5889 3.0603 3.0603 3.4102 3.4102 3.5024 3.5024 3.9974 3.9974 4.1544 4.1544 9.1846 9.1846 9.7964 9.7964 9.9495 9.9495 10.3786 10.3786 11.0891 11.0891 k =-0.5000 0.3085 0.1730 ( 4994 PWs) bands (ev): -12.9976 -12.9976 -12.9130 -12.9130 -12.2684 -12.2684 -10.0331 -10.0331 -9.9425 -9.9425 -9.8197 -9.8197 -4.4299 -4.4299 -3.4262 -3.4262 -3.3661 -3.3661 -0.8231 -0.8231 -0.7293 -0.7293 -0.6723 -0.6723 -0.4700 -0.4700 0.1403 0.1403 1.3733 1.3733 1.7378 1.7378 2.0409 2.0409 2.1571 2.1571 2.5811 2.5811 3.0662 3.0662 3.4081 3.4081 3.4875 3.4875 4.0132 4.0132 4.1650 4.1650 9.1206 9.1206 9.8210 9.8210 9.9283 9.9283 10.4534 10.4534 11.1548 11.1548 k =-0.5000 0.3085 0.1557 ( 4996 PWs) bands (ev): -12.9995 -12.9995 -12.9128 -12.9128 -12.2889 -12.2889 -9.9828 -9.9828 -9.9452 -9.9452 -9.8193 -9.8193 -4.5061 -4.5061 -3.3767 -3.3767 -3.3142 -3.3142 -0.8929 -0.8929 -0.7512 -0.7512 -0.6969 -0.6969 -0.4876 -0.4876 0.1196 0.1196 1.3589 1.3589 1.7834 1.7834 2.0743 2.0743 2.1854 2.1854 2.5741 2.5741 3.0718 3.0718 3.4058 3.4058 3.4717 3.4717 4.0288 4.0288 4.1747 4.1747 9.0610 9.0610 9.8410 9.8410 9.9096 9.9096 10.5236 10.5236 11.2242 11.2242 k =-0.5000 0.3085 0.1384 ( 4992 PWs) bands (ev): -13.0014 -13.0014 -12.9126 -12.9126 -12.3073 -12.3073 -9.9490 -9.9490 -9.9349 -9.9349 -9.8188 -9.8188 -4.5760 -4.5760 -3.3285 -3.3285 -3.2636 -3.2636 -0.9613 -0.9613 -0.8201 -0.8201 -0.6731 -0.6731 -0.5032 -0.5032 0.1009 0.1009 1.3462 1.3462 1.8247 1.8247 2.1047 2.1047 2.2126 2.2126 2.5679 2.5679 3.0771 3.0771 3.4036 3.4036 3.4554 3.4554 4.0440 4.0440 4.1837 4.1837 9.0063 9.0063 9.8551 9.8551 9.8952 9.8952 10.5884 10.5884 11.2959 11.2959 k =-0.5000 0.3085 0.1211 ( 4992 PWs) bands (ev): -13.0030 -13.0030 -12.9124 -12.9124 -12.3235 -12.3235 -9.9506 -9.9506 -9.8934 -9.8934 -9.8182 -9.8182 -4.6391 -4.6391 -3.2825 -3.2825 -3.2152 -3.2152 -1.0262 -1.0262 -0.8862 -0.8862 -0.6507 -0.6507 -0.5169 -0.5169 0.0842 0.0842 1.3350 1.3350 1.8615 1.8615 2.1320 2.1320 2.2384 2.2384 2.5626 2.5626 3.0822 3.0822 3.4015 3.4015 3.4391 3.4391 4.0584 4.0584 4.1917 4.1917 8.9570 8.9570 9.8583 9.8583 9.8908 9.8908 10.6471 10.6471 11.3681 11.3681 k =-0.5000 0.3085 0.1038 ( 4996 PWs) bands (ev): -13.0044 -13.0044 -12.9123 -12.9123 -12.3376 -12.3376 -9.9526 -9.9526 -9.8564 -9.8564 -9.8172 -9.8172 -4.6949 -4.6949 -3.2395 -3.2395 -3.1698 -3.1698 -1.0863 -1.0863 -0.9471 -0.9471 -0.6310 -0.6310 -0.5287 -0.5287 0.0695 0.0695 1.3254 1.3254 1.8937 1.8937 2.1560 2.1560 2.2621 2.2621 2.5580 2.5580 3.0869 3.0869 3.3995 3.3995 3.4232 3.4232 4.0717 4.0717 4.1987 4.1987 8.9133 8.9133 9.8504 9.8504 9.8967 9.8967 10.6993 10.6993 11.4390 11.4390 k =-0.5000 0.3085 0.0865 ( 4988 PWs) bands (ev): -13.0056 -13.0056 -12.9122 -12.9122 -12.3495 -12.3495 -9.9543 -9.9543 -9.8282 -9.8282 -9.8124 -9.8124 -4.7430 -4.7430 -3.2005 -3.2005 -3.1285 -3.1285 -1.1404 -1.1404 -1.0016 -1.0016 -0.6142 -0.6142 -0.5386 -0.5386 0.0569 0.0569 1.3173 1.3173 1.9211 1.9211 2.1766 2.1766 2.2834 2.2834 2.5541 2.5541 3.0913 3.0913 3.3977 3.3977 3.4083 3.4083 4.0835 4.0835 4.2047 4.2047 8.8757 8.8757 9.8403 9.8403 9.9046 9.9046 10.7445 10.7445 11.5065 11.5065 k =-0.5000 0.3085 0.0692 ( 4988 PWs) bands (ev): -13.0066 -13.0066 -12.9121 -12.9121 -12.3593 -12.3593 -9.9557 -9.9557 -9.8208 -9.8208 -9.7922 -9.7922 -4.7830 -4.7830 -3.1666 -3.1666 -3.0924 -3.0924 -1.1872 -1.1872 -1.0483 -1.0483 -0.6004 -0.6004 -0.5468 -0.5468 0.0465 0.0465 1.3107 1.3107 1.9437 1.9437 2.1936 2.1936 2.3016 2.3016 2.5510 2.5510 3.0951 3.0951 3.3949 3.3949 3.3964 3.3964 4.0937 4.0937 4.2097 4.2097 8.8444 8.8444 9.8311 9.8311 9.9116 9.9116 10.7821 10.7821 11.5677 11.5677 k =-0.5000 0.3085 0.0519 ( 4984 PWs) bands (ev): -13.0074 -13.0074 -12.9121 -12.9121 -12.3669 -12.3669 -9.9568 -9.9568 -9.8197 -9.8197 -9.7715 -9.7715 -4.8145 -4.8145 -3.1388 -3.1388 -3.0628 -3.0628 -1.2253 -1.2253 -1.0861 -1.0861 -0.5896 -0.5896 -0.5531 -0.5531 0.0384 0.0384 1.3056 1.3056 1.9613 1.9613 2.2070 2.2070 2.3164 2.3164 2.5486 2.5486 3.0983 3.0983 3.3839 3.3839 3.3950 3.3950 4.1019 4.1019 4.2136 4.2136 8.8198 8.8198 9.8237 9.8237 9.9171 9.9171 10.8118 10.8118 11.6098 11.6098 k =-0.5000 0.3085 0.0346 ( 4988 PWs) bands (ev): -13.0080 -13.0080 -12.9120 -12.9120 -12.3723 -12.3723 -9.9576 -9.9576 -9.8193 -9.8193 -9.7561 -9.7561 -4.8372 -4.8372 -3.1182 -3.1182 -3.0406 -3.0406 -1.2535 -1.2535 -1.1140 -1.1140 -0.5819 -0.5819 -0.5576 -0.5576 0.0325 0.0325 1.3020 1.3020 1.9740 1.9740 2.2166 2.2166 2.3273 2.3273 2.5469 2.5469 3.1007 3.1007 3.3755 3.3755 3.3941 3.3941 4.1079 4.1079 4.2164 4.2164 8.8021 8.8021 9.8183 9.8183 9.9210 9.9210 10.8332 10.8332 11.6024 11.6024 k =-0.5000 0.3085 0.0173 ( 4984 PWs) bands (ev): -13.0083 -13.0083 -12.9120 -12.9120 -12.3755 -12.3755 -9.9581 -9.9581 -9.8192 -9.8192 -9.7467 -9.7467 -4.8509 -4.8509 -3.1054 -3.1054 -3.0269 -3.0269 -1.2709 -1.2709 -1.1312 -1.1312 -0.5773 -0.5773 -0.5603 -0.5603 0.0290 0.0290 1.2998 1.2998 1.9816 1.9816 2.2224 2.2224 2.3339 2.3339 2.5458 2.5458 3.1022 3.1022 3.3702 3.3702 3.3935 3.3935 4.1116 4.1116 4.2181 4.2181 8.7914 8.7914 9.8150 9.8150 9.9233 9.9233 10.8462 10.8462 11.5960 11.5960 k =-0.5000 0.3085 0.0000 ( 4976 PWs) bands (ev): -13.0084 -13.0084 -12.9120 -12.9120 -12.3766 -12.3766 -9.9583 -9.9583 -9.8191 -9.8191 -9.7436 -9.7436 -4.8555 -4.8555 -3.1011 -3.1011 -3.0223 -3.0223 -1.2768 -1.2768 -1.1369 -1.1369 -0.5758 -0.5758 -0.5612 -0.5612 0.0278 0.0278 1.2991 1.2991 1.9841 1.9841 2.2243 2.2243 2.3362 2.3362 2.5455 2.5455 3.1028 3.1028 3.3685 3.3685 3.3934 3.3934 4.1128 4.1128 4.2187 4.2187 8.7878 8.7878 9.8139 9.8139 9.9241 9.9241 10.8506 10.8506 11.5938 11.5938 k = 0.0000 0.0000 0.5363 ( 5002 PWs) bands (ev): -13.1897 -13.1897 -13.1897 -13.1897 -10.8729 -10.8729 -10.8729 -10.8729 -9.8585 -9.8585 -9.8585 -9.8585 -4.9163 -4.9163 -4.9163 -4.9163 -1.5312 -1.5312 -1.5312 -1.5312 -0.3739 -0.3739 -0.3739 -0.3739 0.1871 0.1871 0.1871 0.1871 1.1336 1.1336 1.1336 1.1336 2.2381 2.2381 2.2381 2.2381 3.2140 3.2140 3.2140 3.2140 3.7485 3.7485 3.7485 3.7485 4.0108 4.0108 4.0108 4.0108 8.9240 8.9240 8.9240 8.9240 9.1823 9.1823 9.1823 9.1823 11.5125 11.5125 k =-0.0147 0.0091 0.5363 ( 5002 PWs) bands (ev): -13.1893 -13.1893 -13.1892 -13.1892 -10.8741 -10.8741 -10.8739 -10.8739 -9.8586 -9.8586 -9.8582 -9.8582 -4.9153 -4.9153 -4.9144 -4.9144 -1.5330 -1.5330 -1.5317 -1.5317 -0.3747 -0.3747 -0.3714 -0.3714 0.1877 0.1877 0.1891 0.1891 1.1321 1.1321 1.1333 1.1333 2.2384 2.2384 2.2393 2.2393 3.2128 3.2128 3.2135 3.2135 3.7409 3.7409 3.7433 3.7433 4.0142 4.0142 4.0157 4.0157 8.9231 8.9231 8.9276 8.9276 9.1819 9.1819 9.1856 9.1856 11.5121 11.5131 k =-0.0294 0.0181 0.5363 ( 4994 PWs) bands (ev): -13.1880 -13.1880 -13.1878 -13.1878 -10.8775 -10.8775 -10.8771 -10.8771 -9.8586 -9.8586 -9.8577 -9.8577 -4.9112 -4.9112 -4.9096 -4.9096 -1.5372 -1.5372 -1.5346 -1.5346 -0.3738 -0.3738 -0.3673 -0.3673 0.1909 0.1909 0.1937 0.1937 1.1287 1.1287 1.1311 1.1311 2.2400 2.2400 2.2419 2.2419 3.2099 3.2099 3.2113 3.2113 3.7221 3.7221 3.7266 3.7266 4.0249 4.0249 4.0275 4.0275 8.9249 8.9249 8.9337 8.9337 9.1845 9.1845 9.1919 9.1919 11.5125 11.5126 k =-0.0441 0.0272 0.5363 ( 4990 PWs) bands (ev): -13.1859 -13.1859 -13.1856 -13.1856 -10.8831 -10.8831 -10.8824 -10.8824 -9.8584 -9.8584 -9.8571 -9.8571 -4.9043 -4.9043 -4.9019 -4.9019 -1.5436 -1.5436 -1.5399 -1.5399 -0.3712 -0.3712 -0.3616 -0.3616 0.1967 0.1967 0.2008 0.2008 1.1235 1.1235 1.1271 1.1271 2.2429 2.2429 2.2457 2.2457 3.2053 3.2053 3.2074 3.2074 3.6949 3.6949 3.7010 3.7010 4.0402 4.0402 4.0434 4.0434 8.9291 8.9291 8.9420 8.9420 9.1905 9.1905 9.2014 9.2014 11.5134 11.5135 k =-0.0588 0.0363 0.5363 ( 4984 PWs) bands (ev): -13.1829 -13.1829 -13.1825 -13.1825 -10.8907 -10.8907 -10.8898 -10.8898 -9.8581 -9.8581 -9.8564 -9.8564 -4.8945 -4.8945 -4.8913 -4.8913 -1.5523 -1.5523 -1.5474 -1.5474 -0.3669 -0.3669 -0.3543 -0.3543 0.2050 0.2050 0.2104 0.2104 1.1164 1.1164 1.1212 1.1212 2.2469 2.2469 2.2507 2.2507 3.1989 3.1989 3.2018 3.2018 3.6621 3.6621 3.6696 3.6696 4.0574 4.0574 4.0611 4.0611 8.9353 8.9353 8.9519 8.9519 9.2001 9.2001 9.2142 9.2142 11.5148 11.5149 k =-0.0735 0.0454 0.5363 ( 4988 PWs) bands (ev): -13.1790 -13.1790 -13.1785 -13.1785 -10.9003 -10.9003 -10.8993 -10.8993 -9.8577 -9.8577 -9.8556 -9.8556 -4.8818 -4.8818 -4.8778 -4.8778 -1.5631 -1.5631 -1.5573 -1.5573 -0.3608 -0.3608 -0.3456 -0.3456 0.2159 0.2159 0.2224 0.2224 1.1076 1.1076 1.1137 1.1137 2.2517 2.2517 2.2565 2.2565 3.1908 3.1908 3.1945 3.1945 3.6260 3.6260 3.6346 3.6346 4.0748 4.0748 4.0787 4.0787 8.9430 8.9430 8.9628 8.9628 9.2139 9.2139 9.2307 9.2307 11.5165 11.5165 k =-0.0882 0.0544 0.5363 ( 4976 PWs) bands (ev): -13.1743 -13.1743 -13.1737 -13.1737 -10.9118 -10.9118 -10.9106 -10.9106 -9.8571 -9.8571 -9.8547 -9.8547 -4.8663 -4.8663 -4.8616 -4.8616 -1.5761 -1.5761 -1.5693 -1.5693 -0.3530 -0.3530 -0.3354 -0.3354 0.2292 0.2292 0.2368 0.2368 1.0970 1.0970 1.1043 1.1043 2.2569 2.2569 2.2629 2.2629 3.1810 3.1810 3.1854 3.1854 3.5881 3.5881 3.5977 3.5977 4.0912 4.0912 4.0951 4.0951 8.9518 8.9518 8.9739 8.9739 9.2322 9.2322 9.2511 9.2511 11.5183 11.5183 k =-0.1029 0.0635 0.5363 ( 4978 PWs) bands (ev): -13.1688 -13.1688 -13.1682 -13.1682 -10.9252 -10.9252 -10.9238 -10.9238 -9.8565 -9.8565 -9.8538 -9.8538 -4.8482 -4.8482 -4.8428 -4.8428 -1.5910 -1.5910 -1.5835 -1.5835 -0.3434 -0.3434 -0.3237 -0.3237 0.2448 0.2448 0.2535 0.2535 1.0847 1.0847 1.0933 1.0933 2.2621 2.2621 2.2693 2.2693 3.1695 3.1695 3.1748 3.1748 3.5497 3.5497 3.5602 3.5602 4.1057 4.1057 4.1096 4.1096 8.9611 8.9611 8.9848 8.9848 9.2554 9.2554 9.2758 9.2758 11.5199 11.5199 k =-0.1176 0.0726 0.5363 ( 4978 PWs) bands (ev): -13.1625 -13.1625 -13.1618 -13.1618 -10.9402 -10.9402 -10.9387 -10.9387 -9.8559 -9.8559 -9.8529 -9.8529 -4.8274 -4.8274 -4.8213 -4.8213 -1.6078 -1.6078 -1.5998 -1.5998 -0.3322 -0.3322 -0.3107 -0.3107 0.2627 0.2627 0.2723 0.2723 1.0706 1.0706 1.0807 1.0807 2.2668 2.2668 2.2753 2.2753 3.1565 3.1565 3.1628 3.1628 3.5119 3.5119 3.5231 3.5231 4.1180 4.1180 4.1219 4.1219 8.9704 8.9704 8.9948 8.9948 9.2836 9.2836 9.3048 9.3048 11.5210 11.5210 k =-0.1324 0.0817 0.5363 ( 4974 PWs) bands (ev): -13.1555 -13.1555 -13.1547 -13.1547 -10.9568 -10.9568 -10.9552 -10.9552 -9.8553 -9.8553 -9.8520 -9.8520 -4.8041 -4.8041 -4.7974 -4.7974 -1.6264 -1.6264 -1.6179 -1.6179 -0.3193 -0.3193 -0.2963 -0.2963 0.2828 0.2828 0.2932 0.2932 1.0550 1.0550 1.0665 1.0665 2.2705 2.2705 2.2802 2.2802 3.1423 3.1423 3.1496 3.1496 3.4755 3.4755 3.4872 3.4872 4.1278 4.1278 4.1317 4.1317 8.9795 8.9795 9.0038 9.0038 9.3166 9.3166 9.3382 9.3382 11.5215 11.5215 k =-0.1471 0.0907 0.5363 ( 4982 PWs) bands (ev): -13.1478 -13.1478 -13.1469 -13.1469 -10.9747 -10.9747 -10.9730 -10.9730 -9.8547 -9.8547 -9.8512 -9.8512 -4.7785 -4.7785 -4.7712 -4.7712 -1.6467 -1.6467 -1.6379 -1.6379 -0.3048 -0.3048 -0.2807 -0.2807 0.3049 0.3049 0.3161 0.3161 1.0377 1.0377 1.0507 1.0507 2.2724 2.2724 2.2836 2.2836 3.1274 3.1274 3.1356 3.1356 3.4410 3.4410 3.4531 3.4531 4.1351 4.1351 4.1389 4.1389 8.9880 8.9880 9.0117 9.0117 9.3540 9.3540 9.3758 9.3758 11.5209 11.5209 k =-0.1618 0.0998 0.5363 ( 4986 PWs) bands (ev): -13.1394 -13.1394 -13.1384 -13.1384 -10.9939 -10.9939 -10.9922 -10.9922 -9.8541 -9.8541 -9.8505 -9.8505 -4.7506 -4.7506 -4.7428 -4.7428 -1.6685 -1.6685 -1.6595 -1.6595 -0.2889 -0.2889 -0.2640 -0.2640 0.3289 0.3289 0.3409 0.3409 1.0189 1.0189 1.0334 1.0334 2.2721 2.2721 2.2847 2.2847 3.1122 3.1122 3.1214 3.1214 3.4089 3.4089 3.4211 3.4211 4.1397 4.1397 4.1435 4.1435 8.9960 8.9960 9.0187 9.0187 9.3954 9.3954 9.4173 9.4173 11.5191 11.5191 k =-0.1765 0.1089 0.5363 ( 4976 PWs) bands (ev): -13.1303 -13.1303 -13.1293 -13.1293 -11.0142 -11.0142 -11.0124 -11.0124 -9.8536 -9.8536 -9.8499 -9.8499 -4.7207 -4.7207 -4.7124 -4.7124 -1.6917 -1.6917 -1.6827 -1.6827 -0.2715 -0.2715 -0.2460 -0.2460 0.3546 0.3546 0.3674 0.3674 0.9986 0.9986 1.0147 1.0147 2.2688 2.2688 2.2828 2.2828 3.0976 3.0976 3.1078 3.1078 3.3795 3.3795 3.3917 3.3917 4.1417 4.1417 4.1456 4.1456 9.0033 9.0033 9.0248 9.0248 9.4403 9.4403 9.4624 9.4624 11.5158 11.5158 k =-0.1912 0.1180 0.5363 ( 4964 PWs) bands (ev): -13.1207 -13.1207 -13.1196 -13.1196 -11.0354 -11.0354 -11.0335 -11.0335 -9.8532 -9.8532 -9.8494 -9.8494 -4.6888 -4.6888 -4.6801 -4.6801 -1.7162 -1.7162 -1.7072 -1.7072 -0.2528 -0.2528 -0.2271 -0.2271 0.3820 0.3820 0.3956 0.3956 0.9768 0.9768 0.9946 0.9946 2.2621 2.2621 2.2774 2.2774 3.0843 3.0843 3.0953 3.0953 3.3528 3.3528 3.3648 3.3648 4.1413 4.1413 4.1451 4.1451 9.0101 9.0101 9.0302 9.0302 9.4881 9.4881 9.5106 9.5106 11.5108 11.5108 k =-0.2059 0.1270 0.5363 ( 4968 PWs) bands (ev): -13.1106 -13.1106 -13.1095 -13.1095 -11.0574 -11.0574 -11.0554 -11.0554 -9.8529 -9.8529 -9.8491 -9.8491 -4.6552 -4.6552 -4.6461 -4.6461 -1.7418 -1.7418 -1.7329 -1.7329 -0.2330 -0.2330 -0.2072 -0.2072 0.4109 0.4109 0.4253 0.4253 0.9537 0.9537 0.9733 0.9733 2.2515 2.2515 2.2681 2.2681 3.0728 3.0728 3.0844 3.0844 3.3290 3.3290 3.3405 3.3405 4.1385 4.1385 4.1424 4.1424 9.0164 9.0164 9.0351 9.0351 9.5382 9.5382 9.5614 9.5614 11.5039 11.5039 k =-0.2206 0.1361 0.5363 ( 4964 PWs) bands (ev): -13.1001 -13.1001 -13.0989 -13.0989 -11.0799 -11.0799 -11.0780 -11.0780 -9.8527 -9.8527 -9.8489 -9.8489 -4.6201 -4.6201 -4.6107 -4.6107 -1.7684 -1.7684 -1.7597 -1.7597 -0.2121 -0.2121 -0.1864 -0.1864 0.4409 0.4409 0.4564 0.4564 0.9293 0.9293 0.9507 0.9507 2.2370 2.2370 2.2547 2.2547 3.0636 3.0636 3.0755 3.0755 3.3081 3.3081 3.3189 3.3189 4.1334 4.1334 4.1374 4.1374 9.0222 9.0222 9.0396 9.0396 9.5903 9.5903 9.6144 9.6144 11.4949 11.4949 k =-0.2353 0.1452 0.5363 ( 4980 PWs) bands (ev): -13.0891 -13.0891 -13.0879 -13.0879 -11.1029 -11.1029 -11.1009 -11.1009 -9.8527 -9.8527 -9.8489 -9.8489 -4.5837 -4.5837 -4.5741 -4.5741 -1.7958 -1.7958 -1.7874 -1.7874 -0.1903 -0.1903 -0.1648 -0.1648 0.4719 0.4719 0.4887 0.4887 0.9037 0.9037 0.9272 0.9272 2.2185 2.2185 2.2373 2.2373 3.0565 3.0565 3.0685 3.0685 3.2902 3.2902 3.3002 3.3002 4.1263 4.1263 4.1303 4.1303 9.0277 9.0277 9.0438 9.0438 9.6438 9.6438 9.6690 9.6690 11.4839 11.4839 k =-0.2500 0.1543 0.5363 ( 4988 PWs) bands (ev): -13.0779 -13.0779 -13.0767 -13.0767 -11.1260 -11.1260 -11.1240 -11.1240 -9.8527 -9.8527 -9.8489 -9.8489 -4.5462 -4.5462 -4.5364 -4.5364 -1.8238 -1.8238 -1.8158 -1.8158 -0.1675 -0.1675 -0.1425 -0.1425 0.5035 0.5035 0.5218 0.5218 0.8772 0.8772 0.9029 0.9029 2.1964 2.1964 2.2161 2.2161 3.0513 3.0513 3.0630 3.0630 3.2758 3.2758 3.2848 3.2848 4.1173 4.1173 4.1214 4.1214 9.0328 9.0328 9.0477 9.0477 9.6984 9.6984 9.7248 9.7248 11.4708 11.4708 k =-0.2647 0.1633 0.5363 ( 4988 PWs) bands (ev): -13.0665 -13.0665 -13.0652 -13.0652 -11.1492 -11.1492 -11.1472 -11.1472 -9.8528 -9.8528 -9.8492 -9.8492 -4.5079 -4.5079 -4.4980 -4.4980 -1.8524 -1.8524 -1.8446 -1.8446 -0.1440 -0.1440 -0.1195 -0.1195 0.5352 0.5352 0.5555 0.5555 0.8499 0.8499 0.8782 0.8782 2.1713 2.1713 2.1916 2.1916 3.0470 3.0470 3.0581 3.0581 3.2653 3.2653 3.2731 3.2731 4.1065 4.1065 4.1108 4.1108 9.0377 9.0377 9.0515 9.0515 9.7537 9.7537 9.7815 9.7815 11.4554 11.4554 k =-0.2794 0.1724 0.5363 ( 4990 PWs) bands (ev): -13.0549 -13.0549 -13.0536 -13.0536 -11.1722 -11.1722 -11.1703 -11.1703 -9.8531 -9.8531 -9.8495 -9.8495 -4.4691 -4.4691 -4.4592 -4.4592 -1.8812 -1.8812 -1.8739 -1.8739 -0.1199 -0.1199 -0.0959 -0.0959 0.5661 0.5661 0.5892 0.5892 0.8225 0.8225 0.8537 0.8537 2.1436 2.1436 2.1645 2.1645 3.0425 3.0425 3.0528 3.0528 3.2593 3.2593 3.2659 3.2659 4.0942 4.0942 4.0987 4.0987 9.0423 9.0423 9.0550 9.0550 9.8095 9.8095 9.8385 9.8385 11.4379 11.4379 k =-0.2941 0.1815 0.5363 ( 4994 PWs) bands (ev): -13.0433 -13.0433 -13.0420 -13.0420 -11.1950 -11.1950 -11.1931 -11.1931 -9.8534 -9.8534 -9.8500 -9.8500 -4.4301 -4.4301 -4.4202 -4.4202 -1.9101 -1.9101 -1.9032 -1.9032 -0.0951 -0.0951 -0.0718 -0.0718 0.5948 0.5948 0.6216 0.6216 0.7959 0.7959 0.8308 0.8308 2.1141 2.1141 2.1354 2.1354 3.0367 3.0367 3.0463 3.0463 3.2581 3.2581 3.2636 3.2636 4.0806 4.0806 4.0852 4.0852 9.0468 9.0468 9.0585 9.0585 9.8653 9.8653 9.8957 9.8957 11.4182 11.4182 k =-0.3088 0.1906 0.5363 ( 4990 PWs) bands (ev): -13.0318 -13.0318 -13.0305 -13.0305 -11.2172 -11.2172 -11.2153 -11.2153 -9.8538 -9.8538 -9.8505 -9.8505 -4.3911 -4.3911 -4.3814 -4.3814 -1.9390 -1.9390 -1.9324 -1.9324 -0.0698 -0.0698 -0.0471 -0.0471 0.6188 0.6188 0.6499 0.6499 0.7730 0.7730 0.8119 0.8119 2.0835 2.0835 2.1050 2.1050 3.0291 3.0291 3.0379 3.0379 3.2616 3.2616 3.2666 3.2666 4.0659 4.0659 4.0706 4.0706 9.0510 9.0510 9.0617 9.0617 9.9208 9.9208 9.9525 9.9525 11.3964 11.3964 k =-0.3235 0.1996 0.5363 ( 4988 PWs) bands (ev): -13.0204 -13.0204 -13.0192 -13.0192 -11.2387 -11.2387 -11.2369 -11.2369 -9.8542 -9.8542 -9.8512 -9.8512 -4.3526 -4.3526 -4.3431 -4.3431 -1.9674 -1.9674 -1.9613 -1.9613 -0.0440 -0.0440 -0.0219 -0.0219 0.6332 0.6332 0.6661 0.6661 0.7619 0.7619 0.8013 0.8013 2.0524 2.0524 2.0740 2.0740 3.0194 3.0194 3.0276 3.0276 3.2695 3.2695 3.2744 3.2744 4.0503 4.0503 4.0551 4.0551 9.0551 9.0551 9.0649 9.0649 9.9759 9.9759 10.0088 10.0088 11.3725 11.3725 k =-0.3382 0.2087 0.5363 ( 4990 PWs) bands (ev): -13.0093 -13.0093 -13.0082 -13.0082 -11.2593 -11.2593 -11.2577 -11.2577 -9.8547 -9.8547 -9.8519 -9.8519 -4.3148 -4.3148 -4.3056 -4.3056 -1.9953 -1.9953 -1.9896 -1.9896 -0.0178 -0.0178 0.0038 0.0038 0.6329 0.6329 0.6605 0.6605 0.7722 0.7722 0.8038 0.8038 2.0214 2.0214 2.0430 2.0430 3.0079 3.0079 3.0157 3.0157 3.2811 3.2811 3.2861 3.2861 4.0340 4.0340 4.0389 4.0389 9.0590 9.0590 9.0679 9.0679 10.0302 10.0302 10.0641 10.0641 11.3467 11.3467 k =-0.3529 0.2178 0.5363 ( 4990 PWs) bands (ev): -12.9987 -12.9987 -12.9976 -12.9976 -11.2790 -11.2790 -11.2774 -11.2774 -9.8553 -9.8553 -9.8526 -9.8526 -4.2782 -4.2782 -4.2695 -4.2695 -2.0223 -2.0223 -2.0171 -2.0171 0.0089 0.0089 0.0300 0.0300 0.6179 0.6179 0.6398 0.6398 0.7970 0.7970 0.8192 0.8192 1.9911 1.9911 2.0123 2.0123 2.9951 2.9951 3.0025 3.0025 3.2957 3.2957 3.3008 3.3008 4.0173 4.0173 4.0222 4.0222 9.0627 9.0627 9.0707 9.0707 10.0834 10.0834 10.1182 10.1182 11.3191 11.3191 k =-0.3676 0.2268 0.5363 ( 4996 PWs) bands (ev): -12.9886 -12.9886 -12.9875 -12.9875 -11.2973 -11.2973 -11.2959 -11.2959 -9.8558 -9.8558 -9.8533 -9.8533 -4.2433 -4.2433 -4.2350 -4.2350 -2.0482 -2.0482 -2.0434 -2.0434 0.0359 0.0359 0.0567 0.0567 0.5934 0.5934 0.6132 0.6132 0.8266 0.8266 0.8426 0.8426 1.9619 1.9619 1.9826 1.9826 2.9818 2.9818 2.9886 2.9886 3.3124 3.3124 3.3175 3.3175 4.0005 4.0005 4.0052 4.0052 9.0662 9.0662 9.0734 9.0734 10.1353 10.1353 10.1706 10.1706 11.2902 11.2902 k =-0.3824 0.2359 0.5363 ( 5004 PWs) bands (ev): -12.9791 -12.9791 -12.9781 -12.9781 -11.3143 -11.3143 -11.3130 -11.3130 -9.8563 -9.8563 -9.8541 -9.8541 -4.2103 -4.2103 -4.2026 -4.2026 -2.0725 -2.0725 -2.0682 -2.0682 0.0634 0.0634 0.0839 0.0839 0.5640 0.5640 0.5838 0.5838 0.8568 0.8568 0.8694 0.8694 1.9344 1.9344 1.9542 1.9542 2.9684 2.9684 2.9746 2.9746 3.3302 3.3302 3.3352 3.3352 3.9837 3.9837 3.9884 3.9884 9.0694 9.0694 9.0758 9.0758 10.1854 10.1854 10.2209 10.2209 11.2604 11.2604 k =-0.3971 0.2450 0.5363 ( 5000 PWs) bands (ev): -12.9704 -12.9704 -12.9695 -12.9695 -11.3297 -11.3297 -11.3285 -11.3285 -9.8567 -9.8567 -9.8548 -9.8548 -4.1797 -4.1797 -4.1727 -4.1727 -2.0951 -2.0951 -2.0912 -2.0912 0.0912 0.0912 0.1115 0.1115 0.5325 0.5325 0.5527 0.5527 0.8862 0.8862 0.8968 0.8968 1.9089 1.9089 1.9275 1.9275 2.9554 2.9554 2.9610 2.9610 3.3485 3.3485 3.3532 3.3532 3.9674 3.9674 3.9719 3.9719 9.0725 9.0725 9.0780 9.0780 10.2335 10.2335 10.2684 10.2684 11.2304 11.2304 k =-0.4118 0.2541 0.5363 ( 5006 PWs) bands (ev): -12.9626 -12.9626 -12.9618 -12.9618 -11.3434 -11.3434 -11.3424 -11.3424 -9.8572 -9.8572 -9.8555 -9.8555 -4.1520 -4.1520 -4.1458 -4.1458 -2.1155 -2.1155 -2.1121 -2.1121 0.1194 0.1194 0.1396 0.1396 0.5000 0.5000 0.5207 0.5207 0.9138 0.9138 0.9230 0.9230 1.8858 1.8858 1.9028 1.9028 2.9433 2.9433 2.9482 2.9482 3.3664 3.3664 3.3708 3.3708 3.9520 3.9520 3.9561 3.9561 9.0752 9.0752 9.0799 9.0799 10.2788 10.2788 10.3126 10.3126 11.2011 11.2011 k =-0.4265 0.2631 0.5363 ( 5012 PWs) bands (ev): -12.9557 -12.9557 -12.9550 -12.9550 -11.3553 -11.3553 -11.3544 -11.3544 -9.8575 -9.8575 -9.8561 -9.8561 -4.1276 -4.1276 -4.1223 -4.1223 -2.1335 -2.1335 -2.1306 -2.1306 0.1480 0.1480 0.1682 0.1682 0.4672 0.4672 0.4883 0.4883 0.9388 0.9388 0.9470 0.9470 1.8656 1.8656 1.8807 1.8807 2.9325 2.9325 2.9366 2.9366 3.3833 3.3833 3.3872 3.3872 3.9378 3.9378 3.9415 3.9415 9.0776 9.0776 9.0816 9.0816 10.3209 10.3209 10.3525 10.3525 11.1736 11.1736 k =-0.4412 0.2722 0.5363 ( 5012 PWs) bands (ev): -12.9499 -12.9499 -12.9494 -12.9494 -11.3651 -11.3651 -11.3644 -11.3644 -9.8578 -9.8578 -9.8567 -9.8567 -4.1068 -4.1068 -4.1025 -4.1025 -2.1486 -2.1486 -2.1463 -2.1463 0.1770 0.1770 0.1971 0.1971 0.4345 0.4345 0.4557 0.4557 0.9607 0.9607 0.9677 0.9677 1.8487 1.8487 1.8614 1.8614 2.9232 2.9232 2.9266 2.9266 3.3985 3.3985 3.4018 3.4018 3.9253 3.9253 3.9284 3.9284 9.0797 9.0797 9.0829 9.0829 10.3588 10.3588 10.3870 10.3870 11.1492 11.1492 k =-0.4559 0.2813 0.5363 ( 5008 PWs) bands (ev): -12.9453 -12.9453 -12.9449 -12.9449 -11.3729 -11.3729 -11.3723 -11.3723 -9.8580 -9.8580 -9.8572 -9.8572 -4.0902 -4.0902 -4.0868 -4.0868 -2.1607 -2.1607 -2.1589 -2.1589 0.2062 0.2062 0.2262 0.2262 0.4024 0.4024 0.4234 0.4234 0.9789 0.9789 0.9844 0.9844 1.8354 1.8354 1.8454 1.8454 2.9158 2.9158 2.9184 2.9184 3.4112 3.4112 3.4139 3.4139 3.9149 3.9149 3.9175 3.9175 9.0815 9.0815 9.0838 9.0838 10.3916 10.3916 10.4148 10.4148 11.1295 11.1295 k =-0.4706 0.2904 0.5363 ( 5006 PWs) bands (ev): -12.9420 -12.9420 -12.9417 -12.9417 -11.3785 -11.3785 -11.3781 -11.3781 -9.8581 -9.8581 -9.8576 -9.8576 -4.0778 -4.0778 -4.0756 -4.0756 -2.1694 -2.1694 -2.1682 -2.1682 0.2354 0.2354 0.2548 0.2548 0.3716 0.3716 0.3917 0.3917 0.9926 0.9926 0.9964 0.9964 1.8262 1.8262 1.8330 1.8330 2.9105 2.9105 2.9122 2.9122 3.4210 3.4210 3.4229 3.4229 3.9073 3.9073 3.9090 3.9090 9.0828 9.0828 9.0844 9.0844 10.4178 10.4178 10.4345 10.4345 11.1158 11.1158 k =-0.4853 0.2994 0.5363 ( 5022 PWs) bands (ev): -12.9399 -12.9399 -12.9398 -12.9398 -11.3818 -11.3818 -11.3816 -11.3816 -9.8582 -9.8582 -9.8579 -9.8579 -4.0701 -4.0701 -4.0690 -4.0690 -2.1746 -2.1746 -2.1740 -2.1740 0.2636 0.2636 0.2800 0.2800 0.3451 0.3451 0.3619 0.3619 1.0015 1.0015 1.0035 1.0035 1.8212 1.8212 1.8247 1.8247 2.9074 2.9074 2.9083 2.9083 3.4273 3.4273 3.4283 3.4283 3.9027 3.9027 3.9036 3.9036 9.0838 9.0838 9.0846 9.0846 10.4362 10.4362 10.4450 10.4450 11.1096 11.1096 k =-0.5000 0.3085 0.5363 ( 5024 PWs) bands (ev): -12.9392 -12.9392 -12.9392 -12.9392 -11.3829 -11.3829 -11.3829 -11.3829 -9.8581 -9.8581 -9.8581 -9.8581 -4.0671 -4.0671 -4.0671 -4.0671 -2.1761 -2.1761 -2.1761 -2.1761 0.2854 0.2854 0.2854 0.2854 0.3394 0.3394 0.3394 0.3394 1.0052 1.0052 1.0052 1.0052 1.8208 1.8208 1.8208 1.8208 2.9067 2.9067 2.9067 2.9067 3.4298 3.4298 3.4298 3.4298 3.9014 3.9014 3.9014 3.9014 9.0844 9.0844 9.0844 9.0844 10.4455 10.4455 10.4455 10.4455 11.1116 11.1116 Writing output data file Ge2N2O.save init_run : 1.82s CPU 11.50s WALL ( 1 calls) electrons : 1165.00s CPU 1175.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.17s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 1164.94s CPU 1175.33s WALL ( 1 calls) v_of_rho : 0.06s CPU 1.03s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.03s CPU 0.61s WALL ( 1 calls) newd : 0.35s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 354 calls) cegterg : 1085.70s CPU 1092.61s WALL ( 1233 calls) Called by sum_band: Called by *egterg: h_psi : 380.83s CPU 393.84s WALL ( 23338 calls) s_psi : 30.01s CPU 30.43s WALL ( 23338 calls) g_psi : 1.04s CPU 1.09s WALL ( 21751 calls) cdiaghg : 503.39s CPU 498.67s WALL ( 22105 calls) cegterg:over : 89.96s CPU 86.88s WALL ( 21751 calls) cegterg:upda : 20.86s CPU 26.93s WALL ( 21751 calls) cegterg:last : 17.01s CPU 17.93s WALL ( 2643 calls) Called by h_psi: h_psi:vloc : 296.80s CPU 307.60s WALL ( 23338 calls) h_psi:vnl : 83.46s CPU 84.96s WALL ( 23338 calls) add_vuspsi : 23.91s CPU 27.88s WALL ( 23338 calls) General routines calbec : 59.45s CPU 56.94s WALL ( 23338 calls) fft : 0.16s CPU 1.15s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 277.82s CPU 286.25s WALL ( 1721184 calls) interpolate : 0.02s CPU 0.03s WALL ( 4 calls) davcio : 0.03s CPU 3.34s WALL ( 708 calls) Parallel routines fft_scatter : 173.51s CPU 183.00s WALL ( 1721207 calls) PWSCF : 20m47.64s CPU 28m28.18s WALL This run was terminated on: 17:41:41 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=