Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:16:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ge2N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 29 8 1866 817 126 Max 51 30 9 1873 840 131 Sum 2437 1421 409 89779 39713 6179 bravais-lattice index = 14 lattice parameter (alat) = 10.2988 a.u. unit-cell volume = 911.2798 (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)= 10.298816 celldm(2)= 1.000000 celldm(3)= 0.933045 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.447862 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.447862 0.894103 0.000000 ) a(3) = ( 0.000000 0.000000 0.933045 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.500907 -0.000000 ) b(2) = ( 0.000000 1.118440 -0.000000 ) b(3) = ( 0.000000 0.000000 1.071760 ) 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 ) ( -0.4665224 ) 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) = ( 0.0090878 0.0147163 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181756 0.0294326 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272634 0.0441490 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363512 0.0588653 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454390 0.0735816 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0545269 0.0882979 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0636147 0.1030142 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0727025 0.1177305 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817903 0.1324468 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908781 0.1471631 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999659 0.1618795 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1090537 0.1765958 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1181415 0.1913121 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1272293 0.2060284 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1363171 0.2207447 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1454049 0.2354610 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544927 0.2501773 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1635805 0.2648937 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1726684 0.2796100 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1817562 0.2943263 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1908440 0.3090426 -0.0000000), wk = 0.0028249 k( 23) = ( 0.1999318 0.3237589 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2090196 0.3384752 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2181074 0.3531916 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2271952 0.3679079 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2362830 0.3826242 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2453708 0.3973405 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2544586 0.4120568 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2635464 0.4267731 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2726343 0.4414894 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2817221 0.4562058 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2908099 0.4709221 -0.0000000), wk = 0.0028249 k( 34) = ( 0.2998977 0.4856384 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3089855 0.5003547 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3180733 0.5150710 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3271611 0.5297873 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3362489 0.5445036 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3453367 0.5592200 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3453367 0.5592200 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3280699 0.5592200 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3108031 0.5592200 -0.0000000), wk = 0.0028249 k( 43) = ( 0.2935362 0.5592200 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2762694 0.5592200 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2590025 0.5592200 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2417357 0.5592200 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2244689 0.5592200 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2072020 0.5592200 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1899352 0.5592200 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1726684 0.5592200 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1554015 0.5592200 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1381347 0.5592200 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208678 0.5592200 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1036010 0.5592200 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0863342 0.5592200 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690673 0.5592200 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0518005 0.5592200 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345337 0.5592200 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172668 0.5592200 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5592200 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5592200 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5592200 0.0172864), wk = 0.0028249 k( 63) = ( 0.0000000 0.5592200 0.0345729), wk = 0.0028249 k( 64) = ( 0.0000000 0.5592200 0.0518594), wk = 0.0028249 k( 65) = ( 0.0000000 0.5592200 0.0691458), wk = 0.0028249 k( 66) = ( 0.0000000 0.5592200 0.0864323), wk = 0.0028249 k( 67) = ( 0.0000000 0.5592200 0.1037187), wk = 0.0028249 k( 68) = ( 0.0000000 0.5592200 0.1210052), wk = 0.0028249 k( 69) = ( 0.0000000 0.5592200 0.1382916), wk = 0.0028249 k( 70) = ( 0.0000000 0.5592200 0.1555781), wk = 0.0028249 k( 71) = ( 0.0000000 0.5592200 0.1728645), wk = 0.0028249 k( 72) = ( 0.0000000 0.5592200 0.1901509), wk = 0.0028249 k( 73) = ( 0.0000000 0.5592200 0.2074374), wk = 0.0028249 k( 74) = ( 0.0000000 0.5592200 0.2247239), wk = 0.0028249 k( 75) = ( 0.0000000 0.5592200 0.2420103), wk = 0.0028249 k( 76) = ( 0.0000000 0.5592200 0.2592968), wk = 0.0028249 k( 77) = ( 0.0000000 0.5592200 0.2765832), wk = 0.0028249 k( 78) = ( 0.0000000 0.5592200 0.2938697), wk = 0.0028249 k( 79) = ( 0.0000000 0.5592200 0.3111561), wk = 0.0028249 k( 80) = ( 0.0000000 0.5592200 0.3284426), wk = 0.0028249 k( 81) = ( 0.0000000 0.5592200 0.3457290), wk = 0.0028249 k( 82) = ( 0.0000000 0.5592200 0.3630155), wk = 0.0028249 k( 83) = ( 0.0000000 0.5592200 0.3803019), wk = 0.0028249 k( 84) = ( 0.0000000 0.5592200 0.3975884), wk = 0.0028249 k( 85) = ( 0.0000000 0.5592200 0.4148748), wk = 0.0028249 k( 86) = ( 0.0000000 0.5592200 0.4321613), wk = 0.0028249 k( 87) = ( 0.0000000 0.5592200 0.4494477), wk = 0.0028249 k( 88) = ( 0.0000000 0.5592200 0.4667342), wk = 0.0028249 k( 89) = ( 0.0000000 0.5592200 0.4840206), wk = 0.0028249 k( 90) = ( 0.0000000 0.5592200 0.5013071), wk = 0.0028249 k( 91) = ( 0.0000000 0.5592200 0.5185935), wk = 0.0028249 k( 92) = ( 0.0000000 0.5592200 0.5358800), wk = 0.0028249 k( 93) = ( 0.0000000 0.5592200 0.5358800), wk = 0.0028249 k( 94) = ( 0.0172668 0.5592200 0.5358800), wk = 0.0028249 k( 95) = ( 0.0345337 0.5592200 0.5358800), wk = 0.0028249 k( 96) = ( 0.0518005 0.5592200 0.5358800), wk = 0.0028249 k( 97) = ( 0.0690673 0.5592200 0.5358800), wk = 0.0028249 k( 98) = ( 0.0863342 0.5592200 0.5358800), wk = 0.0028249 k( 99) = ( 0.1036010 0.5592200 0.5358800), wk = 0.0028249 k( 100) = ( 0.1208678 0.5592200 0.5358800), wk = 0.0028249 k( 101) = ( 0.1381347 0.5592200 0.5358800), wk = 0.0028249 k( 102) = ( 0.1554015 0.5592200 0.5358800), wk = 0.0028249 k( 103) = ( 0.1726684 0.5592200 0.5358800), wk = 0.0028249 k( 104) = ( 0.1899352 0.5592200 0.5358800), wk = 0.0028249 k( 105) = ( 0.2072020 0.5592200 0.5358800), wk = 0.0028249 k( 106) = ( 0.2244689 0.5592200 0.5358800), wk = 0.0028249 k( 107) = ( 0.2417357 0.5592200 0.5358800), wk = 0.0028249 k( 108) = ( 0.2590025 0.5592200 0.5358800), wk = 0.0028249 k( 109) = ( 0.2762694 0.5592200 0.5358800), wk = 0.0028249 k( 110) = ( 0.2935362 0.5592200 0.5358800), wk = 0.0028249 k( 111) = ( 0.3108031 0.5592200 0.5358800), wk = 0.0028249 k( 112) = ( 0.3280699 0.5592200 0.5358800), wk = 0.0028249 k( 113) = ( 0.3453367 0.5592200 0.5358800), wk = 0.0028249 k( 114) = ( 0.3453367 0.5592200 0.5358800), wk = 0.0028249 k( 115) = ( 0.3362489 0.5445036 0.5358800), wk = 0.0028249 k( 116) = ( 0.3271611 0.5297873 0.5358800), wk = 0.0028249 k( 117) = ( 0.3180733 0.5150710 0.5358800), wk = 0.0028249 k( 118) = ( 0.3089855 0.5003547 0.5358800), wk = 0.0028249 k( 119) = ( 0.2998977 0.4856384 0.5358800), wk = 0.0028249 k( 120) = ( 0.2908099 0.4709221 0.5358800), wk = 0.0028249 k( 121) = ( 0.2817221 0.4562058 0.5358800), wk = 0.0028249 k( 122) = ( 0.2726343 0.4414894 0.5358800), wk = 0.0028249 k( 123) = ( 0.2635464 0.4267731 0.5358800), wk = 0.0028249 k( 124) = ( 0.2544586 0.4120568 0.5358800), wk = 0.0028249 k( 125) = ( 0.2453708 0.3973405 0.5358800), wk = 0.0028249 k( 126) = ( 0.2362830 0.3826242 0.5358800), wk = 0.0028249 k( 127) = ( 0.2271952 0.3679079 0.5358800), wk = 0.0028249 k( 128) = ( 0.2181074 0.3531916 0.5358800), wk = 0.0028249 k( 129) = ( 0.2090196 0.3384752 0.5358800), wk = 0.0028249 k( 130) = ( 0.1999318 0.3237589 0.5358800), wk = 0.0028249 k( 131) = ( 0.1908440 0.3090426 0.5358800), wk = 0.0028249 k( 132) = ( 0.1817562 0.2943263 0.5358800), wk = 0.0028249 k( 133) = ( 0.1726684 0.2796100 0.5358800), wk = 0.0028249 k( 134) = ( 0.1635805 0.2648937 0.5358800), wk = 0.0028249 k( 135) = ( 0.1544927 0.2501773 0.5358800), wk = 0.0028249 k( 136) = ( 0.1454049 0.2354610 0.5358800), wk = 0.0028249 k( 137) = ( 0.1363171 0.2207447 0.5358800), wk = 0.0028249 k( 138) = ( 0.1272293 0.2060284 0.5358800), wk = 0.0028249 k( 139) = ( 0.1181415 0.1913121 0.5358800), wk = 0.0028249 k( 140) = ( 0.1090537 0.1765958 0.5358800), wk = 0.0028249 k( 141) = ( 0.0999659 0.1618795 0.5358800), wk = 0.0028249 k( 142) = ( 0.0908781 0.1471631 0.5358800), wk = 0.0028249 k( 143) = ( 0.0817903 0.1324468 0.5358800), wk = 0.0028249 k( 144) = ( 0.0727025 0.1177305 0.5358800), wk = 0.0028249 k( 145) = ( 0.0636147 0.1030142 0.5358800), wk = 0.0028249 k( 146) = ( 0.0545269 0.0882979 0.5358800), wk = 0.0028249 k( 147) = ( 0.0454390 0.0735816 0.5358800), wk = 0.0028249 k( 148) = ( 0.0363512 0.0588653 0.5358800), wk = 0.0028249 k( 149) = ( 0.0272634 0.0441490 0.5358800), wk = 0.0028249 k( 150) = ( 0.0181756 0.0294326 0.5358800), wk = 0.0028249 k( 151) = ( 0.0090878 0.0147163 0.5358800), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5358800), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5358800), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.5185935), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.5013071), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4840206), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4667342), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4494477), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4321613), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.4148748), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3975884), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3803019), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3630155), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3457290), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3284426), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.3111561), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2938697), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2765832), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2592968), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2420103), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2247239), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.2074374), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1901509), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1728645), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1555781), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1382916), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1210052), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.1037187), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0864323), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0691458), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0518594), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0345729), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0172864), 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 0.0090814 0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0181627 0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0272441 0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0363255 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0454068 0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0544882 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.0635696 0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.0726509 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.0817323 0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.0908137 0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.0998950 0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1089764 0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1180578 0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.1271391 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.1362205 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.1453019 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.1543832 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.1634646 0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.1725460 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.1816273 0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.1907087 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.1997901 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.2088714 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.2179528 0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.2270342 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.2361155 0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.2451969 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.2542783 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.2633596 0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.2724410 0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.2815223 0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.2906037 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.2996851 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.3087664 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.3087664 0.0000000), wk = 0.0028249 k( 221) = ( -0.4909022 0.3234990 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4818043 0.3382316 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4727065 0.3529641 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4636086 0.3676967 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4545108 0.3824292 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4454130 0.3971618 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4363151 0.4118944 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4272173 0.4266269 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4181194 0.4413595 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4090216 0.4560920 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3999238 0.4708246 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3908259 0.4855572 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3817281 0.5002897 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3726302 0.5150223 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3635324 0.5297548 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3544346 0.5444874 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3453367 0.5592200 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3453367 0.5592200 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3453367 0.5592200 0.0172864), wk = 0.0028249 k( 240) = ( -0.3453367 0.5592200 0.0345729), wk = 0.0028249 k( 241) = ( -0.3453367 0.5592200 0.0518594), wk = 0.0028249 k( 242) = ( -0.3453367 0.5592200 0.0691458), wk = 0.0028249 k( 243) = ( -0.3453367 0.5592200 0.0864323), wk = 0.0028249 k( 244) = ( -0.3453367 0.5592200 0.1037187), wk = 0.0028249 k( 245) = ( -0.3453367 0.5592200 0.1210052), wk = 0.0028249 k( 246) = ( -0.3453367 0.5592200 0.1382916), wk = 0.0028249 k( 247) = ( -0.3453367 0.5592200 0.1555781), wk = 0.0028249 k( 248) = ( -0.3453367 0.5592200 0.1728645), wk = 0.0028249 k( 249) = ( -0.3453367 0.5592200 0.1901509), wk = 0.0028249 k( 250) = ( -0.3453367 0.5592200 0.2074374), wk = 0.0028249 k( 251) = ( -0.3453367 0.5592200 0.2247239), wk = 0.0028249 k( 252) = ( -0.3453367 0.5592200 0.2420103), wk = 0.0028249 k( 253) = ( -0.3453367 0.5592200 0.2592968), wk = 0.0028249 k( 254) = ( -0.3453367 0.5592200 0.2765832), wk = 0.0028249 k( 255) = ( -0.3453367 0.5592200 0.2938697), wk = 0.0028249 k( 256) = ( -0.3453367 0.5592200 0.3111561), wk = 0.0028249 k( 257) = ( -0.3453367 0.5592200 0.3284426), wk = 0.0028249 k( 258) = ( -0.3453367 0.5592200 0.3457290), wk = 0.0028249 k( 259) = ( -0.3453367 0.5592200 0.3630155), wk = 0.0028249 k( 260) = ( -0.3453367 0.5592200 0.3803019), wk = 0.0028249 k( 261) = ( -0.3453367 0.5592200 0.3975884), wk = 0.0028249 k( 262) = ( -0.3453367 0.5592200 0.4148748), wk = 0.0028249 k( 263) = ( -0.3453367 0.5592200 0.4321613), wk = 0.0028249 k( 264) = ( -0.3453367 0.5592200 0.4494477), wk = 0.0028249 k( 265) = ( -0.3453367 0.5592200 0.4667342), wk = 0.0028249 k( 266) = ( -0.3453367 0.5592200 0.4840206), wk = 0.0028249 k( 267) = ( -0.3453367 0.5592200 0.5013071), wk = 0.0028249 k( 268) = ( -0.3453367 0.5592200 0.5185935), wk = 0.0028249 k( 269) = ( -0.3453367 0.5592200 0.5358800), wk = 0.0028249 k( 270) = ( -0.3453367 0.5592200 0.5358800), wk = 0.0028249 k( 271) = ( -0.3544346 0.5444874 0.5358800), wk = 0.0028249 k( 272) = ( -0.3635324 0.5297548 0.5358800), wk = 0.0028249 k( 273) = ( -0.3726302 0.5150223 0.5358800), wk = 0.0028249 k( 274) = ( -0.3817281 0.5002897 0.5358800), wk = 0.0028249 k( 275) = ( -0.3908259 0.4855572 0.5358800), wk = 0.0028249 k( 276) = ( -0.3999238 0.4708246 0.5358800), wk = 0.0028249 k( 277) = ( -0.4090216 0.4560920 0.5358800), wk = 0.0028249 k( 278) = ( -0.4181194 0.4413595 0.5358800), wk = 0.0028249 k( 279) = ( -0.4272173 0.4266269 0.5358800), wk = 0.0028249 k( 280) = ( -0.4363151 0.4118944 0.5358800), wk = 0.0028249 k( 281) = ( -0.4454130 0.3971618 0.5358800), wk = 0.0028249 k( 282) = ( -0.4545108 0.3824292 0.5358800), wk = 0.0028249 k( 283) = ( -0.4636086 0.3676967 0.5358800), wk = 0.0028249 k( 284) = ( -0.4727065 0.3529641 0.5358800), wk = 0.0028249 k( 285) = ( -0.4818043 0.3382316 0.5358800), wk = 0.0028249 k( 286) = ( -0.4909022 0.3234990 0.5358800), wk = 0.0028249 k( 287) = ( -0.5000000 0.3087664 0.5358800), wk = 0.0028249 k( 288) = ( -0.5000000 0.3087664 0.5358800), wk = 0.0028249 k( 289) = ( -0.5000000 0.3087664 0.5185935), wk = 0.0028249 k( 290) = ( -0.5000000 0.3087664 0.5013071), wk = 0.0028249 k( 291) = ( -0.5000000 0.3087664 0.4840206), wk = 0.0028249 k( 292) = ( -0.5000000 0.3087664 0.4667342), wk = 0.0028249 k( 293) = ( -0.5000000 0.3087664 0.4494477), wk = 0.0028249 k( 294) = ( -0.5000000 0.3087664 0.4321613), wk = 0.0028249 k( 295) = ( -0.5000000 0.3087664 0.4148748), wk = 0.0028249 k( 296) = ( -0.5000000 0.3087664 0.3975884), wk = 0.0028249 k( 297) = ( -0.5000000 0.3087664 0.3803019), wk = 0.0028249 k( 298) = ( -0.5000000 0.3087664 0.3630155), wk = 0.0028249 k( 299) = ( -0.5000000 0.3087664 0.3457290), wk = 0.0028249 k( 300) = ( -0.5000000 0.3087664 0.3284426), wk = 0.0028249 k( 301) = ( -0.5000000 0.3087664 0.3111561), wk = 0.0028249 k( 302) = ( -0.5000000 0.3087664 0.2938697), wk = 0.0028249 k( 303) = ( -0.5000000 0.3087664 0.2765832), wk = 0.0028249 k( 304) = ( -0.5000000 0.3087664 0.2592968), wk = 0.0028249 k( 305) = ( -0.5000000 0.3087664 0.2420103), wk = 0.0028249 k( 306) = ( -0.5000000 0.3087664 0.2247239), wk = 0.0028249 k( 307) = ( -0.5000000 0.3087664 0.2074374), wk = 0.0028249 k( 308) = ( -0.5000000 0.3087664 0.1901509), wk = 0.0028249 k( 309) = ( -0.5000000 0.3087664 0.1728645), wk = 0.0028249 k( 310) = ( -0.5000000 0.3087664 0.1555781), wk = 0.0028249 k( 311) = ( -0.5000000 0.3087664 0.1382916), wk = 0.0028249 k( 312) = ( -0.5000000 0.3087664 0.1210052), wk = 0.0028249 k( 313) = ( -0.5000000 0.3087664 0.1037187), wk = 0.0028249 k( 314) = ( -0.5000000 0.3087664 0.0864323), wk = 0.0028249 k( 315) = ( -0.5000000 0.3087664 0.0691458), wk = 0.0028249 k( 316) = ( -0.5000000 0.3087664 0.0518594), wk = 0.0028249 k( 317) = ( -0.5000000 0.3087664 0.0345729), wk = 0.0028249 k( 318) = ( -0.5000000 0.3087664 0.0172864), wk = 0.0028249 k( 319) = ( -0.5000000 0.3087664 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5358800), wk = 0.0028249 k( 321) = ( -0.0147059 0.0090814 0.5358800), wk = 0.0028249 k( 322) = ( -0.0294118 0.0181627 0.5358800), wk = 0.0028249 k( 323) = ( -0.0441177 0.0272441 0.5358800), wk = 0.0028249 k( 324) = ( -0.0588235 0.0363255 0.5358800), wk = 0.0028249 k( 325) = ( -0.0735294 0.0454068 0.5358800), wk = 0.0028249 k( 326) = ( -0.0882353 0.0544882 0.5358800), wk = 0.0028249 k( 327) = ( -0.1029412 0.0635696 0.5358800), wk = 0.0028249 k( 328) = ( -0.1176471 0.0726509 0.5358800), wk = 0.0028249 k( 329) = ( -0.1323529 0.0817323 0.5358800), wk = 0.0028249 k( 330) = ( -0.1470588 0.0908137 0.5358800), wk = 0.0028249 k( 331) = ( -0.1617647 0.0998950 0.5358800), wk = 0.0028249 k( 332) = ( -0.1764706 0.1089764 0.5358800), wk = 0.0028249 k( 333) = ( -0.1911765 0.1180578 0.5358800), wk = 0.0028249 k( 334) = ( -0.2058823 0.1271391 0.5358800), wk = 0.0028249 k( 335) = ( -0.2205882 0.1362205 0.5358800), wk = 0.0028249 k( 336) = ( -0.2352941 0.1453019 0.5358800), wk = 0.0028249 k( 337) = ( -0.2500000 0.1543832 0.5358800), wk = 0.0028249 k( 338) = ( -0.2647059 0.1634646 0.5358800), wk = 0.0028249 k( 339) = ( -0.2794118 0.1725460 0.5358800), wk = 0.0028249 k( 340) = ( -0.2941177 0.1816273 0.5358800), wk = 0.0028249 k( 341) = ( -0.3088235 0.1907087 0.5358800), wk = 0.0028249 k( 342) = ( -0.3235294 0.1997901 0.5358800), wk = 0.0028249 k( 343) = ( -0.3382353 0.2088714 0.5358800), wk = 0.0028249 k( 344) = ( -0.3529412 0.2179528 0.5358800), wk = 0.0028249 k( 345) = ( -0.3676471 0.2270342 0.5358800), wk = 0.0028249 k( 346) = ( -0.3823529 0.2361155 0.5358800), wk = 0.0028249 k( 347) = ( -0.3970588 0.2451969 0.5358800), wk = 0.0028249 k( 348) = ( -0.4117647 0.2542783 0.5358800), wk = 0.0028249 k( 349) = ( -0.4264706 0.2633596 0.5358800), wk = 0.0028249 k( 350) = ( -0.4411765 0.2724410 0.5358800), wk = 0.0028249 k( 351) = ( -0.4558823 0.2815223 0.5358800), wk = 0.0028249 k( 352) = ( -0.4705882 0.2906037 0.5358800), wk = 0.0028249 k( 353) = ( -0.4852941 0.2996851 0.5358800), wk = 0.0028249 k( 354) = ( -0.5000000 0.3087664 0.5358800), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090878 0.0090878 0.0000000), wk = 0.0028249 k( 3) = ( 0.0181756 0.0181756 0.0000000), wk = 0.0028249 k( 4) = ( 0.0272634 0.0272634 0.0000000), wk = 0.0028249 k( 5) = ( 0.0363512 0.0363512 0.0000000), wk = 0.0028249 k( 6) = ( 0.0454390 0.0454390 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0545269 0.0545269 0.0000000), wk = 0.0028249 k( 8) = ( 0.0636147 0.0636147 0.0000000), wk = 0.0028249 k( 9) = ( 0.0727025 0.0727025 0.0000000), wk = 0.0028249 k( 10) = ( 0.0817903 0.0817903 0.0000000), wk = 0.0028249 k( 11) = ( 0.0908781 0.0908781 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999659 0.0999659 0.0000000), wk = 0.0028249 k( 13) = ( 0.1090537 0.1090537 0.0000000), wk = 0.0028249 k( 14) = ( 0.1181415 0.1181415 0.0000000), wk = 0.0028249 k( 15) = ( 0.1272293 0.1272293 0.0000000), wk = 0.0028249 k( 16) = ( 0.1363171 0.1363171 0.0000000), wk = 0.0028249 k( 17) = ( 0.1454049 0.1454049 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544927 0.1544927 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1635805 0.1635805 0.0000000), wk = 0.0028249 k( 20) = ( 0.1726684 0.1726684 0.0000000), wk = 0.0028249 k( 21) = ( 0.1817562 0.1817562 0.0000000), wk = 0.0028249 k( 22) = ( 0.1908440 0.1908440 0.0000000), wk = 0.0028249 k( 23) = ( 0.1999318 0.1999318 0.0000000), wk = 0.0028249 k( 24) = ( 0.2090196 0.2090196 0.0000000), wk = 0.0028249 k( 25) = ( 0.2181074 0.2181074 0.0000000), wk = 0.0028249 k( 26) = ( 0.2271952 0.2271952 0.0000000), wk = 0.0028249 k( 27) = ( 0.2362830 0.2362830 0.0000000), wk = 0.0028249 k( 28) = ( 0.2453708 0.2453708 0.0000000), wk = 0.0028249 k( 29) = ( 0.2544586 0.2544586 0.0000000), wk = 0.0028249 k( 30) = ( 0.2635464 0.2635464 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2726343 0.2726342 0.0000000), wk = 0.0028249 k( 32) = ( 0.2817221 0.2817221 0.0000000), wk = 0.0028249 k( 33) = ( 0.2908099 0.2908099 0.0000000), wk = 0.0028249 k( 34) = ( 0.2998977 0.2998977 0.0000000), wk = 0.0028249 k( 35) = ( 0.3089855 0.3089855 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3180733 0.3180733 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3271611 0.3271611 0.0000000), wk = 0.0028249 k( 38) = ( 0.3362489 0.3362489 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3453367 0.3453367 0.0000000), wk = 0.0028249 k( 40) = ( 0.3453367 0.3453367 0.0000000), wk = 0.0028249 k( 41) = ( 0.3280699 0.3530699 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3108031 0.3608031 0.0000000), wk = 0.0028249 k( 43) = ( 0.2935362 0.3685362 0.0000000), wk = 0.0028249 k( 44) = ( 0.2762694 0.3762694 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2590025 0.3840025 0.0000000), wk = 0.0028249 k( 46) = ( 0.2417357 0.3917357 0.0000000), wk = 0.0028249 k( 47) = ( 0.2244689 0.3994689 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2072020 0.4072020 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1899352 0.4149352 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1726684 0.4226684 0.0000000), wk = 0.0028249 k( 51) = ( 0.1554015 0.4304015 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1381347 0.4381347 0.0000000), wk = 0.0028249 k( 53) = ( 0.1208678 0.4458679 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1036010 0.4536010 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0863342 0.4613342 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690673 0.4690673 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0518005 0.4768005 0.0000000), wk = 0.0028249 k( 58) = ( 0.0345337 0.4845337 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172668 0.4922668 -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 0.2741936), 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) = ( 0.0172668 0.4922668 0.5000000), wk = 0.0028249 k( 95) = ( 0.0345337 0.4845337 0.5000000), wk = 0.0028249 k( 96) = ( 0.0518005 0.4768005 0.5000000), wk = 0.0028249 k( 97) = ( 0.0690673 0.4690673 0.5000000), wk = 0.0028249 k( 98) = ( 0.0863342 0.4613342 0.5000000), wk = 0.0028249 k( 99) = ( 0.1036010 0.4536010 0.5000000), wk = 0.0028249 k( 100) = ( 0.1208678 0.4458679 0.5000000), wk = 0.0028249 k( 101) = ( 0.1381347 0.4381347 0.5000000), wk = 0.0028249 k( 102) = ( 0.1554015 0.4304015 0.5000000), wk = 0.0028249 k( 103) = ( 0.1726684 0.4226684 0.5000000), wk = 0.0028249 k( 104) = ( 0.1899352 0.4149352 0.5000000), wk = 0.0028249 k( 105) = ( 0.2072020 0.4072020 0.5000000), wk = 0.0028249 k( 106) = ( 0.2244689 0.3994689 0.5000000), wk = 0.0028249 k( 107) = ( 0.2417357 0.3917357 0.5000000), wk = 0.0028249 k( 108) = ( 0.2590025 0.3840025 0.5000000), wk = 0.0028249 k( 109) = ( 0.2762694 0.3762694 0.5000000), wk = 0.0028249 k( 110) = ( 0.2935362 0.3685362 0.5000000), wk = 0.0028249 k( 111) = ( 0.3108031 0.3608031 0.5000000), wk = 0.0028249 k( 112) = ( 0.3280699 0.3530699 0.5000000), wk = 0.0028249 k( 113) = ( 0.3453367 0.3453367 0.5000000), wk = 0.0028249 k( 114) = ( 0.3453367 0.3453367 0.5000000), wk = 0.0028249 k( 115) = ( 0.3362489 0.3362489 0.5000000), wk = 0.0028249 k( 116) = ( 0.3271611 0.3271611 0.5000000), wk = 0.0028249 k( 117) = ( 0.3180733 0.3180733 0.5000000), wk = 0.0028249 k( 118) = ( 0.3089855 0.3089855 0.5000000), wk = 0.0028249 k( 119) = ( 0.2998977 0.2998977 0.5000000), wk = 0.0028249 k( 120) = ( 0.2908099 0.2908099 0.5000000), wk = 0.0028249 k( 121) = ( 0.2817221 0.2817221 0.5000000), wk = 0.0028249 k( 122) = ( 0.2726343 0.2726342 0.5000000), wk = 0.0028249 k( 123) = ( 0.2635464 0.2635464 0.5000000), wk = 0.0028249 k( 124) = ( 0.2544586 0.2544586 0.5000000), wk = 0.0028249 k( 125) = ( 0.2453708 0.2453708 0.5000000), wk = 0.0028249 k( 126) = ( 0.2362830 0.2362830 0.5000000), wk = 0.0028249 k( 127) = ( 0.2271952 0.2271952 0.5000000), wk = 0.0028249 k( 128) = ( 0.2181074 0.2181074 0.5000000), wk = 0.0028249 k( 129) = ( 0.2090196 0.2090196 0.5000000), wk = 0.0028249 k( 130) = ( 0.1999318 0.1999318 0.5000000), wk = 0.0028249 k( 131) = ( 0.1908440 0.1908440 0.5000000), wk = 0.0028249 k( 132) = ( 0.1817562 0.1817562 0.5000000), wk = 0.0028249 k( 133) = ( 0.1726684 0.1726684 0.5000000), wk = 0.0028249 k( 134) = ( 0.1635805 0.1635805 0.5000000), wk = 0.0028249 k( 135) = ( 0.1544927 0.1544927 0.5000000), wk = 0.0028249 k( 136) = ( 0.1454049 0.1454049 0.5000000), wk = 0.0028249 k( 137) = ( 0.1363171 0.1363171 0.5000000), wk = 0.0028249 k( 138) = ( 0.1272293 0.1272293 0.5000000), wk = 0.0028249 k( 139) = ( 0.1181415 0.1181415 0.5000000), wk = 0.0028249 k( 140) = ( 0.1090537 0.1090537 0.5000000), wk = 0.0028249 k( 141) = ( 0.0999659 0.0999659 0.5000000), wk = 0.0028249 k( 142) = ( 0.0908781 0.0908781 0.5000000), wk = 0.0028249 k( 143) = ( 0.0817903 0.0817903 0.5000000), wk = 0.0028249 k( 144) = ( 0.0727025 0.0727025 0.5000000), wk = 0.0028249 k( 145) = ( 0.0636147 0.0636147 0.5000000), wk = 0.0028249 k( 146) = ( 0.0545269 0.0545269 0.5000000), wk = 0.0028249 k( 147) = ( 0.0454390 0.0454390 0.5000000), wk = 0.0028249 k( 148) = ( 0.0363512 0.0363512 0.5000000), wk = 0.0028249 k( 149) = ( 0.0272634 0.0272634 0.5000000), wk = 0.0028249 k( 150) = ( 0.0181756 0.0181756 0.5000000), wk = 0.0028249 k( 151) = ( 0.0090878 0.0090878 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 0.3225807), 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 0.2741936), 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 0.1774194), 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) = ( -0.4909022 0.5090978 0.0000000), wk = 0.0028249 k( 222) = ( -0.4818043 0.5181957 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4727065 0.5272935 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4636086 0.5363914 0.0000000), wk = 0.0028249 k( 225) = ( -0.4545108 0.5454892 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4454130 0.5545870 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4363151 0.5636849 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4272173 0.5727827 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4181194 0.5818806 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4090216 0.5909784 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3999238 0.6000762 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3908259 0.6091741 0.0000000), wk = 0.0028249 k( 233) = ( -0.3817281 0.6182719 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3726302 0.6273698 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3635324 0.6364676 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3544346 0.6455654 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3453367 0.6546633 0.0000000), wk = 0.0028249 k( 238) = ( -0.3453367 0.6546633 0.0000000), wk = 0.0028249 k( 239) = ( -0.3453367 0.6546633 0.0161290), wk = 0.0028249 k( 240) = ( -0.3453367 0.6546633 0.0322581), wk = 0.0028249 k( 241) = ( -0.3453367 0.6546633 0.0483871), wk = 0.0028249 k( 242) = ( -0.3453367 0.6546633 0.0645161), wk = 0.0028249 k( 243) = ( -0.3453367 0.6546633 0.0806452), wk = 0.0028249 k( 244) = ( -0.3453367 0.6546633 0.0967742), wk = 0.0028249 k( 245) = ( -0.3453367 0.6546633 0.1129032), wk = 0.0028249 k( 246) = ( -0.3453367 0.6546633 0.1290323), wk = 0.0028249 k( 247) = ( -0.3453367 0.6546633 0.1451613), wk = 0.0028249 k( 248) = ( -0.3453367 0.6546633 0.1612903), wk = 0.0028249 k( 249) = ( -0.3453367 0.6546633 0.1774194), wk = 0.0028249 k( 250) = ( -0.3453367 0.6546633 0.1935484), wk = 0.0028249 k( 251) = ( -0.3453367 0.6546633 0.2096774), wk = 0.0028249 k( 252) = ( -0.3453367 0.6546633 0.2258064), wk = 0.0028249 k( 253) = ( -0.3453367 0.6546633 0.2419355), wk = 0.0028249 k( 254) = ( -0.3453367 0.6546633 0.2580645), wk = 0.0028249 k( 255) = ( -0.3453367 0.6546633 0.2741936), wk = 0.0028249 k( 256) = ( -0.3453367 0.6546633 0.2903226), wk = 0.0028249 k( 257) = ( -0.3453367 0.6546633 0.3064516), wk = 0.0028249 k( 258) = ( -0.3453367 0.6546633 0.3225807), wk = 0.0028249 k( 259) = ( -0.3453367 0.6546633 0.3387097), wk = 0.0028249 k( 260) = ( -0.3453367 0.6546633 0.3548387), wk = 0.0028249 k( 261) = ( -0.3453367 0.6546633 0.3709677), wk = 0.0028249 k( 262) = ( -0.3453367 0.6546633 0.3870968), wk = 0.0028249 k( 263) = ( -0.3453367 0.6546633 0.4032258), wk = 0.0028249 k( 264) = ( -0.3453367 0.6546633 0.4193548), wk = 0.0028249 k( 265) = ( -0.3453367 0.6546633 0.4354839), wk = 0.0028249 k( 266) = ( -0.3453367 0.6546633 0.4516129), wk = 0.0028249 k( 267) = ( -0.3453367 0.6546633 0.4677419), wk = 0.0028249 k( 268) = ( -0.3453367 0.6546633 0.4838710), wk = 0.0028249 k( 269) = ( -0.3453367 0.6546633 0.5000000), wk = 0.0028249 k( 270) = ( -0.3453367 0.6546633 0.5000000), wk = 0.0028249 k( 271) = ( -0.3544346 0.6455654 0.5000000), wk = 0.0028249 k( 272) = ( -0.3635324 0.6364676 0.5000000), wk = 0.0028249 k( 273) = ( -0.3726302 0.6273698 0.5000000), wk = 0.0028249 k( 274) = ( -0.3817281 0.6182719 0.5000000), wk = 0.0028249 k( 275) = ( -0.3908259 0.6091741 0.5000000), wk = 0.0028249 k( 276) = ( -0.3999238 0.6000762 0.5000000), wk = 0.0028249 k( 277) = ( -0.4090216 0.5909784 0.5000000), wk = 0.0028249 k( 278) = ( -0.4181194 0.5818806 0.5000000), wk = 0.0028249 k( 279) = ( -0.4272173 0.5727827 0.5000000), wk = 0.0028249 k( 280) = ( -0.4363151 0.5636849 0.5000000), wk = 0.0028249 k( 281) = ( -0.4454130 0.5545870 0.5000000), wk = 0.0028249 k( 282) = ( -0.4545108 0.5454892 0.5000000), wk = 0.0028249 k( 283) = ( -0.4636086 0.5363914 0.5000000), wk = 0.0028249 k( 284) = ( -0.4727065 0.5272935 0.5000000), wk = 0.0028249 k( 285) = ( -0.4818043 0.5181957 0.5000000), wk = 0.0028249 k( 286) = ( -0.4909022 0.5090978 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 0.3225807), 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 0.2741936), 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 0.1774194), 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: 89779 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39713 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 218, 58) NL pseudopotentials 0.23 Mb ( 109, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1868) G-vector shells 0.01 Mb ( 959) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 218, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.1 secs Computing kpt #: 3 total cpu time spent up to now is 47.1 secs Computing kpt #: 4 total cpu time spent up to now is 49.9 secs Computing kpt #: 5 total cpu time spent up to now is 52.7 secs Computing kpt #: 6 total cpu time spent up to now is 55.4 secs Computing kpt #: 7 total cpu time spent up to now is 58.0 secs Computing kpt #: 8 total cpu time spent up to now is 60.8 secs Computing kpt #: 9 total cpu time spent up to now is 63.5 secs Computing kpt #: 10 total cpu time spent up to now is 66.2 secs Computing kpt #: 11 total cpu time spent up to now is 68.8 secs Computing kpt #: 12 total cpu time spent up to now is 71.5 secs Computing kpt #: 13 total cpu time spent up to now is 74.1 secs Computing kpt #: 14 total cpu time spent up to now is 76.7 secs Computing kpt #: 15 total cpu time spent up to now is 79.3 secs Computing kpt #: 16 total cpu time spent up to now is 81.7 secs Computing kpt #: 17 total cpu time spent up to now is 84.0 secs Computing kpt #: 18 total cpu time spent up to now is 86.3 secs Computing kpt #: 19 total cpu time spent up to now is 88.5 secs Computing kpt #: 20 total cpu time spent up to now is 91.3 secs Computing kpt #: 21 total cpu time spent up to now is 93.8 secs Computing kpt #: 22 total cpu time spent up to now is 96.4 secs Computing kpt #: 23 total cpu time spent up to now is 98.6 secs Computing kpt #: 24 total cpu time spent up to now is 100.8 secs Computing kpt #: 25 total cpu time spent up to now is 103.0 secs Computing kpt #: 26 total cpu time spent up to now is 105.3 secs Computing kpt #: 27 total cpu time spent up to now is 107.8 secs Computing kpt #: 28 total cpu time spent up to now is 110.0 secs Computing kpt #: 29 total cpu time spent up to now is 112.3 secs Computing kpt #: 30 total cpu time spent up to now is 114.6 secs Computing kpt #: 31 total cpu time spent up to now is 117.3 secs Computing kpt #: 32 total cpu time spent up to now is 120.2 secs Computing kpt #: 33 total cpu time spent up to now is 122.4 secs Computing kpt #: 34 total cpu time spent up to now is 124.5 secs Computing kpt #: 35 total cpu time spent up to now is 127.3 secs Computing kpt #: 36 total cpu time spent up to now is 129.8 secs Computing kpt #: 37 total cpu time spent up to now is 132.2 secs Computing kpt #: 38 total cpu time spent up to now is 134.2 secs Computing kpt #: 39 total cpu time spent up to now is 136.4 secs Computing kpt #: 40 total cpu time spent up to now is 138.8 secs Computing kpt #: 41 total cpu time spent up to now is 140.9 secs Computing kpt #: 42 total cpu time spent up to now is 143.2 secs Computing kpt #: 43 total cpu time spent up to now is 145.4 secs Computing kpt #: 44 total cpu time spent up to now is 147.8 secs Computing kpt #: 45 total cpu time spent up to now is 149.9 secs Computing kpt #: 46 total cpu time spent up to now is 152.1 secs Computing kpt #: 47 total cpu time spent up to now is 154.3 secs Computing kpt #: 48 total cpu time spent up to now is 157.2 secs Computing kpt #: 49 total cpu time spent up to now is 159.6 secs Computing kpt #: 50 total cpu time spent up to now is 162.1 secs Computing kpt #: 51 total cpu time spent up to now is 164.7 secs Computing kpt #: 52 total cpu time spent up to now is 167.3 secs Computing kpt #: 53 total cpu time spent up to now is 169.6 secs Computing kpt #: 54 total cpu time spent up to now is 171.9 secs Computing kpt #: 55 total cpu time spent up to now is 174.6 secs Computing kpt #: 56 total cpu time spent up to now is 177.3 secs Computing kpt #: 57 total cpu time spent up to now is 180.0 secs Computing kpt #: 58 total cpu time spent up to now is 182.7 secs Computing kpt #: 59 total cpu time spent up to now is 185.7 secs Computing kpt #: 60 total cpu time spent up to now is 188.5 secs Computing kpt #: 61 total cpu time spent up to now is 191.4 secs Computing kpt #: 62 total cpu time spent up to now is 194.3 secs Computing kpt #: 63 total cpu time spent up to now is 197.0 secs Computing kpt #: 64 total cpu time spent up to now is 199.8 secs Computing kpt #: 65 total cpu time spent up to now is 202.3 secs Computing kpt #: 66 total cpu time spent up to now is 204.6 secs Computing kpt #: 67 total cpu time spent up to now is 207.0 secs Computing kpt #: 68 total cpu time spent up to now is 209.2 secs Computing kpt #: 69 total cpu time spent up to now is 211.6 secs Computing kpt #: 70 total cpu time spent up to now is 214.0 secs Computing kpt #: 71 total cpu time spent up to now is 216.5 secs Computing kpt #: 72 total cpu time spent up to now is 219.2 secs Computing kpt #: 73 total cpu time spent up to now is 222.0 secs Computing kpt #: 74 total cpu time spent up to now is 224.9 secs Computing kpt #: 75 total cpu time spent up to now is 227.9 secs Computing kpt #: 76 total cpu time spent up to now is 231.5 secs Computing kpt #: 77 total cpu time spent up to now is 235.2 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.4 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.4 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.9 secs Computing kpt #: 81 total cpu time spent up to now is 255.4 secs Computing kpt #: 82 total cpu time spent up to now is 259.5 secs Computing kpt #: 83 total cpu time spent up to now is 263.8 secs Computing kpt #: 84 total cpu time spent up to now is 267.3 secs Computing kpt #: 85 total cpu time spent up to now is 270.5 secs Computing kpt #: 86 total cpu time spent up to now is 273.6 secs Computing kpt #: 87 total cpu time spent up to now is 278.6 secs Computing kpt #: 88 total cpu time spent up to now is 281.5 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.3 secs Computing kpt #: 90 total cpu time spent up to now is 289.7 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.6 secs Computing kpt #: 92 total cpu time spent up to now is 297.7 secs Computing kpt #: 93 total cpu time spent up to now is 302.8 secs Computing kpt #: 94 total cpu time spent up to now is 305.9 secs Computing kpt #: 95 total cpu time spent up to now is 308.6 secs Computing kpt #: 96 total cpu time spent up to now is 311.4 secs Computing kpt #: 97 total cpu time spent up to now is 314.1 secs Computing kpt #: 98 total cpu time spent up to now is 317.4 secs Computing kpt #: 99 total cpu time spent up to now is 320.4 secs Computing kpt #: 100 total cpu time spent up to now is 323.7 secs Computing kpt #: 101 total cpu time spent up to now is 326.4 secs Computing kpt #: 102 total cpu time spent up to now is 329.2 secs Computing kpt #: 103 total cpu time spent up to now is 331.9 secs Computing kpt #: 104 total cpu time spent up to now is 334.8 secs Computing kpt #: 105 total cpu time spent up to now is 337.5 secs Computing kpt #: 106 total cpu time spent up to now is 340.3 secs Computing kpt #: 107 total cpu time spent up to now is 343.9 secs Computing kpt #: 108 total cpu time spent up to now is 346.7 secs Computing kpt #: 109 total cpu time spent up to now is 349.6 secs Computing kpt #: 110 total cpu time spent up to now is 352.4 secs Computing kpt #: 111 total cpu time spent up to now is 356.2 secs Computing kpt #: 112 total cpu time spent up to now is 359.3 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.9 secs Computing kpt #: 114 total cpu time spent up to now is 367.3 secs Computing kpt #: 115 total cpu time spent up to now is 370.9 secs Computing kpt #: 116 total cpu time spent up to now is 374.4 secs Computing kpt #: 117 total cpu time spent up to now is 377.2 secs Computing kpt #: 118 total cpu time spent up to now is 380.6 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 385.0 secs Computing kpt #: 120 total cpu time spent up to now is 388.3 secs Computing kpt #: 121 total cpu time spent up to now is 391.5 secs Computing kpt #: 122 total cpu time spent up to now is 395.6 secs Computing kpt #: 123 total cpu time spent up to now is 399.4 secs Computing kpt #: 124 total cpu time spent up to now is 402.6 secs Computing kpt #: 125 total cpu time spent up to now is 406.5 secs Computing kpt #: 126 total cpu time spent up to now is 409.3 secs Computing kpt #: 127 total cpu time spent up to now is 412.7 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 417.1 secs Computing kpt #: 129 total cpu time spent up to now is 419.7 secs Computing kpt #: 130 total cpu time spent up to now is 423.5 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.7 secs Computing kpt #: 132 total cpu time spent up to now is 433.7 secs Computing kpt #: 133 total cpu time spent up to now is 438.2 secs Computing kpt #: 134 total cpu time spent up to now is 442.8 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 447.3 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.0 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.7 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.4 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.1 secs Computing kpt #: 140 total cpu time spent up to now is 470.0 secs Computing kpt #: 141 total cpu time spent up to now is 474.0 secs Computing kpt #: 142 total cpu time spent up to now is 477.8 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.4 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.3 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.9 secs Computing kpt #: 146 total cpu time spent up to now is 495.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 500.7 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.4 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.1 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.0 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 519.9 secs Computing kpt #: 152 total cpu time spent up to now is 522.4 secs Computing kpt #: 153 total cpu time spent up to now is 524.5 secs Computing kpt #: 154 total cpu time spent up to now is 527.7 secs Computing kpt #: 155 total cpu time spent up to now is 529.9 secs Computing kpt #: 156 total cpu time spent up to now is 532.2 secs Computing kpt #: 157 total cpu time spent up to now is 534.5 secs Computing kpt #: 158 total cpu time spent up to now is 536.6 secs Computing kpt #: 159 total cpu time spent up to now is 538.8 secs Computing kpt #: 160 total cpu time spent up to now is 540.8 secs Computing kpt #: 161 total cpu time spent up to now is 542.8 secs Computing kpt #: 162 total cpu time spent up to now is 544.8 secs Computing kpt #: 163 total cpu time spent up to now is 547.2 secs Computing kpt #: 164 total cpu time spent up to now is 549.5 secs Computing kpt #: 165 total cpu time spent up to now is 551.4 secs Computing kpt #: 166 total cpu time spent up to now is 553.1 secs Computing kpt #: 167 total cpu time spent up to now is 555.1 secs Computing kpt #: 168 total cpu time spent up to now is 557.4 secs Computing kpt #: 169 total cpu time spent up to now is 559.4 secs Computing kpt #: 170 total cpu time spent up to now is 561.4 secs Computing kpt #: 171 total cpu time spent up to now is 563.5 secs Computing kpt #: 172 total cpu time spent up to now is 565.6 secs Computing kpt #: 173 total cpu time spent up to now is 567.9 secs Computing kpt #: 174 total cpu time spent up to now is 570.1 secs Computing kpt #: 175 total cpu time spent up to now is 572.1 secs Computing kpt #: 176 total cpu time spent up to now is 574.2 secs Computing kpt #: 177 total cpu time spent up to now is 576.4 secs Computing kpt #: 178 total cpu time spent up to now is 579.1 secs Computing kpt #: 179 total cpu time spent up to now is 581.4 secs Computing kpt #: 180 total cpu time spent up to now is 584.1 secs Computing kpt #: 181 total cpu time spent up to now is 586.7 secs Computing kpt #: 182 total cpu time spent up to now is 589.5 secs Computing kpt #: 183 total cpu time spent up to now is 592.5 secs Computing kpt #: 184 total cpu time spent up to now is 595.1 secs Computing kpt #: 185 total cpu time spent up to now is 597.9 secs Computing kpt #: 186 total cpu time spent up to now is 600.6 secs Computing kpt #: 187 total cpu time spent up to now is 604.3 secs Computing kpt #: 188 total cpu time spent up to now is 607.2 secs Computing kpt #: 189 total cpu time spent up to now is 609.9 secs Computing kpt #: 190 total cpu time spent up to now is 612.6 secs Computing kpt #: 191 total cpu time spent up to now is 615.3 secs Computing kpt #: 192 total cpu time spent up to now is 617.6 secs Computing kpt #: 193 total cpu time spent up to now is 620.1 secs Computing kpt #: 194 total cpu time spent up to now is 622.7 secs Computing kpt #: 195 total cpu time spent up to now is 625.0 secs Computing kpt #: 196 total cpu time spent up to now is 627.2 secs Computing kpt #: 197 total cpu time spent up to now is 629.5 secs Computing kpt #: 198 total cpu time spent up to now is 631.9 secs Computing kpt #: 199 total cpu time spent up to now is 634.0 secs Computing kpt #: 200 total cpu time spent up to now is 636.2 secs Computing kpt #: 201 total cpu time spent up to now is 638.4 secs Computing kpt #: 202 total cpu time spent up to now is 640.8 secs Computing kpt #: 203 total cpu time spent up to now is 643.1 secs Computing kpt #: 204 total cpu time spent up to now is 645.8 secs Computing kpt #: 205 total cpu time spent up to now is 647.9 secs Computing kpt #: 206 total cpu time spent up to now is 650.2 secs Computing kpt #: 207 total cpu time spent up to now is 652.3 secs Computing kpt #: 208 total cpu time spent up to now is 654.7 secs Computing kpt #: 209 total cpu time spent up to now is 656.8 secs Computing kpt #: 210 total cpu time spent up to now is 659.0 secs Computing kpt #: 211 total cpu time spent up to now is 661.2 secs Computing kpt #: 212 total cpu time spent up to now is 663.6 secs Computing kpt #: 213 total cpu time spent up to now is 665.8 secs Computing kpt #: 214 total cpu time spent up to now is 668.1 secs Computing kpt #: 215 total cpu time spent up to now is 670.3 secs Computing kpt #: 216 total cpu time spent up to now is 672.8 secs Computing kpt #: 217 total cpu time spent up to now is 675.4 secs Computing kpt #: 218 total cpu time spent up to now is 678.1 secs Computing kpt #: 219 total cpu time spent up to now is 680.9 secs Computing kpt #: 220 total cpu time spent up to now is 685.1 secs Computing kpt #: 221 total cpu time spent up to now is 689.1 secs Computing kpt #: 222 total cpu time spent up to now is 692.0 secs Computing kpt #: 223 total cpu time spent up to now is 694.7 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 699.5 secs Computing kpt #: 225 total cpu time spent up to now is 703.1 secs Computing kpt #: 226 total cpu time spent up to now is 706.0 secs Computing kpt #: 227 total cpu time spent up to now is 708.6 secs Computing kpt #: 228 total cpu time spent up to now is 711.2 secs Computing kpt #: 229 total cpu time spent up to now is 713.9 secs Computing kpt #: 230 total cpu time spent up to now is 716.5 secs Computing kpt #: 231 total cpu time spent up to now is 719.1 secs Computing kpt #: 232 total cpu time spent up to now is 721.5 secs Computing kpt #: 233 total cpu time spent up to now is 724.5 secs Computing kpt #: 234 total cpu time spent up to now is 727.0 secs Computing kpt #: 235 total cpu time spent up to now is 730.9 secs Computing kpt #: 236 total cpu time spent up to now is 733.6 secs Computing kpt #: 237 total cpu time spent up to now is 736.0 secs Computing kpt #: 238 total cpu time spent up to now is 738.1 secs Computing kpt #: 239 total cpu time spent up to now is 740.2 secs Computing kpt #: 240 total cpu time spent up to now is 742.9 secs Computing kpt #: 241 total cpu time spent up to now is 747.1 secs Computing kpt #: 242 total cpu time spent up to now is 749.2 secs Computing kpt #: 243 total cpu time spent up to now is 751.3 secs Computing kpt #: 244 total cpu time spent up to now is 753.5 secs Computing kpt #: 245 total cpu time spent up to now is 756.0 secs Computing kpt #: 246 total cpu time spent up to now is 758.2 secs Computing kpt #: 247 total cpu time spent up to now is 760.3 secs Computing kpt #: 248 total cpu time spent up to now is 762.6 secs Computing kpt #: 249 total cpu time spent up to now is 765.1 secs Computing kpt #: 250 total cpu time spent up to now is 767.4 secs Computing kpt #: 251 total cpu time spent up to now is 769.6 secs Computing kpt #: 252 total cpu time spent up to now is 772.0 secs Computing kpt #: 253 total cpu time spent up to now is 774.3 secs Computing kpt #: 254 total cpu time spent up to now is 776.8 secs Computing kpt #: 255 total cpu time spent up to now is 779.1 secs Computing kpt #: 256 total cpu time spent up to now is 781.6 secs Computing kpt #: 257 total cpu time spent up to now is 783.8 secs Computing kpt #: 258 total cpu time spent up to now is 786.0 secs Computing kpt #: 259 total cpu time spent up to now is 788.4 secs Computing kpt #: 260 total cpu time spent up to now is 790.8 secs Computing kpt #: 261 total cpu time spent up to now is 793.2 secs Computing kpt #: 262 total cpu time spent up to now is 795.7 secs Computing kpt #: 263 total cpu time spent up to now is 798.2 secs Computing kpt #: 264 total cpu time spent up to now is 801.3 secs Computing kpt #: 265 total cpu time spent up to now is 804.2 secs Computing kpt #: 266 total cpu time spent up to now is 806.7 secs Computing kpt #: 267 total cpu time spent up to now is 809.5 secs Computing kpt #: 268 total cpu time spent up to now is 812.5 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 817.0 secs Computing kpt #: 270 total cpu time spent up to now is 821.2 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.1 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 830.7 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 835.8 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 840.5 secs Computing kpt #: 275 total cpu time spent up to now is 843.8 secs Computing kpt #: 276 total cpu time spent up to now is 847.2 secs Computing kpt #: 277 total cpu time spent up to now is 851.5 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 856.3 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 861.1 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 865.9 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 870.8 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 875.7 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 880.6 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 885.4 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 890.3 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 894.8 secs Computing kpt #: 287 total cpu time spent up to now is 896.8 secs Computing kpt #: 288 total cpu time spent up to now is 899.1 secs Computing kpt #: 289 total cpu time spent up to now is 901.8 secs Computing kpt #: 290 total cpu time spent up to now is 904.5 secs Computing kpt #: 291 total cpu time spent up to now is 906.7 secs Computing kpt #: 292 total cpu time spent up to now is 908.8 secs Computing kpt #: 293 total cpu time spent up to now is 911.3 secs Computing kpt #: 294 total cpu time spent up to now is 913.4 secs Computing kpt #: 295 total cpu time spent up to now is 915.4 secs Computing kpt #: 296 total cpu time spent up to now is 917.4 secs Computing kpt #: 297 total cpu time spent up to now is 919.5 secs Computing kpt #: 298 total cpu time spent up to now is 921.7 secs Computing kpt #: 299 total cpu time spent up to now is 923.7 secs Computing kpt #: 300 total cpu time spent up to now is 925.7 secs Computing kpt #: 301 total cpu time spent up to now is 927.7 secs Computing kpt #: 302 total cpu time spent up to now is 930.0 secs Computing kpt #: 303 total cpu time spent up to now is 932.1 secs Computing kpt #: 304 total cpu time spent up to now is 934.1 secs Computing kpt #: 305 total cpu time spent up to now is 936.3 secs Computing kpt #: 306 total cpu time spent up to now is 938.4 secs Computing kpt #: 307 total cpu time spent up to now is 940.6 secs Computing kpt #: 308 total cpu time spent up to now is 942.9 secs Computing kpt #: 309 total cpu time spent up to now is 945.5 secs Computing kpt #: 310 total cpu time spent up to now is 947.7 secs Computing kpt #: 311 total cpu time spent up to now is 950.1 secs Computing kpt #: 312 total cpu time spent up to now is 952.7 secs Computing kpt #: 313 total cpu time spent up to now is 955.3 secs Computing kpt #: 314 total cpu time spent up to now is 958.2 secs Computing kpt #: 315 total cpu time spent up to now is 960.8 secs Computing kpt #: 316 total cpu time spent up to now is 963.5 secs Computing kpt #: 317 total cpu time spent up to now is 967.6 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 972.5 secs Computing kpt #: 319 total cpu time spent up to now is 976.2 secs Computing kpt #: 320 total cpu time spent up to now is 978.5 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 983.3 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 988.1 secs Computing kpt #: 323 total cpu time spent up to now is 992.9 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 997.5 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1002.3 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1008.3 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1013.0 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1017.7 secs Computing kpt #: 329 total cpu time spent up to now is 1021.6 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1026.3 secs Computing kpt #: 331 total cpu time spent up to now is 1032.2 secs Computing kpt #: 332 total cpu time spent up to now is 1036.1 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1040.8 secs Computing kpt #: 334 total cpu time spent up to now is 1045.3 secs Computing kpt #: 335 total cpu time spent up to now is 1050.6 secs Computing kpt #: 336 total cpu time spent up to now is 1055.2 secs Computing kpt #: 337 total cpu time spent up to now is 1059.7 secs Computing kpt #: 338 total cpu time spent up to now is 1064.0 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1068.8 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1073.7 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.4 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1083.4 secs Computing kpt #: 343 total cpu time spent up to now is 1087.3 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1091.8 secs Computing kpt #: 345 total cpu time spent up to now is 1096.2 secs Computing kpt #: 346 total cpu time spent up to now is 1100.0 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1105.5 secs Computing kpt #: 348 total cpu time spent up to now is 1109.5 secs Computing kpt #: 349 total cpu time spent up to now is 1113.0 secs Computing kpt #: 350 total cpu time spent up to now is 1117.6 secs Computing kpt #: 351 total cpu time spent up to now is 1121.9 secs Computing kpt #: 352 total cpu time spent up to now is 1126.1 secs Computing kpt #: 353 total cpu time spent up to now is 1131.0 secs Computing kpt #: 354 total cpu time spent up to now is 1133.0 secs ethr = 2.08E-11, avg # of iterations = 56.9 total cpu time spent up to now is 1133.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4949 PWs) bands (ev): -13.4552 -13.4552 -12.6856 -12.6856 -11.2816 -11.2816 -9.9370 -9.9370 -9.8383 -9.8383 -9.5630 -9.5630 -4.4422 -4.4422 -3.9337 -3.9337 -3.8218 -3.8218 -1.1411 -1.1411 -0.8267 -0.8267 -0.7665 -0.7665 0.2320 0.2320 1.0224 1.0224 1.4688 1.4688 1.5209 1.5209 2.3958 2.3958 2.6961 2.6961 3.1873 3.1873 3.4567 3.4567 3.7477 3.7477 3.8883 3.8883 3.9501 3.9501 3.9984 3.9984 7.2295 7.2295 9.2628 9.2628 9.8938 9.8938 10.4544 10.4544 12.1377 12.1377 k = 0.0091 0.0147-0.0000 ( 4949 PWs) bands (ev): -13.4546 -13.4546 -12.6857 -12.6857 -11.2813 -11.2811 -9.9694 -9.9551 -9.8229 -9.8068 -9.5632 -9.5622 -4.4416 -4.4412 -3.9631 -3.9567 -3.7968 -3.7884 -1.1537 -1.1357 -0.8283 -0.8277 -0.7710 -0.7583 0.2343 0.2380 1.0229 1.0233 1.4649 1.4667 1.5184 1.5185 2.3963 2.3965 2.6945 2.6961 3.1890 3.1892 3.4540 3.4552 3.7386 3.7437 3.8874 3.8879 3.9527 3.9555 3.9984 3.9985 7.2336 7.2336 9.2648 9.2659 9.8944 9.8949 10.4553 10.4558 12.1099 12.1254 k = 0.0182 0.0294-0.0000 ( 4961 PWs) bands (ev): -13.4530 -13.4529 -12.6858 -12.6857 -11.2801 -11.2798 -10.0201 -10.0033 -9.7808 -9.7604 -9.5627 -9.5606 -4.4394 -4.4385 -4.0116 -4.0046 -3.7409 -3.7298 -1.1725 -1.1381 -0.8328 -0.8308 -0.7712 -0.7467 0.2448 0.2522 1.0246 1.0255 1.4550 1.4585 1.5108 1.5109 2.3980 2.3985 2.6914 2.6945 3.1943 3.1947 3.4468 3.4492 3.7187 3.7279 3.8857 3.8864 3.9622 3.9671 3.9984 3.9985 7.2458 7.2458 9.2717 9.2738 9.8968 9.8977 10.4585 10.4594 12.0743 12.0893 k = 0.0273 0.0441-0.0000 ( 4955 PWs) bands (ev): -13.4502 -13.4501 -12.6859 -12.6858 -11.2782 -11.2777 -10.0760 -10.0592 -9.7345 -9.7123 -9.5614 -9.5583 -4.4356 -4.4343 -4.0619 -4.0555 -3.6759 -3.6634 -1.1964 -1.1482 -0.8401 -0.8361 -0.7669 -0.7324 0.2632 0.2741 1.0276 1.0290 1.4392 1.4443 1.4984 1.4985 2.4010 2.4016 2.6868 2.6916 3.2028 3.2034 3.4347 3.4384 3.6919 3.7041 3.8830 3.8837 3.9756 3.9818 3.9984 3.9985 7.2658 7.2658 9.2834 9.2866 9.9008 9.9022 10.4639 10.4652 12.0353 12.0490 k = 0.0364 0.0589-0.0000 ( 4955 PWs) bands (ev): -13.4462 -13.4461 -12.6861 -12.6860 -11.2755 -11.2748 -10.1344 -10.1181 -9.6887 -9.6653 -9.5595 -9.5554 -4.4302 -4.4284 -4.1105 -4.1049 -3.6064 -3.5927 -1.2245 -1.1656 -0.8504 -0.8438 -0.7577 -0.7156 0.2889 0.3032 1.0319 1.0337 1.4173 1.4242 1.4813 1.4814 2.4050 2.4057 2.6812 2.6875 3.2140 3.2146 3.4173 3.4220 3.6617 3.6761 3.8794 3.8801 3.9903 3.9969 3.9983 3.9988 7.2934 7.2935 9.2997 9.3039 9.9066 9.9085 10.4714 10.4731 11.9936 12.0060 k = 0.0454 0.0736-0.0000 ( 4955 PWs) bands (ev): -13.4412 -13.4411 -12.6863 -12.6862 -11.2719 -11.2710 -10.1944 -10.1787 -9.6447 -9.6200 -9.5568 -9.5517 -4.4232 -4.4209 -4.1565 -4.1517 -3.5336 -3.5188 -1.2559 -1.1890 -0.8634 -0.8541 -0.7438 -0.6967 0.3211 0.3386 1.0375 1.0398 1.3896 1.3981 1.4595 1.4600 2.4099 2.4105 2.6746 2.6825 3.2272 3.2276 3.3942 3.3994 3.6309 3.6469 3.8750 3.8755 3.9980 3.9983 4.0050 4.0121 7.3282 7.3284 9.3204 9.3255 9.9140 9.9163 10.4809 10.4831 11.9497 11.9607 k = 0.0545 0.0883-0.0000 ( 4963 PWs) bands (ev): -13.4351 -13.4350 -12.6866 -12.6865 -11.2675 -11.2665 -10.2556 -10.2407 -9.6031 -9.5771 -9.5531 -9.5474 -4.4146 -4.4119 -4.1994 -4.1955 -3.4581 -3.4423 -1.2898 -1.2173 -0.8790 -0.8671 -0.7256 -0.6756 0.3590 0.3797 1.0442 1.0470 1.3561 1.3663 1.4335 1.4346 2.4154 2.4159 2.6675 2.6769 3.2407 3.2410 3.3659 3.3707 3.6018 3.6185 3.8698 3.8702 3.9977 3.9981 4.0187 4.0257 7.3697 7.3699 9.3450 9.3511 9.9229 9.9258 10.4922 10.4949 11.9038 11.9135 k = 0.0636 0.1030-0.0000 ( 4963 PWs) bands (ev): -13.4280 -13.4278 -12.6870 -12.6868 -11.2623 -11.2611 -10.3177 -10.3035 -9.5656 -9.5471 -9.5432 -9.5360 -4.4044 -4.4014 -4.2391 -4.2360 -3.3802 -3.3634 -1.3254 -1.2492 -0.8972 -0.8827 -0.7035 -0.6522 0.4020 0.4254 1.0521 1.0554 1.3170 1.3289 1.4033 1.4053 2.4212 2.4214 2.6601 2.6710 3.2500 3.2525 3.3358 3.3382 3.5754 3.5922 3.8640 3.8642 3.9973 3.9977 4.0313 4.0382 7.4172 7.4176 9.3733 9.3803 9.9334 9.9369 10.5052 10.5083 11.8560 11.8644 k = 0.0727 0.1177-0.0000 ( 4963 PWs) bands (ev): -13.4197 -13.4195 -12.6874 -12.6872 -11.2562 -11.2548 -10.3805 -10.3670 -9.5479 -9.5372 -9.5234 -9.4987 -4.3927 -4.3893 -4.2754 -4.2731 -3.3002 -3.2824 -1.3621 -1.2834 -0.9179 -0.9008 -0.6780 -0.6265 0.4492 0.4752 1.0611 1.0649 1.2724 1.2860 1.3694 1.3724 2.4268 2.4270 2.6526 2.6650 3.2426 3.2498 3.3141 3.3171 3.5518 3.5683 3.8575 3.8576 3.9967 3.9972 4.0428 4.0495 7.4703 7.4708 9.4048 9.4125 9.9455 9.9495 10.5194 10.5231 11.8065 11.8136 k = 0.0818 0.1324-0.0000 ( 4959 PWs) bands (ev): -13.4105 -13.4103 -12.6878 -12.6876 -11.2493 -11.2477 -10.4437 -10.4309 -9.5417 -9.5310 -9.4905 -9.4639 -4.3795 -4.3757 -4.3083 -4.3069 -3.2182 -3.1995 -1.3993 -1.3192 -0.9410 -0.9214 -0.6492 -0.5985 0.4999 0.5283 1.0710 1.0755 1.2227 1.2379 1.3319 1.3363 2.4316 2.4323 2.6454 2.6593 3.2084 3.2170 3.3149 3.3202 3.5309 3.5466 3.8506 3.8506 3.9959 3.9965 4.0534 4.0598 7.5283 7.5290 9.4390 9.4474 9.9589 9.9636 10.5348 10.5389 11.7555 11.7614 k = 0.0909 0.1472-0.0000 ( 4963 PWs) bands (ev): -13.4003 -13.4000 -12.6883 -12.6881 -11.2415 -11.2397 -10.5073 -10.4952 -9.5357 -9.5243 -9.4595 -9.4320 -4.3649 -4.3610 -4.3376 -4.3371 -3.1345 -3.1150 -1.4364 -1.3556 -0.9664 -0.9442 -0.6174 -0.5679 0.5534 0.5840 1.0818 1.0871 1.1681 1.1847 1.2911 1.2971 2.4355 2.4366 2.6387 2.6539 3.1605 3.1684 3.3274 3.3329 3.5120 3.5267 3.8431 3.8434 3.9949 3.9956 4.0633 4.0693 7.5905 7.5915 9.4755 9.4845 9.9738 9.9792 10.5507 10.5553 11.7032 11.7079 k = 0.1000 0.1619-0.0000 ( 4972 PWs) bands (ev): -13.3892 -13.3889 -12.6889 -12.6887 -11.2328 -11.2308 -10.5711 -10.5596 -9.5293 -9.5170 -9.4314 -9.4032 -4.3652 -4.3645 -4.3484 -4.3434 -3.0493 -3.0289 -1.4730 -1.3919 -0.9939 -0.9693 -0.5828 -0.5348 0.6092 0.6417 1.0920 1.0995 1.1101 1.1268 1.2474 1.2552 2.4378 2.4394 2.6330 2.6492 3.1072 3.1144 3.3418 3.3476 3.4949 3.5086 3.8355 3.8358 3.9938 3.9945 4.0726 4.0783 7.6565 7.6577 9.5138 9.5233 9.9901 9.9961 10.5667 10.5719 11.6498 11.6535 k = 0.1091 0.1766-0.0000 ( 4968 PWs) bands (ev): -13.3771 -13.3768 -12.6895 -12.6893 -11.2232 -11.2210 -10.6348 -10.6240 -9.5225 -9.5093 -9.4063 -9.3774 -4.3882 -4.3881 -4.3310 -4.3259 -2.9628 -2.9416 -1.5086 -1.4276 -1.0234 -0.9964 -0.5454 -0.4990 0.6668 0.7009 1.0441 1.0639 1.1062 1.1128 1.2012 1.2113 2.4383 2.4402 2.6284 2.6455 3.0514 3.0580 3.3551 3.3616 3.4800 3.4923 3.8277 3.8282 3.9926 3.9933 4.0816 4.0868 7.7256 7.7271 9.5535 9.5634 10.0077 10.0145 10.5823 10.5881 11.5956 11.5984 k = 0.1181 0.1913-0.0000 ( 4968 PWs) bands (ev): -13.3641 -13.3638 -12.6902 -12.6900 -11.2127 -11.2103 -10.6985 -10.6882 -9.5153 -9.5010 -9.3842 -9.3548 -4.4090 -4.4084 -4.3121 -4.3067 -2.8752 -2.8531 -1.5427 -1.4620 -1.0549 -1.0254 -0.5053 -0.4607 0.7256 0.7608 0.9766 0.9968 1.1162 1.1255 1.1538 1.1675 2.4365 2.4383 2.6252 2.6428 2.9945 3.0008 3.3657 3.3732 3.4679 3.4787 3.8198 3.8205 3.9913 3.9921 4.0902 4.0951 7.7972 7.7991 9.5940 9.6042 10.0266 10.0342 10.5968 10.6031 11.5410 11.5432 k = 0.1272 0.2060-0.0000 ( 4974 PWs) bands (ev): -13.3504 -13.3500 -12.6910 -12.6907 -11.2012 -11.1986 -10.7619 -10.7522 -9.5076 -9.4924 -9.3651 -9.3352 -4.4269 -4.4258 -4.2919 -4.2862 -2.7865 -2.7637 -1.5749 -1.4948 -1.0882 -1.0563 -0.4627 -0.4199 0.7849 0.8185 0.9076 0.9254 1.1001 1.1038 1.1435 1.1450 2.4320 2.4336 2.6235 2.6413 2.9375 2.9436 3.3714 3.3804 3.4604 3.4692 3.8121 3.8129 3.9899 3.9908 4.0985 4.1031 7.8708 7.8731 9.6351 9.6454 10.0470 10.0555 10.6091 10.6161 11.4866 11.4884 k = 0.1363 0.2207-0.0000 ( 4976 PWs) bands (ev): -13.3358 -13.3354 -12.6917 -12.6915 -11.1888 -11.1859 -10.8250 -10.8159 -9.4996 -9.4833 -9.3489 -9.3188 -4.4421 -4.4407 -4.2705 -4.2645 -2.6972 -2.6735 -1.6049 -1.5255 -1.1231 -1.0888 -0.4175 -0.3765 0.8175 0.8420 0.8517 0.8937 1.0495 1.0583 1.1546 1.1581 2.4248 2.4257 2.6231 2.6408 2.8811 2.8874 3.3710 3.3814 3.4585 3.4655 3.8045 3.8054 3.9886 3.9894 4.1065 4.1108 7.9460 7.9488 9.6763 9.6865 10.0688 10.0782 10.6184 10.6260 11.4332 11.4349 k = 0.1454 0.2355-0.0000 ( 4980 PWs) bands (ev): -13.3206 -13.3201 -12.6926 -12.6923 -11.1753 -11.1723 -10.8876 -10.8790 -9.4912 -9.4740 -9.3358 -9.3053 -4.4549 -4.4531 -4.2478 -4.2416 -2.6072 -2.5828 -1.6322 -1.5537 -1.1595 -1.1228 -0.3699 -0.3306 0.7418 0.7700 0.8992 0.9505 1.0010 1.0072 1.1690 1.1738 2.4148 2.4149 2.6235 2.6410 2.8261 2.8327 3.3649 3.3762 3.4618 3.4676 3.7973 3.7983 3.9873 3.9882 4.1141 4.1181 8.0222 8.0256 9.7172 9.7274 10.0922 10.1025 10.6233 10.6316 11.3817 11.3835 k = 0.1545 0.2502-0.0000 ( 4976 PWs) bands (ev): -13.3046 -13.3042 -12.6935 -12.6932 -11.1609 -11.1576 -10.9496 -10.9415 -9.4825 -9.4643 -9.3254 -9.2948 -4.4654 -4.4634 -4.2240 -4.2176 -2.5169 -2.4918 -1.6567 -1.5792 -1.1972 -1.1581 -0.3200 -0.2824 0.6587 0.6867 0.9164 0.9538 0.9889 1.0109 1.1850 1.1901 2.4011 2.4021 2.6239 2.6411 2.7734 2.7806 3.3553 3.3668 3.4682 3.4735 3.7904 3.7916 3.9862 3.9871 4.1210 4.1248 8.0991 8.1031 9.7578 9.7676 10.1173 10.1285 10.6224 10.6316 11.3333 11.3355 k = 0.1636 0.2649-0.0000 ( 4984 PWs) bands (ev): -13.2881 -13.2876 -12.6945 -12.6942 -11.1454 -11.1418 -11.0109 -11.0033 -9.4736 -9.4545 -9.3178 -9.2872 -4.4740 -4.4719 -4.1992 -4.1926 -2.4264 -2.4005 -1.6778 -1.6015 -1.2360 -1.1946 -0.2679 -0.2319 0.5716 0.5997 0.8719 0.8997 1.0371 1.0700 1.2026 1.2070 2.3847 2.3867 2.6225 2.6393 2.7249 2.7327 3.3442 3.3554 3.4758 3.4811 3.7842 3.7854 3.9854 3.9863 4.1272 4.1308 8.1764 8.1809 9.7976 9.8070 10.1442 10.1563 10.6145 10.6245 11.2892 11.2920 k = 0.1727 0.2796-0.0000 ( 4976 PWs) bands (ev): -13.2710 -13.2705 -12.6955 -12.6952 -11.1290 -11.1251 -11.0713 -11.0643 -9.4646 -9.4445 -9.3129 -9.2822 -4.4810 -4.4787 -4.1734 -4.1666 -2.3361 -2.3094 -1.6954 -1.6203 -1.2756 -1.2320 -0.2137 -0.1793 0.4812 0.5095 0.8174 0.8448 1.0933 1.1259 1.2232 1.2249 2.3655 2.3688 2.6153 2.6295 2.6867 2.6933 3.3327 3.3435 3.4836 3.4891 3.7786 3.7798 3.9849 3.9857 4.1324 4.1359 8.2535 8.2587 9.8367 9.8455 10.1730 10.1861 10.5981 10.6090 11.2507 11.2543 k = 0.1818 0.2943-0.0000 ( 4972 PWs) bands (ev): -13.2534 -13.2529 -12.6965 -12.6963 -11.1318 -11.1247 -11.1105 -11.1069 -9.4554 -9.4345 -9.3105 -9.2799 -4.4866 -4.4843 -4.1467 -4.1398 -2.2461 -2.2185 -1.7090 -1.6354 -1.3159 -1.2700 -0.1576 -0.1248 0.3878 0.4162 0.7610 0.7895 1.1480 1.1737 1.2450 1.2510 2.3437 2.3482 2.5950 2.6016 2.6693 2.6696 3.3215 3.3318 3.4909 3.4968 3.7738 3.7750 3.9849 3.9857 4.1364 4.1398 8.3303 8.3362 9.8748 9.8830 10.2039 10.2179 10.5725 10.5841 11.2185 11.2231 k = 0.1908 0.3090-0.0000 ( 4968 PWs) bands (ev): -13.2354 -13.2348 -12.6977 -12.6974 -11.1901 -11.1837 -11.0922 -11.0880 -9.4463 -9.4245 -9.3103 -9.2800 -4.4912 -4.4888 -4.1193 -4.1122 -2.1569 -2.1282 -1.7183 -1.6465 -1.3566 -1.3086 -0.0998 -0.0686 0.2919 0.3201 0.7041 0.7340 1.1961 1.2077 1.2711 1.2917 2.3191 2.3247 2.5630 2.5637 2.6605 2.6648 3.3112 3.3208 3.4976 3.5039 3.7698 3.7710 3.9854 3.9861 4.1390 4.1423 8.4065 8.4131 9.9121 9.9196 10.2371 10.2518 10.5375 10.5497 11.1928 11.1984 k = 0.1999 0.3238-0.0000 ( 4958 PWs) bands (ev): -13.2170 -13.2164 -12.6988 -12.6986 -11.2478 -11.2419 -11.0724 -11.0678 -9.4372 -9.4146 -9.3124 -9.2823 -4.4949 -4.4925 -4.0911 -4.0840 -2.0691 -2.0389 -1.7227 -1.6532 -1.3974 -1.3473 -0.0405 -0.0112 0.1940 0.2216 0.6472 0.6786 1.2302 1.2314 1.3088 1.3426 2.2915 2.2982 2.5261 2.5283 2.6572 2.6633 3.3019 3.3109 3.5035 3.5102 3.7668 3.7679 3.9866 3.9873 4.1400 4.1433 8.4817 8.4891 9.9486 9.9554 10.2724 10.2878 10.4938 10.5062 11.1733 11.1798 k = 0.2090 0.3385-0.0000 ( 4962 PWs) bands (ev): -13.1983 -13.1978 -12.7000 -12.6998 -11.3045 -11.2989 -11.0513 -11.0464 -9.4283 -9.4048 -9.3165 -9.2867 -4.4982 -4.4958 -4.0624 -4.0553 -1.9835 -1.9511 -1.7212 -1.6548 -1.4380 -1.3858 0.0194 0.0426 0.0989 0.1214 0.5904 0.6233 1.2469 1.2546 1.3572 1.3974 2.2606 2.2683 2.4917 2.4957 2.6554 2.6621 3.2939 3.3021 3.5084 3.5155 3.7648 3.7658 3.9886 3.9892 4.1391 4.1425 8.5559 8.5641 9.9844 9.9904 10.3099 10.3256 10.4425 10.4548 11.1588 11.1661 k = 0.2181 0.3532-0.0000 ( 4966 PWs) bands (ev): -13.1795 -13.1789 -12.7012 -12.7010 -11.3600 -11.3547 -11.0290 -11.0239 -9.4197 -9.3954 -9.3225 -9.2931 -4.5012 -4.4988 -4.0333 -4.0261 -1.9025 -1.8658 -1.7117 -1.6505 -1.4781 -1.4240 -0.0142 0.0151 0.0843 0.1136 0.5341 0.5684 1.2607 1.2714 1.4101 1.4533 2.2265 2.2349 2.4618 2.4667 2.6534 2.6603 3.2872 3.2946 3.5123 3.5200 3.7639 3.7647 3.9915 3.9920 4.1363 4.1398 8.6288 8.6378 10.0196 10.0250 10.3493 10.3622 10.3880 10.3972 11.1482 11.1558 k = 0.2272 0.3679-0.0000 ( 4958 PWs) bands (ev): -13.1605 -13.1599 -12.7025 -12.7023 -11.4142 -11.4094 -11.0056 -11.0001 -9.4114 -9.3864 -9.3301 -9.3012 -4.5041 -4.5018 -4.0037 -3.9967 -1.8309 -1.7859 -1.6894 -1.6376 -1.5172 -1.4614 -0.1168 -0.0881 0.1451 0.1732 0.4783 0.5140 1.2728 1.2850 1.4642 1.5090 2.1896 2.1983 2.4364 2.4419 2.6507 2.6575 3.2818 3.2885 3.5153 3.5234 3.7642 3.7648 3.9955 3.9959 4.1315 4.1350 8.7002 8.7101 10.0545 10.0591 10.3194 10.3327 10.3924 10.4099 11.1399 11.1475 k = 0.2363 0.3826-0.0000 ( 4968 PWs) bands (ev): -13.1414 -13.1408 -12.7038 -12.7036 -11.4672 -11.4627 -10.9808 -10.9750 -9.4036 -9.3779 -9.3392 -9.3108 -4.5072 -4.5049 -3.9740 -3.9670 -1.7772 -1.7187 -1.6461 -1.6090 -1.5550 -1.4976 -0.2220 -0.1940 0.2071 0.2343 0.4234 0.4602 1.2834 1.2968 1.5181 1.5639 2.1503 2.1592 2.4153 2.4211 2.6469 2.6536 3.2779 3.2838 3.5172 3.5259 3.7657 3.7660 4.0006 4.0009 4.1244 4.1280 8.7702 8.7809 10.0891 10.0929 10.2532 10.2658 10.4360 10.4534 11.1322 11.1390 k = 0.2454 0.3973-0.0000 ( 4964 PWs) bands (ev): -13.1224 -13.1217 -12.7051 -12.7049 -11.5189 -11.5146 -10.9549 -10.9487 -9.3964 -9.3699 -9.3496 -9.3218 -4.5107 -4.5084 -3.9442 -3.9374 -1.7414 -1.6732 -1.5910 -1.5820 -1.5558 -1.5321 -0.3285 -0.3011 0.2677 0.2954 0.3703 0.4070 1.2930 1.3072 1.5713 1.6178 2.1091 2.1180 2.3982 2.4041 2.6419 2.6485 3.2754 3.2806 3.5182 3.5273 3.7683 3.7684 4.0070 4.0072 4.1152 4.1189 8.8386 8.8501 10.1234 10.1256 10.1847 10.1957 10.4818 10.4990 11.1227 11.1276 k = 0.2545 0.4121-0.0000 ( 4968 PWs) bands (ev): -13.1034 -13.1027 -12.7064 -12.7063 -11.5691 -11.5651 -10.9276 -10.9211 -9.3898 -9.3628 -9.3611 -9.3340 -4.5145 -4.5123 -3.9144 -3.9077 -1.7140 -1.6425 -1.6241 -1.5656 -1.5076 -1.4841 -0.4358 -0.4090 0.3015 0.3440 0.3489 0.3614 1.3017 1.3165 1.6234 1.6704 2.0667 2.0754 2.3847 2.3905 2.6357 2.6421 3.2743 3.2786 3.5182 3.5278 3.7719 3.7723 4.0147 4.0148 4.1037 4.1075 8.9053 8.9177 10.1092 10.1235 10.1576 10.1630 10.5294 10.5464 11.1064 11.1085 k = 0.2635 0.4268-0.0000 ( 4972 PWs) bands (ev): -13.0846 -13.0839 -12.7076 -12.7076 -11.6179 -11.6142 -10.8992 -10.8923 -9.3841 -9.3735 -9.3564 -9.3472 -4.5190 -4.5167 -3.8848 -3.8783 -1.6921 -1.6500 -1.6151 -1.5963 -1.4299 -1.4073 -0.5437 -0.5176 0.2564 0.3014 0.3958 0.4160 1.3100 1.3253 1.6742 1.7217 2.0235 2.0321 2.3743 2.3800 2.6284 2.6345 3.2745 3.2780 3.5173 3.5274 3.7767 3.7775 4.0239 4.0239 4.0899 4.0939 8.9704 8.9835 10.0375 10.0500 10.1914 10.1952 10.5788 10.5953 11.0743 11.0744 k = 0.2726 0.4415-0.0000 ( 4984 PWs) bands (ev): -13.0661 -13.0654 -12.7089 -12.7089 -11.6652 -11.6617 -10.8694 -10.8621 -9.3870 -9.3792 -9.3612 -9.3511 -4.5240 -4.5217 -3.8555 -3.8492 -1.6974 -1.6441 -1.6248 -1.5861 -1.3517 -1.3294 -0.6519 -0.6264 0.2044 0.2499 0.4528 0.4729 1.3183 1.3340 1.7236 1.7714 1.9801 1.9884 2.3667 2.3722 2.6199 2.6257 3.2758 3.2786 3.5153 3.5260 3.7827 3.7840 4.0344 4.0345 4.0739 4.0780 9.0337 9.0477 9.9641 9.9758 10.2248 10.2281 10.6296 10.6455 11.0193 11.0208 k = 0.2817 0.4562-0.0000 ( 4976 PWs) bands (ev): -13.0478 -13.0471 -12.7102 -12.7101 -11.7109 -11.7077 -10.8384 -10.8307 -9.4008 -9.3759 -9.3755 -9.3468 -4.5296 -4.5273 -3.8265 -3.8204 -1.7203 -1.6502 -1.6147 -1.5547 -1.2743 -1.2521 -0.7599 -0.7353 0.1523 0.1989 0.5073 0.5267 1.3273 1.3433 1.7713 1.8194 1.9368 1.9447 2.3617 2.3670 2.6104 2.6159 3.2783 3.2804 3.5125 3.5236 3.7899 3.7916 4.0464 4.0464 4.0560 4.0601 9.0954 9.1101 9.8903 9.9014 10.2576 10.2606 10.6819 10.6969 10.9472 10.9524 k = 0.2908 0.4709-0.0000 ( 4970 PWs) bands (ev): -13.0300 -13.0292 -12.7114 -12.7114 -11.7551 -11.7521 -10.8061 -10.7980 -9.4153 -9.3912 -9.3729 -9.3438 -4.5359 -4.5336 -3.7980 -3.7921 -1.7427 -1.6725 -1.5794 -1.5200 -1.1984 -1.1763 -0.8676 -0.8438 0.1004 0.1482 0.5576 0.5761 1.3378 1.3539 1.8168 1.8649 1.8944 1.9022 2.3591 2.3642 2.6001 2.6052 3.2818 3.2832 3.5088 3.5204 3.7985 3.8006 4.0355 4.0400 4.0599 4.0601 9.1554 9.1708 9.8168 9.8273 10.2897 10.2925 10.7354 10.7487 10.8684 10.8773 k = 0.2999 0.4856-0.0000 ( 4966 PWs) bands (ev): -13.0125 -13.0118 -12.7126 -12.7125 -11.7976 -11.7949 -10.7726 -10.7641 -9.4300 -9.4068 -9.3716 -9.3421 -4.5427 -4.5404 -3.7699 -3.7644 -1.7622 -1.6915 -1.5402 -1.4820 -1.1247 -1.1023 -0.9742 -0.9517 0.0487 0.0978 0.6024 0.6199 1.3508 1.3667 1.8446 1.8571 1.8687 1.9116 2.3587 2.3636 2.5890 2.5937 3.2861 3.2868 3.5041 3.5162 3.8082 3.8107 4.0134 4.0181 4.0748 4.0749 9.2137 9.2297 9.7439 9.7538 10.3208 10.3235 10.7852 10.7871 10.7914 10.8162 k = 0.3090 0.5004-0.0000 ( 4958 PWs) bands (ev): -12.9956 -12.9948 -12.7137 -12.7136 -11.8385 -11.8360 -10.7378 -10.7289 -9.4450 -9.4226 -9.3717 -9.3419 -4.5501 -4.5478 -3.7424 -3.7371 -1.7783 -1.7070 -1.4976 -1.4408 -1.0864 -1.0586 -1.0463 -1.0305 -0.0026 0.0476 0.6403 0.6567 1.3672 1.3828 1.8075 1.8154 1.9066 1.9538 2.3605 2.3651 2.5774 2.5815 3.2912 3.2913 3.4986 3.5112 3.8193 3.8221 3.9896 3.9944 4.0910 4.0910 9.2703 9.2869 9.6720 9.6813 10.3507 10.3534 10.7102 10.7183 10.8452 10.8601 k = 0.3181 0.5151-0.0000 ( 4954 PWs) bands (ev): -12.9793 -12.9785 -12.7147 -12.7146 -11.8777 -11.8753 -10.7019 -10.6925 -9.4600 -9.4386 -9.3733 -9.3433 -4.5580 -4.5557 -3.7154 -3.7104 -1.7909 -1.7192 -1.4520 -1.3965 -1.1868 -1.1640 -0.9804 -0.9610 -0.0539 -0.0024 0.6701 0.6854 1.3880 1.4031 1.7673 1.7743 1.9469 1.9943 2.3643 2.3685 2.5654 2.5689 3.2965 3.2969 3.4923 3.5053 3.8316 3.8348 3.9642 3.9692 4.1081 4.1083 9.3251 9.3423 9.6014 9.6100 10.3790 10.3817 10.6347 10.6440 10.9009 10.9140 k = 0.3272 0.5298-0.0000 ( 4966 PWs) bands (ev): -12.9636 -12.9628 -12.7157 -12.7155 -11.9152 -11.9130 -10.6649 -10.6550 -9.4750 -9.4545 -9.3765 -9.3464 -4.5663 -4.5640 -3.6889 -3.6842 -1.8002 -1.7284 -1.4047 -1.3493 -1.2876 -1.2671 -0.9132 -0.8941 -0.1051 -0.0523 0.6910 0.7050 1.4137 1.4281 1.7279 1.7342 1.9855 2.0328 2.3699 2.3736 2.5533 2.5561 3.3022 3.3031 3.4850 3.4985 3.8453 3.8487 3.9374 3.9426 4.1261 4.1265 9.3782 9.3958 9.5324 9.5404 10.4053 10.4079 10.5630 10.5727 10.9568 10.9684 k = 0.3362 0.5445-0.0000 ( 4946 PWs) bands (ev): -12.9486 -12.9478 -12.7165 -12.7163 -11.9509 -11.9488 -10.6267 -10.6163 -9.4898 -9.4702 -9.3815 -9.3513 -4.5749 -4.5726 -3.6627 -3.6582 -1.8069 -1.7357 -1.3974 -1.3666 -1.3427 -1.2991 -0.8484 -0.8298 -0.1563 -0.1024 0.7025 0.7152 1.4445 1.4579 1.6900 1.6955 2.0221 2.0691 2.3772 2.3803 2.5412 2.5432 3.3085 3.3098 3.4770 3.4909 3.8603 3.8637 3.9095 3.9149 4.1447 4.1454 9.4294 9.4473 9.4654 9.4729 10.4277 10.4301 10.4973 10.5073 11.0125 11.0228 k = 0.3453 0.5592-0.0000 ( 4952 PWs) bands (ev): -12.9344 -12.9335 -12.7172 -12.7170 -11.9848 -11.9829 -10.5875 -10.5767 -9.5043 -9.4858 -9.3883 -9.3581 -4.5838 -4.5815 -3.6367 -3.6325 -1.8129 -1.7440 -1.4865 -1.4592 -1.2937 -1.2466 -0.7862 -0.7684 -0.2076 -0.1526 0.7046 0.7162 1.4797 1.4918 1.6541 1.6585 2.0565 2.1031 2.3859 2.3883 2.5296 2.5304 3.3151 3.3169 3.4681 3.4824 3.8760 3.8792 3.8812 3.8872 4.1637 4.1648 9.4000 9.4069 9.4792 9.4974 10.4189 10.4238 10.4649 10.4722 11.0676 11.0767 k = 0.3453 0.5592-0.0000 ( 4952 PWs) bands (ev): -12.9344 -12.9335 -12.7172 -12.7170 -11.9848 -11.9829 -10.5875 -10.5767 -9.5043 -9.4858 -9.3883 -9.3581 -4.5838 -4.5815 -3.6367 -3.6325 -1.8129 -1.7440 -1.4865 -1.4592 -1.2937 -1.2466 -0.7862 -0.7684 -0.2076 -0.1526 0.7046 0.7162 1.4797 1.4918 1.6541 1.6585 2.0565 2.1031 2.3859 2.3883 2.5296 2.5304 3.3151 3.3169 3.4681 3.4824 3.8760 3.8792 3.8812 3.8872 4.1637 4.1648 9.4000 9.4069 9.4792 9.4974 10.4189 10.4238 10.4649 10.4722 11.0676 11.0767 k = 0.3281 0.5592-0.0000 ( 4956 PWs) bands (ev): -12.9421 -12.9412 -12.7176 -12.7174 -11.9655 -11.9636 -10.6087 -10.5981 -9.4967 -9.4776 -9.3844 -9.3542 -4.5788 -4.5765 -3.6515 -3.6472 -1.8100 -1.7397 -1.4451 -1.4187 -1.3163 -1.2707 -0.8162 -0.7975 -0.1791 -0.1246 0.7044 0.7166 1.4591 1.4720 1.6723 1.6774 2.0385 2.0850 2.3824 2.3857 2.5364 2.5378 3.3119 3.3135 3.4723 3.4863 3.8647 3.8676 3.8997 3.9045 4.1533 4.1542 9.4241 9.4294 9.4646 9.4791 10.4230 10.4442 10.4665 10.4908 11.0395 11.0490 k = 0.3108 0.5592-0.0000 ( 4959 PWs) bands (ev): -12.9505 -12.9496 -12.7196 -12.7194 -11.9425 -11.9405 -10.6306 -10.6203 -9.4889 -9.4693 -9.3807 -9.3505 -4.5733 -4.5710 -3.6686 -3.6642 -1.8080 -1.7373 -1.4225 -1.3988 -1.3174 -1.2817 -0.8404 -0.8204 -0.1477 -0.0938 0.7017 0.7145 1.4362 1.4497 1.6900 1.6954 2.0204 2.0662 2.3818 2.3864 2.5449 2.5466 3.3096 3.3109 3.4745 3.4882 3.8531 3.8564 3.9179 3.9225 4.1425 4.1432 9.4101 9.4199 9.4854 9.4910 10.4134 10.4353 10.4996 10.5254 11.0131 11.0228 k = 0.2935 0.5592-0.0000 ( 4953 PWs) bands (ev): -12.9593 -12.9585 -12.7228 -12.7226 -11.9163 -11.9142 -10.6533 -10.6432 -9.4809 -9.4609 -9.3772 -9.3472 -4.5671 -4.5648 -3.6879 -3.6834 -1.8070 -1.7366 -1.4267 -1.4018 -1.2964 -1.2753 -0.8559 -0.8345 -0.1141 -0.0608 0.6966 0.7101 1.4112 1.4251 1.7056 1.7104 2.0041 2.0483 2.3840 2.3898 2.5549 2.5568 3.3078 3.3089 3.4744 3.4876 3.8431 3.8468 3.9344 3.9389 4.1321 4.1327 9.3852 9.3970 9.5127 9.5169 10.4022 10.4230 10.5378 10.5637 10.9890 10.9987 k = 0.2763 0.5592-0.0000 ( 4957 PWs) bands (ev): -12.9684 -12.9676 -12.7272 -12.7270 -11.8872 -11.8850 -10.6767 -10.6670 -9.4728 -9.4525 -9.3740 -9.3441 -4.5602 -4.5580 -3.7092 -3.7047 -1.8070 -1.7378 -1.4442 -1.4164 -1.2733 -1.2598 -0.8601 -0.8376 -0.0787 -0.0260 0.6898 0.7040 1.3841 1.3984 1.7173 1.7201 1.9921 2.0332 2.3885 2.3956 2.5661 2.5681 3.3065 3.3074 3.4716 3.4842 3.8350 3.8391 3.9480 3.9524 4.1232 4.1239 9.3606 9.3728 9.5381 9.5420 10.3916 10.4115 10.5767 10.6028 10.9677 10.9774 k = 0.2590 0.5592-0.0000 ( 4957 PWs) bands (ev): -12.9777 -12.9769 -12.7323 -12.7322 -11.8558 -11.8534 -10.7010 -10.6915 -9.4648 -9.4441 -9.3710 -9.3414 -4.5526 -4.5504 -3.7323 -3.7278 -1.8081 -1.7410 -1.4644 -1.4360 -1.2570 -1.2457 -0.8516 -0.8289 -0.0419 0.0102 0.6814 0.6964 1.3552 1.3698 1.7218 1.7230 1.9869 2.0233 2.3950 2.4031 2.5785 2.5805 3.3055 3.3062 3.4660 3.4778 3.8290 3.8335 3.9573 3.9614 4.1175 4.1182 9.3379 9.3499 9.5605 9.5641 10.3824 10.4015 10.6151 10.6414 10.9498 10.9595 k = 0.2417 0.5592-0.0000 ( 4955 PWs) bands (ev): -12.9868 -12.9861 -12.7381 -12.7379 -11.8223 -11.8198 -10.7261 -10.7169 -9.4567 -9.4357 -9.3683 -9.3389 -4.5442 -4.5421 -3.7570 -3.7526 -1.8104 -1.7462 -1.4843 -1.4572 -1.2484 -1.2364 -0.8314 -0.8092 -0.0039 0.0476 0.6720 0.6879 1.3248 1.3395 1.7144 1.7202 1.9902 2.0206 2.4029 2.4119 2.5919 2.5938 3.3042 3.3050 3.4578 3.4688 3.8252 3.8299 3.9610 3.9647 4.1164 4.1172 9.3173 9.3290 9.5793 9.5826 10.3750 10.3932 10.6520 10.6785 10.9360 10.9456 k = 0.2245 0.5592-0.0000 ( 4955 PWs) bands (ev): -12.9959 -12.9952 -12.7442 -12.7440 -11.7872 -11.7846 -10.7520 -10.7431 -9.4487 -9.4275 -9.3658 -9.3367 -4.5350 -4.5329 -3.7829 -3.7787 -1.8139 -1.7535 -1.5036 -1.4788 -1.2451 -1.2313 -0.8020 -0.7810 0.0349 0.0859 0.6619 0.6788 1.2930 1.3079 1.6978 1.7088 2.0018 2.0258 2.4119 2.4216 2.6062 2.6080 3.3022 3.3034 3.4476 3.4576 3.8232 3.8280 3.9585 3.9617 4.1204 4.1214 9.2991 9.3103 9.5947 9.5976 10.3695 10.3869 10.6864 10.7126 10.9274 10.9366 k = 0.2072 0.5592-0.0000 ( 4958 PWs) bands (ev): -13.0046 -13.0040 -12.7505 -12.7503 -11.7509 -11.7481 -10.7786 -10.7700 -9.4409 -9.4194 -9.3635 -9.3348 -4.5249 -4.5230 -3.8100 -3.8058 -1.8185 -1.7624 -1.5224 -1.5004 -1.2440 -1.2285 -0.7668 -0.7472 0.0745 0.1248 0.6515 0.6694 1.2602 1.2753 1.6739 1.6894 2.0199 2.0383 2.4215 2.4317 2.6213 2.6230 3.2990 3.3008 3.4363 3.4452 3.8225 3.8271 3.9509 3.9535 4.1288 4.1301 9.2833 9.2939 9.6065 9.6091 10.3661 10.3825 10.7166 10.7419 10.9252 10.9335 k = 0.1899 0.5592-0.0000 ( 4958 PWs) bands (ev): -13.0130 -13.0124 -12.7568 -12.7566 -11.7137 -11.7108 -10.8060 -10.7977 -9.4332 -9.4117 -9.3615 -9.3332 -4.5140 -4.5122 -3.8378 -3.8338 -1.8239 -1.7726 -1.5410 -1.5219 -1.2429 -1.2262 -0.7286 -0.7106 0.1144 0.1640 0.6412 0.6603 1.2270 1.2421 1.6450 1.6637 2.0424 2.0562 2.4312 2.4417 2.6371 2.6387 3.2936 3.2963 3.4252 3.4328 3.8223 3.8265 3.9402 3.9422 4.1402 4.1417 9.2698 9.2799 9.6151 9.6175 10.3646 10.3800 10.7415 10.7645 10.9310 10.9372 k = 0.1727 0.5592-0.0000 ( 4954 PWs) bands (ev): -13.0210 -13.0204 -12.7629 -12.7627 -11.6759 -11.6729 -10.8340 -10.8260 -9.4258 -9.4043 -9.3596 -9.3320 -4.5023 -4.5006 -3.8660 -3.8623 -1.8298 -1.7835 -1.5594 -1.5430 -1.2404 -1.2233 -0.6895 -0.6731 0.1545 0.2033 0.6311 0.6515 1.1936 1.2089 1.6129 1.6337 2.0675 2.0777 2.4408 2.4514 2.6534 2.6551 3.2853 3.2890 3.4158 3.4219 3.8216 3.8251 3.9284 3.9298 4.1532 4.1547 9.2587 9.2681 9.6208 9.6229 10.3650 10.3793 10.7602 10.7799 10.9446 10.9482 k = 0.1554 0.5592-0.0000 ( 4960 PWs) bands (ev): -13.0284 -13.0279 -12.7687 -12.7685 -11.6380 -11.6348 -10.8624 -10.8548 -9.4188 -9.3973 -9.3580 -9.3310 -4.4899 -4.4882 -3.8943 -3.8909 -1.8359 -1.7947 -1.5775 -1.5635 -1.2361 -1.2193 -0.6511 -0.6364 0.1944 0.2423 0.6214 0.6433 1.1606 1.1760 1.5790 1.6011 2.0938 2.1012 2.4499 2.4604 2.6700 2.6719 3.2735 3.2782 3.4090 3.4137 3.8191 3.8217 3.9174 3.9185 4.1667 4.1682 9.2496 9.2583 9.6240 9.6259 10.3670 10.3802 10.7730 10.7891 10.9636 10.9662 k = 0.1381 0.5592-0.0000 ( 4963 PWs) bands (ev): -13.0352 -13.0347 -12.7741 -12.7740 -11.6002 -11.5970 -10.8912 -10.8840 -9.4120 -9.3909 -9.3565 -9.3304 -4.4768 -4.4753 -3.9223 -3.9192 -1.8420 -1.8057 -1.5950 -1.5831 -1.2302 -1.2142 -0.6146 -0.6016 0.2339 0.2809 0.6123 0.6357 1.1287 1.1441 1.5447 1.5671 2.1202 2.1254 2.4584 2.4686 2.6868 2.6889 3.2584 3.2639 3.4052 3.4087 3.8139 3.8154 3.9087 3.9100 4.1799 4.1814 9.2425 9.2504 9.6251 9.6268 10.3703 10.3822 10.7815 10.7944 10.9850 10.9892 k = 0.1209 0.5592-0.0000 ( 4961 PWs) bands (ev): -13.0414 -13.0409 -12.7791 -12.7790 -11.5630 -11.5598 -10.9200 -10.9132 -9.4057 -9.3851 -9.3550 -9.3302 -4.4634 -4.4620 -3.9496 -3.9468 -1.8477 -1.8162 -1.6115 -1.6014 -1.2230 -1.2083 -0.5807 -0.5695 0.2727 0.3185 0.6036 0.6287 1.0984 1.1137 1.5110 1.5330 2.1458 2.1494 2.4661 2.4758 2.7034 2.7059 3.2409 3.2468 3.4041 3.4067 3.8054 3.8059 3.9031 3.9049 4.1924 4.1937 9.2372 9.2442 9.6247 9.6262 10.3745 10.3851 10.7873 10.7976 11.0077 11.0134 k = 0.1036 0.5592-0.0000 ( 4963 PWs) bands (ev): -13.0468 -13.0464 -12.7835 -12.7834 -11.5270 -11.5237 -10.9485 -10.9422 -9.3997 -9.3803 -9.3535 -9.3303 -4.4497 -4.4485 -3.9757 -3.9731 -1.8527 -1.8259 -1.6265 -1.6181 -1.2151 -1.2020 -0.5503 -0.5407 0.3104 0.3550 0.5949 0.6218 1.0705 1.0855 1.4788 1.4998 2.1699 2.1721 2.4729 2.4819 2.7197 2.7224 3.2220 3.2280 3.4051 3.4071 3.7942 3.7945 3.9005 3.9026 4.2037 4.2049 9.2332 9.2394 9.6232 9.6245 10.3793 10.3885 10.7915 10.7998 11.0300 11.0365 k = 0.0863 0.5592-0.0000 ( 4967 PWs) bands (ev): -13.0515 -13.0512 -12.7873 -12.7872 -11.4926 -11.4894 -10.9762 -10.9704 -9.3943 -9.3765 -9.3518 -9.3309 -4.4364 -4.4353 -3.9999 -3.9977 -1.8569 -1.8348 -1.6398 -1.6329 -1.2072 -1.1960 -0.5237 -0.5159 0.3467 0.3898 0.5859 0.6145 1.0458 1.0601 1.4493 1.4685 2.1917 2.1930 2.4787 2.4868 2.7351 2.7379 3.2031 3.2089 3.4075 3.4089 3.7816 3.7822 3.9000 3.9021 4.2137 4.2147 9.2306 9.2358 9.6210 9.6221 10.3842 10.3920 10.7949 10.8015 11.0506 11.0571 k = 0.0691 0.5592-0.0000 ( 4977 PWs) bands (ev): -13.0554 -13.0551 -12.7905 -12.7904 -11.4608 -11.4578 -11.0021 -10.9971 -9.3894 -9.3739 -9.3497 -9.3318 -4.4237 -4.4228 -4.0216 -4.0198 -1.8601 -1.8425 -1.6509 -1.6454 -1.1996 -1.1905 -0.5014 -0.4952 0.3812 0.4225 0.5761 0.6061 1.0252 1.0381 1.4235 1.4402 2.2106 2.2113 2.4837 2.4905 2.7492 2.7520 3.1855 3.1908 3.4105 3.4116 3.7694 3.7702 3.9007 3.9026 4.2221 4.2229 9.2289 9.2331 9.6187 9.6196 10.3890 10.3953 10.7977 10.8029 11.0684 11.0745 k = 0.0518 0.5592-0.0000 ( 4985 PWs) bands (ev): -13.0584 -13.0582 -12.7930 -12.7929 -11.4329 -11.4302 -11.0252 -11.0210 -9.3850 -9.3727 -9.3472 -9.3331 -4.4126 -4.4118 -4.0398 -4.0384 -1.8622 -1.8491 -1.6597 -1.6556 -1.1930 -1.1861 -0.4837 -0.4791 0.4134 0.4523 0.5653 0.5960 1.0092 1.0201 1.4025 1.4159 2.2259 2.2263 2.4877 2.4930 2.7614 2.7639 3.1703 3.1747 3.4136 3.4144 3.7588 3.7596 3.9019 3.9034 4.2288 4.2294 9.2280 9.2312 9.6165 9.6172 10.3933 10.3981 10.8001 10.8039 11.0828 11.0879 k = 0.0345 0.5592-0.0000 ( 4989 PWs) bands (ev): -13.0606 -13.0604 -12.7948 -12.7947 -11.4103 -11.4083 -11.0438 -11.0408 -9.3811 -9.3726 -9.3445 -9.3347 -4.4036 -4.4031 -4.0538 -4.0529 -1.8632 -1.8544 -1.6659 -1.6631 -1.1877 -1.1830 -0.4707 -0.4677 0.4428 0.4774 0.5542 0.5835 0.9984 1.0063 1.3874 1.3968 2.2373 2.2375 2.4908 2.4945 2.7711 2.7730 3.1587 3.1619 3.4163 3.4169 3.7506 3.7512 3.9031 3.9041 4.2336 4.2341 9.2276 9.2298 9.6147 9.6152 10.3968 10.4001 10.8021 10.8046 11.0935 11.0971 k = 0.0173 0.5592-0.0000 ( 4992 PWs) bands (ev): -13.0619 -13.0618 -12.7959 -12.7958 -11.3952 -11.3941 -11.0559 -11.0542 -9.3779 -9.3736 -9.3418 -9.3368 -4.3978 -4.3975 -4.0626 -4.0621 -1.8629 -1.8585 -1.6694 -1.6680 -1.1839 -1.1815 -0.4626 -0.4611 0.4683 0.4919 0.5479 0.5690 0.9929 0.9971 1.3790 1.3839 2.2443 2.2444 2.4931 2.4950 2.7775 2.7785 3.1517 3.1533 3.4182 3.4185 3.7455 3.7458 3.9040 3.9045 4.2366 4.2368 9.2277 9.2288 9.6136 9.6139 10.3993 10.4010 10.8035 10.8048 11.1003 11.1022 k = 0.0000 0.5592-0.0000 ( 4996 PWs) bands (ev): -13.0623 -13.0623 -12.7962 -12.7962 -11.3895 -11.3895 -11.0596 -11.0596 -9.3754 -9.3754 -9.3391 -9.3391 -4.3957 -4.3957 -4.0654 -4.0654 -1.8613 -1.8613 -1.6701 -1.6701 -1.1818 -1.1818 -0.4594 -0.4594 0.4872 0.4872 0.5546 0.5546 0.9925 0.9925 1.3778 1.3778 2.2467 2.2467 2.4945 2.4945 2.7800 2.7800 3.1498 3.1498 3.4189 3.4189 3.7439 3.7439 3.9045 3.9045 4.2377 4.2377 9.2281 9.2281 9.6133 9.6133 10.4008 10.4008 10.8044 10.8044 11.1032 11.1032 k = 0.0000 0.5592-0.0000 ( 4996 PWs) bands (ev): -13.0623 -13.0623 -12.7962 -12.7962 -11.3895 -11.3895 -11.0596 -11.0596 -9.3754 -9.3754 -9.3391 -9.3391 -4.3957 -4.3957 -4.0654 -4.0654 -1.8613 -1.8613 -1.6701 -1.6701 -1.1818 -1.1818 -0.4594 -0.4594 0.4872 0.4872 0.5546 0.5546 0.9925 0.9925 1.3778 1.3778 2.2467 2.2467 2.4945 2.4945 2.7800 2.7800 3.1498 3.1498 3.4189 3.4189 3.7439 3.7439 3.9045 3.9045 4.2377 4.2377 9.2281 9.2281 9.6133 9.6133 10.4008 10.4008 10.8044 10.8044 11.1032 11.1032 k = 0.0000 0.5592 0.0173 ( 4990 PWs) bands (ev): -13.0619 -13.0619 -12.7962 -12.7962 -11.3887 -11.3887 -11.0591 -11.0590 -9.3775 -9.3771 -9.3413 -9.3412 -4.3942 -4.3940 -4.0637 -4.0629 -1.8585 -1.8585 -1.6718 -1.6711 -1.1813 -1.1806 -0.4667 -0.4636 0.4888 0.4917 0.5546 0.5552 0.9924 0.9931 1.3788 1.3797 2.2469 2.2477 2.4897 2.4901 2.7823 2.7831 3.1498 3.1503 3.4180 3.4181 3.7445 3.7451 3.9047 3.9049 4.2374 4.2375 9.2253 9.2271 9.6114 9.6116 10.3787 10.3855 10.8219 10.8270 11.0863 11.0933 k = 0.0000 0.5592 0.0346 ( 4990 PWs) bands (ev): -13.0609 -13.0609 -12.7961 -12.7961 -11.3863 -11.3863 -11.0575 -11.0573 -9.3836 -9.3827 -9.3476 -9.3473 -4.3896 -4.3893 -4.0579 -4.0562 -1.8500 -1.8498 -1.6763 -1.6749 -1.1790 -1.1775 -0.4851 -0.4790 0.4967 0.5016 0.5556 0.5561 0.9928 0.9941 1.3827 1.3845 2.2483 2.2499 2.4764 2.4771 2.7894 2.7911 3.1502 3.1511 3.4153 3.4156 3.7468 3.7480 3.9056 3.9060 4.2367 4.2369 9.2188 9.2223 9.6059 9.6063 10.3291 10.3406 10.8716 10.8796 11.0552 11.0646 k = 0.0000 0.5592 0.0519 ( 4990 PWs) bands (ev): -13.0592 -13.0591 -12.7959 -12.7959 -11.3823 -11.3823 -11.0549 -11.0546 -9.3934 -9.3920 -9.3581 -9.3576 -4.3820 -4.3816 -4.0479 -4.0454 -1.8359 -1.8356 -1.6841 -1.6819 -1.1743 -1.1721 -0.5135 -0.5049 0.5098 0.5146 0.5575 0.5590 0.9936 0.9956 1.3893 1.3919 2.2507 2.2532 2.4557 2.4568 2.8004 2.8028 3.1509 3.1522 3.4109 3.4114 3.7507 3.7524 3.9073 3.9078 4.2355 4.2359 9.2089 9.2140 9.5967 9.5970 10.2662 10.2810 10.9385 10.9470 11.0210 11.0303 k = 0.0000 0.5592 0.0691 ( 4992 PWs) bands (ev): -13.0568 -13.0567 -12.7957 -12.7957 -11.3767 -11.3767 -11.0512 -11.0507 -9.4070 -9.4052 -9.3725 -9.3719 -4.3713 -4.3708 -4.0340 -4.0306 -1.8164 -1.8159 -1.6955 -1.6924 -1.1666 -1.1638 -0.5507 -0.5400 0.5268 0.5268 0.5598 0.5676 0.9949 0.9976 1.3983 1.4016 2.2541 2.2574 2.4291 2.4306 2.8139 2.8169 3.1521 3.1538 3.4048 3.4054 3.7558 3.7579 3.9099 3.9106 4.2338 4.2343 9.1960 9.2027 9.5838 9.5838 10.1991 10.2165 10.9787 10.9892 11.0191 11.0292 k = 0.0000 0.5592 0.0864 ( 4988 PWs) bands (ev): -13.0537 -13.0536 -12.7955 -12.7955 -11.3695 -11.3694 -11.0464 -11.0458 -9.4242 -9.4219 -9.3909 -9.3900 -4.3577 -4.3571 -4.0161 -4.0120 -1.7919 -1.7909 -1.7110 -1.7070 -1.1551 -1.1517 -0.5951 -0.5828 0.5346 0.5439 0.5656 0.5838 0.9968 1.0000 1.4093 1.4132 2.2581 2.2622 2.3979 2.3997 2.8289 2.8324 3.1538 3.1558 3.3972 3.3979 3.7614 3.7638 3.9137 3.9144 4.2317 4.2323 9.1807 9.1889 9.5664 9.5669 10.1328 10.1526 10.9462 10.9571 11.0936 11.1043 k = 0.0000 0.5592 0.1037 ( 4974 PWs) bands (ev): -13.0500 -13.0499 -12.7952 -12.7952 -11.3606 -11.3606 -11.0404 -11.0398 -9.4448 -9.4421 -9.4129 -9.4119 -4.3413 -4.3406 -3.9945 -3.9895 -1.7642 -1.7614 -1.7306 -1.7244 -1.1391 -1.1352 -0.6453 -0.6319 0.5388 0.5540 0.5807 0.6056 0.9992 1.0029 1.4217 1.4261 2.2625 2.2673 2.3632 2.3653 2.8446 2.8486 3.1560 3.1583 3.3880 3.3889 3.7672 3.7697 3.9189 3.9196 4.2291 4.2298 9.1638 9.1734 9.5448 9.5461 10.0702 10.0925 10.9128 10.9234 11.1701 11.1806 k = 0.0000 0.5592 0.1210 ( 4970 PWs) bands (ev): -13.0456 -13.0455 -12.7949 -12.7949 -11.3501 -11.3501 -11.0334 -11.0327 -9.4688 -9.4656 -9.4385 -9.4373 -4.3221 -4.3213 -3.9693 -3.9636 -1.7586 -1.7580 -1.7237 -1.7206 -1.1180 -1.1137 -0.6998 -0.6858 0.5416 0.5585 0.6028 0.6299 1.0022 1.0063 1.4350 1.4398 2.2667 2.2720 2.3262 2.3281 2.8607 2.8649 3.1588 3.1613 3.3774 3.3785 3.7723 3.7749 3.9257 3.9263 4.2259 4.2268 9.1460 9.1568 9.5190 9.5213 10.0131 10.0379 10.8806 10.8908 11.2438 11.2539 k = 0.0000 0.5592 0.1383 ( 4964 PWs) bands (ev): -13.0407 -13.0406 -12.7947 -12.7947 -11.3380 -11.3380 -11.0253 -11.0245 -9.4959 -9.4923 -9.4673 -9.4660 -4.3003 -4.2994 -3.9407 -3.9343 -1.7883 -1.7849 -1.6852 -1.6846 -1.0915 -1.0869 -0.7574 -0.7432 0.5443 0.5621 0.6264 0.6546 1.0059 1.0102 1.4486 1.4538 2.2695 2.2717 2.2899 2.2915 2.8766 2.8811 3.1622 3.1649 3.3655 3.3668 3.7764 3.7788 3.9343 3.9347 4.2223 4.2233 9.1282 9.1401 9.4894 9.4929 9.9626 9.9899 10.8496 10.8596 11.3129 11.3225 k = 0.0000 0.5592 0.1556 ( 4964 PWs) bands (ev): -13.0351 -13.0350 -12.7945 -12.7945 -11.3243 -11.3242 -11.0161 -11.0151 -9.5260 -9.5219 -9.4993 -9.4977 -4.2759 -4.2750 -3.9090 -3.9019 -1.8234 -1.8192 -1.6428 -1.6425 -1.0594 -1.0547 -0.8165 -0.8025 0.5473 0.5657 0.6496 0.6786 1.0102 1.0147 1.4618 1.4673 2.2407 2.2454 2.2760 2.2852 2.8922 2.8970 3.1664 3.1690 3.3525 3.3540 3.7789 3.7810 3.9447 3.9449 4.2181 4.2193 9.1111 9.1240 9.4570 9.4617 9.9192 9.9490 10.8199 10.8296 11.3758 11.3851 k = 0.0000 0.5592 0.1729 ( 4964 PWs) bands (ev): -13.0291 -13.0290 -12.7944 -12.7944 -11.3089 -11.3088 -11.0057 -11.0047 -9.5588 -9.5543 -9.5339 -9.5321 -4.2491 -4.2482 -3.8743 -3.8666 -1.8632 -1.8584 -1.5985 -1.5973 -1.0220 -1.0174 -0.8751 -0.8620 0.5509 0.5699 0.6717 0.7011 1.0152 1.0197 1.4739 1.4797 2.1991 2.2036 2.2772 2.2870 2.9074 2.9123 3.1712 3.1738 3.3387 3.3403 3.7796 3.7814 3.9566 3.9566 4.2134 4.2148 9.0956 9.1095 9.4230 9.4287 9.8827 9.9147 10.7913 10.8007 11.4316 11.4406 k = 0.0000 0.5592 0.1902 ( 4962 PWs) bands (ev): -13.0225 -13.0224 -12.7943 -12.7943 -11.2919 -11.2918 -10.9942 -10.9930 -9.5942 -9.5893 -9.5710 -9.5690 -4.2201 -4.2191 -3.8370 -3.8287 -1.9070 -1.9019 -1.5538 -1.5516 -0.9798 -0.9784 -0.9276 -0.9189 0.5552 0.5746 0.6921 0.7216 1.0210 1.0253 1.4843 1.4903 2.1562 2.1607 2.2771 2.2877 2.9219 2.9269 3.1767 3.1791 3.3243 3.3260 3.7785 3.7798 3.9695 3.9698 4.2083 4.2098 9.0824 9.0972 9.3889 9.3954 9.8528 9.8867 10.7637 10.7727 11.4797 11.4885 k = 0.0000 0.5592 0.2074 ( 4964 PWs) bands (ev): -13.0155 -13.0153 -12.7944 -12.7944 -11.2733 -11.2732 -10.9815 -10.9803 -9.6320 -9.6269 -9.6101 -9.6080 -4.1888 -4.1878 -3.7973 -3.7884 -1.9543 -1.9491 -1.5124 -1.5084 -0.9893 -0.9745 -0.9284 -0.9191 0.5601 0.5799 0.7104 0.7398 1.0275 1.0314 1.4922 1.4985 2.1132 2.1176 2.2746 2.2861 2.9357 2.9408 3.1827 3.1848 3.3098 3.3116 3.7754 3.7763 3.9834 3.9838 4.2027 4.2044 9.0722 9.0880 9.3563 9.3633 9.8286 9.8642 10.7368 10.7454 11.5199 11.5288 k = 0.0000 0.5592 0.2247 ( 4966 PWs) bands (ev): -13.0080 -13.0079 -12.7947 -12.7947 -11.2530 -11.2529 -10.9677 -10.9663 -9.6721 -9.6670 -9.6508 -9.6488 -4.1555 -4.1546 -3.7554 -3.7460 -2.0047 -1.9993 -1.4800 -1.4736 -1.0255 -1.0144 -0.8767 -0.8682 0.5657 0.5859 0.7265 0.7554 1.0346 1.0380 1.4968 1.5035 2.0708 2.0751 2.2693 2.2817 2.9487 2.9538 3.1887 3.1903 3.2961 3.2979 3.7706 3.7711 3.9977 3.9984 4.1967 4.1986 9.0656 9.0823 9.3264 9.3339 9.8094 9.8465 10.7103 10.7185 11.5524 11.5616 k = 0.0000 0.5592 0.2420 ( 4964 PWs) bands (ev): -13.0002 -13.0000 -12.7951 -12.7951 -11.2311 -11.2310 -10.9526 -10.9512 -9.7144 -9.7094 -9.6926 -9.6909 -4.1203 -4.1193 -3.7117 -3.7018 -2.0574 -2.0520 -1.4653 -1.4555 -1.0430 -1.0356 -0.8196 -0.8111 0.5720 0.5924 0.7401 0.7683 1.0422 1.0449 1.4972 1.5044 2.0299 2.0338 2.2607 2.2740 2.9607 2.9658 3.1939 3.1946 3.2844 3.2859 3.7641 3.7642 4.0123 4.0130 4.1905 4.1925 9.0632 9.0809 9.3007 9.3084 9.7946 9.8329 10.6841 10.6918 11.5776 11.5875 k = 0.0000 0.5592 0.2593 ( 4960 PWs) bands (ev): -12.9920 -12.9918 -12.7958 -12.7958 -11.2077 -11.2075 -10.9365 -10.9349 -9.7585 -9.7540 -9.7353 -9.7341 -4.0832 -4.0823 -3.6664 -3.6560 -2.1120 -2.1067 -1.4750 -1.4618 -1.0333 -1.0296 -0.7582 -0.7495 0.5789 0.5994 0.7513 0.7787 1.0502 1.0521 1.4926 1.5004 1.9913 1.9947 2.2484 2.2626 2.9717 2.9768 3.1958 3.1962 3.2770 3.2779 3.7557 3.7559 4.0266 4.0274 4.1841 4.1862 9.0653 9.0840 9.2800 9.2879 9.7836 9.8230 10.6580 10.6650 11.5961 11.6071 k = 0.0000 0.5592 0.2766 ( 4962 PWs) bands (ev): -12.9835 -12.9833 -12.7967 -12.7967 -11.1826 -11.1824 -10.9191 -10.9175 -9.8044 -9.8004 -9.7787 -9.7781 -4.0443 -4.0435 -3.6197 -3.6090 -2.1680 -2.1628 -1.5081 -1.4926 -0.9975 -0.9961 -0.6932 -0.6841 0.5862 0.6069 0.7600 0.7865 1.0581 1.0593 1.4820 1.4905 1.9559 1.9587 2.2322 2.2473 2.9815 2.9867 3.1918 3.1935 3.2759 3.2760 3.7458 3.7463 4.0406 4.0413 4.1776 4.1799 9.0723 9.0921 9.2652 9.2732 9.7760 9.8164 10.6314 10.6378 11.6082 11.6205 k = 0.0000 0.5592 0.2939 ( 4958 PWs) bands (ev): -12.9748 -12.9746 -12.7979 -12.7978 -11.1559 -11.1557 -10.9006 -10.8989 -9.8517 -9.8483 -9.8227 -9.8226 -4.0038 -4.0031 -3.5722 -3.5612 -2.2246 -2.2197 -1.5577 -1.5410 -0.9425 -0.9423 -0.6249 -0.6154 0.5939 0.6146 0.7664 0.7918 1.0658 1.0663 1.4646 1.4740 1.9245 1.9266 2.2122 2.2279 2.9902 2.9954 3.1826 3.1855 3.2810 3.2815 3.7346 3.7354 4.0539 4.0545 4.1712 4.1736 9.0843 9.1052 9.2568 9.2647 9.7715 9.8127 10.6043 10.6100 11.6140 11.6279 k = 0.0000 0.5592 0.3112 ( 4962 PWs) bands (ev): -12.9659 -12.9657 -12.7994 -12.7993 -11.1277 -11.1275 -10.8810 -10.8792 -9.9002 -9.8972 -9.8676 -9.8670 -3.9618 -3.9612 -3.5241 -3.5129 -2.2813 -2.2767 -1.6171 -1.5999 -0.8754 -0.8749 -0.5539 -0.5439 0.6017 0.6225 0.7706 0.7949 1.0727 1.0729 1.4402 1.4505 1.8976 1.8989 2.1882 2.2046 2.9977 3.0029 3.1699 3.1736 3.2912 3.2919 3.7222 3.7232 4.0663 4.0669 4.1650 4.1674 9.1013 9.1235 9.2552 9.2629 9.7698 9.8118 10.5763 10.5811 11.6128 11.6258 k = 0.0000 0.5592 0.3284 ( 4954 PWs) bands (ev): -12.9568 -12.9566 -12.8012 -12.8011 -11.0980 -11.0977 -10.8603 -10.8584 -9.9494 -9.9468 -9.9127 -9.9117 -3.9183 -3.9178 -3.4761 -3.4646 -2.3374 -2.3332 -1.6822 -1.6649 -0.8000 -0.7994 -0.4806 -0.4702 0.6096 0.6302 0.7727 0.7958 1.0783 1.0789 1.4089 1.4201 1.8754 1.8759 2.1608 2.1777 3.0040 3.0092 3.1556 3.1597 3.3048 3.3054 3.7088 3.7100 4.0778 4.0783 4.1590 4.1616 9.1233 9.1468 9.2604 9.2678 9.7707 9.8133 10.5469 10.5509 11.5647 11.5836 k = 0.0000 0.5592 0.3457 ( 4952 PWs) bands (ev): -12.9477 -12.9475 -12.8034 -12.8033 -11.0668 -11.0665 -10.8385 -10.8366 -9.9991 -9.9968 -9.9578 -9.9565 -3.8735 -3.8731 -3.4286 -3.4171 -2.3921 -2.3885 -1.7504 -1.7332 -0.7191 -0.7185 -0.4057 -0.3948 0.6173 0.6377 0.7727 0.7947 1.0826 1.0836 1.3713 1.3833 1.8573 1.8575 2.1302 2.1474 3.0091 3.0144 3.1406 3.1452 3.3205 3.3210 3.6945 3.6959 4.0882 4.0886 4.1536 4.1561 9.1499 9.1749 9.2724 9.2793 9.7740 9.8171 10.5158 10.5190 11.5016 11.5219 k = 0.0000 0.5592 0.3630 ( 4960 PWs) bands (ev): -12.9385 -12.9383 -12.8059 -12.8058 -11.0342 -11.0339 -10.8159 -10.8138 -10.0489 -10.0469 -10.0027 -10.0011 -3.8274 -3.8271 -3.3825 -3.3712 -2.4444 -2.4414 -1.8204 -1.8032 -0.6346 -0.6341 -0.3300 -0.3185 0.6245 0.6444 0.7708 0.7916 1.0854 1.0864 1.3285 1.3413 1.8425 1.8433 2.0971 2.1145 3.0131 3.0185 3.1258 3.1307 3.3375 3.3379 3.6796 3.6810 4.0975 4.0977 4.1486 4.1512 9.1807 9.2074 9.2909 9.2971 9.7796 9.8229 10.4827 10.4851 11.4379 11.4589 k = 0.0000 0.5592 0.3803 ( 4964 PWs) bands (ev): -12.9294 -12.9291 -12.8089 -12.8088 -11.0003 -11.0000 -10.7925 -10.7903 -10.0984 -10.0966 -10.0473 -10.0455 -3.7802 -3.7800 -3.3391 -3.3281 -2.4929 -2.4907 -1.8911 -1.8742 -0.5477 -0.5475 -0.2541 -0.2421 0.6309 0.6501 0.7671 0.7865 1.0861 1.0869 1.2821 1.2955 1.8308 1.8323 2.0623 2.0797 3.0162 3.0216 3.1114 3.1166 3.3554 3.3556 3.6640 3.6656 4.1056 4.1056 4.1443 4.1469 9.2153 9.2437 9.3155 9.3206 9.7873 9.8305 10.4472 10.4487 11.3746 11.3966 k = 0.0000 0.5592 0.3976 ( 4958 PWs) bands (ev): -12.9202 -12.9200 -12.8123 -12.8121 -10.9653 -10.9648 -10.7685 -10.7663 -10.1473 -10.1457 -10.0912 -10.0893 -3.7320 -3.7319 -3.2998 -3.2893 -2.5358 -2.5348 -1.9619 -1.9452 -0.4597 -0.4596 -0.1791 -0.1666 0.6360 0.6540 0.7615 0.7794 1.0844 1.0848 1.2337 1.2475 1.8217 1.8238 2.0268 2.0440 3.0184 3.0239 3.0979 3.1032 3.3738 3.3738 3.6481 3.6497 4.1123 4.1125 4.1407 4.1432 9.2530 9.2832 9.3454 9.3490 9.7972 9.8399 10.4089 10.4097 11.3133 11.3366 k = 0.0000 0.5592 0.4149 ( 4954 PWs) bands (ev): -12.9112 -12.9110 -12.8160 -12.8159 -10.9291 -10.9286 -10.7444 -10.7421 -10.1949 -10.1934 -10.1343 -10.1322 -3.6830 -3.6829 -3.2667 -3.2572 -2.5713 -2.5709 -2.0324 -2.0160 -0.3716 -0.3713 -0.1062 -0.0932 0.6394 0.6557 0.7540 0.7702 1.0798 1.0799 1.1854 1.1994 1.8148 1.8174 1.9915 2.0083 3.0199 3.0255 3.0853 3.0908 3.3923 3.3924 3.6320 3.6336 4.1179 4.1182 4.1377 4.1403 9.2928 9.3248 9.3795 9.3809 9.8092 9.8510 10.3676 10.3678 11.2551 11.2802 k = 0.0000 0.5592 0.4322 ( 4952 PWs) bands (ev): -12.9024 -12.9022 -12.8202 -12.8201 -10.8921 -10.8916 -10.7207 -10.7184 -10.2405 -10.2392 -10.1763 -10.1741 -3.6334 -3.6333 -3.2424 -3.2342 -2.5977 -2.5955 -2.1021 -2.0860 -0.2844 -0.2839 -0.0370 -0.0238 0.6406 0.6545 0.7443 0.7587 1.0718 1.0723 1.1397 1.1531 1.8097 1.8129 1.9575 1.9736 3.0210 3.0267 3.0737 3.0794 3.4107 3.4110 3.6157 3.6173 4.1223 4.1228 4.1355 4.1380 9.3337 9.3675 9.4148 9.4163 9.8239 9.8637 10.3229 10.3232 11.2017 11.2289 k = 0.0000 0.5592 0.4494 ( 4954 PWs) bands (ev): -12.8937 -12.8935 -12.8249 -12.8247 -10.8546 -10.8539 -10.6984 -10.6961 -10.2831 -10.2818 -10.2168 -10.2145 -3.5834 -3.5832 -3.2296 -3.2230 -2.6112 -2.6068 -2.1706 -2.1548 -0.1991 -0.1984 0.0264 0.0394 0.6394 0.6500 0.7320 0.7448 1.0607 1.0609 1.1000 1.1113 1.8063 1.8102 1.9258 1.9410 3.0218 3.0276 3.0634 3.0692 3.4290 3.4295 3.5993 3.6009 4.1257 4.1264 4.1339 4.1363 9.3744 9.4098 9.4483 9.4539 9.8418 9.8787 10.2752 10.2755 11.1547 11.1843 k = 0.0000 0.5592 0.4667 ( 4956 PWs) bands (ev): -12.8853 -12.8851 -12.8300 -12.8298 -10.8169 -10.8161 -10.6790 -10.6768 -10.3208 -10.3195 -10.2552 -10.2530 -3.5333 -3.5330 -3.2300 -3.2251 -2.6100 -2.6033 -2.2375 -2.2221 -0.1171 -0.1164 0.0810 0.0933 0.6360 0.6427 0.7165 0.7284 1.0448 1.0470 1.0703 1.0766 1.8048 1.8095 1.8973 1.9113 3.0227 3.0285 3.0544 3.0603 3.4471 3.4477 3.5829 3.5844 4.1282 4.1290 4.1330 4.1352 9.4135 9.4503 9.4789 9.4896 9.8641 9.8966 10.2251 10.2251 11.1156 11.1479 k = 0.0000 0.5592 0.4840 ( 4954 PWs) bands (ev): -12.8771 -12.8769 -12.8355 -12.8353 -10.7796 -10.7788 -10.6652 -10.6631 -10.3511 -10.3498 -10.2911 -10.2888 -3.4834 -3.4832 -3.2435 -3.2402 -2.5940 -2.5852 -2.3023 -2.2874 -0.0403 -0.0396 0.1228 0.1335 0.6323 0.6346 0.6979 0.7096 1.0272 1.0318 1.0503 1.0507 1.8053 1.8109 1.8725 1.8853 3.0237 3.0297 3.0466 3.0526 3.4649 3.4657 3.5664 3.5679 4.1298 4.1309 4.1324 4.1345 9.4493 9.4871 9.5035 9.5204 9.8919 9.9188 10.1726 10.1734 11.0860 11.1210 k = 0.0000 0.5592 0.5013 ( 4954 PWs) bands (ev): -12.8693 -12.8691 -12.8415 -12.8413 -10.7439 -10.7430 -10.6601 -10.6582 -10.3706 -10.3692 -10.3232 -10.3210 -3.4344 -3.4342 -3.2684 -3.2665 -2.5648 -2.5543 -2.3644 -2.3500 0.0290 0.0293 0.1470 0.1553 0.6291 0.6316 0.6772 0.6891 1.0150 1.0190 1.0327 1.0350 1.8082 1.8147 1.8518 1.8633 3.0253 3.0313 3.0401 3.0461 3.4824 3.4833 3.5499 3.5513 4.1308 4.1321 4.1322 4.1341 9.4801 9.5179 9.5193 9.5428 9.9264 9.9468 10.1189 10.1214 11.0672 11.1048 k = 0.0000 0.5592 0.5186 ( 4946 PWs) bands (ev): -12.8618 -12.8615 -12.8478 -12.8476 -10.7114 -10.7102 -10.6665 -10.6648 -10.3766 -10.3749 -10.3499 -10.3478 -3.3869 -3.3869 -3.3022 -3.3012 -2.5250 -2.5131 -2.4231 -2.4093 0.0868 0.0876 0.1493 0.1546 0.6302 0.6371 0.6567 0.6684 1.0109 1.0124 1.0202 1.0226 1.8139 1.8215 1.8353 1.8454 3.0276 3.0336 3.0348 3.0409 3.4997 3.5006 3.5333 3.5346 4.1314 4.1320 4.1329 4.1338 9.5040 9.5247 9.5408 9.5542 9.9676 9.9818 10.0657 10.0707 11.0602 11.0832 k = 0.0000 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.8546 -12.8546 -12.8544 -12.8544 -10.6845 -10.6845 -10.6831 -10.6831 -10.3688 -10.3688 -10.3669 -10.3669 -3.3424 -3.3424 -3.3420 -3.3420 -2.4771 -2.4771 -2.4642 -2.4642 0.1283 0.1283 0.1310 0.1310 0.6399 0.6399 0.6500 0.6500 1.0131 1.0131 1.0140 1.0140 1.8228 1.8228 1.8316 1.8316 3.0307 3.0307 3.0368 3.0368 3.5166 3.5166 3.5177 3.5177 4.1318 4.1318 4.1334 4.1334 9.5194 9.5194 9.5534 9.5534 10.0146 10.0146 10.0235 10.0235 11.0655 11.0655 k = 0.0000 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.8546 -12.8546 -12.8544 -12.8544 -10.6845 -10.6845 -10.6831 -10.6831 -10.3688 -10.3688 -10.3669 -10.3669 -3.3424 -3.3424 -3.3420 -3.3420 -2.4771 -2.4771 -2.4642 -2.4642 0.1283 0.1283 0.1310 0.1310 0.6399 0.6399 0.6500 0.6500 1.0131 1.0131 1.0140 1.0140 1.8228 1.8228 1.8316 1.8316 3.0307 3.0307 3.0368 3.0368 3.5166 3.5166 3.5177 3.5177 4.1318 4.1318 4.1334 4.1334 9.5194 9.5194 9.5534 9.5534 10.0146 10.0146 10.0235 10.0235 11.0655 11.0655 k = 0.0173 0.5592 0.5359 ( 4952 PWs) bands (ev): -12.8543 -12.8543 -12.8541 -12.8541 -10.6866 -10.6866 -10.6851 -10.6851 -10.3672 -10.3672 -10.3652 -10.3652 -3.3415 -3.3415 -3.3405 -3.3405 -2.4784 -2.4784 -2.4655 -2.4655 0.1289 0.1289 0.1317 0.1317 0.6378 0.6378 0.6492 0.6492 1.0128 1.0128 1.0179 1.0179 1.8217 1.8217 1.8305 1.8305 3.0321 3.0321 3.0382 3.0382 3.5167 3.5167 3.5181 3.5181 4.1303 4.1303 4.1320 4.1320 9.5177 9.5177 9.5515 9.5515 10.0157 10.0157 10.0256 10.0256 11.0635 11.0635 k = 0.0345 0.5592 0.5359 ( 4954 PWs) bands (ev): -12.8535 -12.8535 -12.8533 -12.8533 -10.6927 -10.6927 -10.6909 -10.6909 -10.3625 -10.3625 -10.3603 -10.3603 -3.3381 -3.3381 -3.3363 -3.3363 -2.4824 -2.4824 -2.4694 -2.4694 0.1306 0.1306 0.1340 0.1340 0.6322 0.6322 0.6463 0.6463 1.0157 1.0157 1.0254 1.0254 1.8185 1.8185 1.8274 1.8274 3.0363 3.0363 3.0424 3.0424 3.5173 3.5173 3.5191 3.5191 4.1259 4.1259 4.1277 4.1277 9.5126 9.5126 9.5459 9.5459 10.0190 10.0190 10.0313 10.0313 11.0577 11.0577 k = 0.0518 0.5592 0.5359 ( 4958 PWs) bands (ev): -12.8522 -12.8522 -12.8519 -12.8519 -10.7024 -10.7024 -10.7002 -10.7002 -10.3550 -10.3550 -10.3526 -10.3526 -3.3324 -3.3324 -3.3297 -3.3297 -2.4889 -2.4889 -2.4759 -2.4759 0.1335 0.1335 0.1377 0.1377 0.6238 0.6238 0.6411 0.6411 1.0220 1.0220 1.0358 1.0358 1.8133 1.8133 1.8224 1.8224 3.0432 3.0432 3.0493 3.0493 3.5183 3.5183 3.5208 3.5208 4.1185 4.1185 4.1207 4.1207 9.5044 9.5044 9.5370 9.5370 10.0250 10.0250 10.0402 10.0402 11.0481 11.0481 k = 0.0691 0.5592 0.5359 ( 4960 PWs) bands (ev): -12.8504 -12.8504 -12.8500 -12.8500 -10.7151 -10.7151 -10.7126 -10.7126 -10.3452 -10.3452 -10.3425 -10.3425 -3.3244 -3.3244 -3.3208 -3.3208 -2.4978 -2.4978 -2.4848 -2.4848 0.1376 0.1376 0.1428 0.1428 0.6134 0.6134 0.6335 0.6335 1.0314 1.0314 1.0487 1.0487 1.8063 1.8063 1.8156 1.8156 3.0525 3.0525 3.0587 3.0587 3.5199 3.5199 3.5231 3.5231 4.1084 4.1084 4.1108 4.1108 9.4936 9.4936 9.5252 9.5252 10.0334 10.0334 10.0515 10.0515 11.0354 11.0354 k = 0.0863 0.5592 0.5359 ( 4958 PWs) bands (ev): -12.8480 -12.8480 -12.8476 -12.8476 -10.7304 -10.7304 -10.7275 -10.7275 -10.3335 -10.3335 -10.3306 -10.3306 -3.3143 -3.3143 -3.3098 -3.3098 -2.5089 -2.5089 -2.4958 -2.4958 0.1430 0.1430 0.1492 0.1492 0.6013 0.6013 0.6240 0.6240 1.0434 1.0434 1.0635 1.0635 1.7977 1.7977 1.8072 1.8072 3.0638 3.0638 3.0700 3.0700 3.5222 3.5222 3.5261 3.5261 4.0955 4.0955 4.0983 4.0983 9.4807 9.4807 9.5110 9.5110 10.0443 10.0443 10.0650 10.0650 11.0198 11.0198 k = 0.1036 0.5592 0.5359 ( 4958 PWs) bands (ev): -12.8452 -12.8452 -12.8448 -12.8448 -10.7476 -10.7476 -10.7445 -10.7445 -10.3203 -10.3203 -10.3173 -10.3173 -3.3024 -3.3024 -3.2971 -3.2971 -2.5220 -2.5220 -2.5088 -2.5088 0.1496 0.1496 0.1569 0.1569 0.5882 0.5882 0.6127 0.6127 1.0574 1.0574 1.0797 1.0797 1.7877 1.7877 1.7975 1.7975 3.0768 3.0768 3.0831 3.0831 3.5253 3.5253 3.5299 3.5299 4.0800 4.0800 4.0832 4.0832 9.4662 9.4662 9.4951 9.4951 10.0573 10.0573 10.0803 10.0803 11.0019 11.0019 k = 0.1209 0.5592 0.5359 ( 4958 PWs) bands (ev): -12.8420 -12.8420 -12.8415 -12.8415 -10.7664 -10.7664 -10.7631 -10.7631 -10.3061 -10.3061 -10.3030 -10.3030 -3.2891 -3.2891 -3.2829 -3.2829 -2.5365 -2.5365 -2.5232 -2.5232 0.1574 0.1574 0.1659 0.1659 0.5743 0.5743 0.6001 0.6001 1.0730 1.0730 1.0969 1.0969 1.7767 1.7767 1.7867 1.7867 3.0911 3.0911 3.0973 3.0973 3.5293 3.5293 3.5346 3.5346 4.0621 4.0621 4.0657 4.0657 9.4505 9.4505 9.4780 9.4780 10.0720 10.0720 10.0970 10.0970 10.9820 10.9820 k = 0.1381 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.8384 -12.8384 -12.8378 -12.8378 -10.7863 -10.7863 -10.7828 -10.7828 -10.2912 -10.2912 -10.2880 -10.2880 -3.2749 -3.2749 -3.2678 -3.2678 -2.5522 -2.5522 -2.5387 -2.5387 0.1665 0.1665 0.1762 0.1762 0.5599 0.5599 0.5865 0.5865 1.0897 1.0897 1.1148 1.1148 1.7649 1.7649 1.7752 1.7752 3.1060 3.1060 3.1123 3.1123 3.5344 3.5344 3.5404 3.5404 4.0420 4.0420 4.0460 4.0460 9.4342 9.4342 9.4602 9.4602 10.0884 10.0884 10.1149 10.1149 10.9608 10.9608 k = 0.1554 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.8344 -12.8344 -12.8338 -12.8338 -10.8070 -10.8070 -10.8034 -10.8034 -10.2758 -10.2758 -10.2725 -10.2725 -3.2603 -3.2603 -3.2524 -3.2524 -2.5683 -2.5683 -2.5547 -2.5547 0.1767 0.1767 0.1877 0.1877 0.5452 0.5452 0.5722 0.5722 1.1071 1.1071 1.1329 1.1329 1.7527 1.7527 1.7632 1.7632 3.1211 3.1211 3.1273 3.1273 3.5409 3.5409 3.5474 3.5474 4.0198 4.0198 4.0242 4.0242 9.4178 9.4178 9.4423 9.4423 10.1060 10.1060 10.1337 10.1337 10.9385 10.9385 k = 0.1727 0.5592 0.5359 ( 4944 PWs) bands (ev): -12.8302 -12.8302 -12.8295 -12.8295 -10.8282 -10.8282 -10.8246 -10.8246 -10.2600 -10.2600 -10.2567 -10.2567 -3.2461 -3.2461 -3.2374 -3.2374 -2.5841 -2.5841 -2.5703 -2.5703 0.1881 0.1881 0.2003 0.2003 0.5304 0.5304 0.5573 0.5573 1.1247 1.1247 1.1509 1.1509 1.7403 1.7403 1.7511 1.7511 3.1358 3.1358 3.1419 3.1419 3.5488 3.5488 3.5559 3.5559 3.9959 3.9959 4.0007 4.0007 9.4015 9.4015 9.4246 9.4246 10.1247 10.1247 10.1533 10.1533 10.9156 10.9156 k = 0.1899 0.5592 0.5359 ( 4940 PWs) bands (ev): -12.8257 -12.8257 -12.8250 -12.8250 -10.8498 -10.8498 -10.8461 -10.8461 -10.2440 -10.2440 -10.2408 -10.2408 -3.2331 -3.2331 -3.2238 -3.2238 -2.5987 -2.5987 -2.5847 -2.5847 0.2006 0.2006 0.2142 0.2142 0.5155 0.5155 0.5420 0.5420 1.1422 1.1422 1.1686 1.1686 1.7281 1.7281 1.7391 1.7391 3.1495 3.1495 3.1554 3.1554 3.5585 3.5585 3.5661 3.5661 3.9704 3.9704 3.9757 3.9757 9.3857 9.3857 9.4075 9.4075 10.1442 10.1442 10.1733 10.1733 10.8925 10.8925 k = 0.2072 0.5592 0.5359 ( 4940 PWs) bands (ev): -12.8211 -12.8211 -12.8204 -12.8204 -10.8714 -10.8714 -10.8677 -10.8677 -10.2280 -10.2280 -10.2247 -10.2247 -3.2226 -3.2226 -3.2127 -3.2127 -2.6110 -2.6110 -2.5968 -2.5968 0.2142 0.2142 0.2292 0.2292 0.5006 0.5006 0.5265 0.5265 1.1593 1.1593 1.1856 1.1856 1.7164 1.7164 1.7274 1.7274 3.1617 3.1617 3.1674 3.1674 3.5701 3.5701 3.5781 3.5781 3.9438 3.9438 3.9495 3.9495 9.3706 9.3706 9.3912 9.3912 10.1642 10.1642 10.1936 10.1936 10.8696 10.8696 k = 0.2245 0.5592 0.5359 ( 4946 PWs) bands (ev): -12.8164 -12.8164 -12.8157 -12.8157 -10.8928 -10.8928 -10.8891 -10.8891 -10.2119 -10.2119 -10.2087 -10.2087 -3.2155 -3.2155 -3.2053 -3.2053 -2.6198 -2.6198 -2.6055 -2.6055 0.2289 0.2289 0.2454 0.2454 0.4859 0.4859 0.5108 0.5108 1.1756 1.1756 1.2015 1.2015 1.7054 1.7054 1.7163 1.7163 3.1720 3.1720 3.1775 3.1775 3.5838 3.5838 3.5920 3.5920 3.9162 3.9162 3.9223 3.9223 9.3564 9.3564 9.3759 9.3759 10.1845 10.1845 10.2138 10.2138 10.8476 10.8476 k = 0.2417 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.8117 -12.8117 -12.8109 -12.8109 -10.9140 -10.9140 -10.9103 -10.9103 -10.1959 -10.1959 -10.1927 -10.1927 -3.2131 -3.2131 -3.2028 -3.2028 -2.6239 -2.6239 -2.6097 -2.6097 0.2446 0.2446 0.2626 0.2626 0.4713 0.4713 0.4950 0.4950 1.1908 1.1908 1.2162 1.2162 1.6953 1.6953 1.7062 1.7062 3.1799 3.1799 3.1852 3.1852 3.5995 3.5995 3.6080 3.6080 3.8882 3.8882 3.8947 3.8947 9.3431 9.3431 9.3618 9.3618 10.2047 10.2047 10.2335 10.2335 10.8268 10.8268 k = 0.2590 0.5592 0.5359 ( 4950 PWs) bands (ev): -12.8070 -12.8070 -12.8063 -12.8063 -10.9346 -10.9346 -10.9309 -10.9309 -10.1800 -10.1800 -10.1768 -10.1768 -3.2165 -3.2165 -3.2062 -3.2062 -2.6224 -2.6224 -2.6083 -2.6083 0.2611 0.2611 0.2809 0.2809 0.4570 0.4570 0.4792 0.4792 1.2045 1.2045 1.2294 1.2294 1.6866 1.6866 1.6971 1.6971 3.1854 3.1854 3.1904 3.1904 3.6173 3.6173 3.6259 3.6259 3.8600 3.8600 3.8669 3.8669 9.3309 9.3309 9.3488 9.3488 10.2243 10.2243 10.2522 10.2522 10.8082 10.8082 k = 0.2763 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.8025 -12.8025 -12.8018 -12.8018 -10.9545 -10.9545 -10.9509 -10.9509 -10.1642 -10.1642 -10.1610 -10.1610 -3.2261 -3.2261 -3.2162 -3.2162 -2.6147 -2.6147 -2.6008 -2.6008 0.2784 0.2784 0.3002 0.3002 0.4430 0.4430 0.4634 0.4634 1.2165 1.2165 1.2405 1.2405 1.6794 1.6794 1.6894 1.6894 3.1883 3.1883 3.1931 3.1931 3.6368 3.6368 3.6455 3.6455 3.8322 3.8322 3.8393 3.8393 9.3197 9.3197 9.3371 9.3371 10.2426 10.2426 10.2693 10.2693 10.7924 10.7924 k = 0.2935 0.5592 0.5359 ( 4952 PWs) bands (ev): -12.7983 -12.7983 -12.7975 -12.7975 -10.9736 -10.9736 -10.9700 -10.9700 -10.1485 -10.1485 -10.1454 -10.1454 -3.2423 -3.2423 -3.2329 -3.2329 -2.6007 -2.6007 -2.5871 -2.5871 0.2959 0.2959 0.3203 0.3203 0.4297 0.4297 0.4481 0.4481 1.2263 1.2263 1.2495 1.2495 1.6741 1.6741 1.6834 1.6834 3.1886 3.1886 3.1933 3.1933 3.6576 3.6576 3.6664 3.6664 3.8051 3.8051 3.8124 3.8124 9.3095 9.3095 9.3265 9.3265 10.2589 10.2589 10.2840 10.2840 10.7803 10.7803 k = 0.3108 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.7943 -12.7943 -12.7936 -12.7936 -10.9917 -10.9917 -10.9882 -10.9882 -10.1329 -10.1329 -10.1299 -10.1299 -3.2647 -3.2647 -3.2559 -3.2559 -2.5808 -2.5808 -2.5674 -2.5674 0.3130 0.3130 0.3408 0.3408 0.4175 0.4175 0.4336 0.4336 1.2336 1.2336 1.2558 1.2558 1.6709 1.6709 1.6794 1.6794 3.1867 3.1867 3.1912 3.1912 3.6788 3.6788 3.6876 3.6876 3.7800 3.7800 3.7873 3.7873 9.3002 9.3002 9.3170 9.3170 10.2721 10.2721 10.2955 10.2955 10.7731 10.7731 k = 0.3281 0.5592 0.5359 ( 4946 PWs) bands (ev): -12.7908 -12.7908 -12.7901 -12.7901 -11.0087 -11.0087 -11.0052 -11.0052 -10.1176 -10.1176 -10.1145 -10.1145 -3.2928 -3.2928 -3.2846 -3.2846 -2.5557 -2.5557 -2.5423 -2.5423 0.3277 0.3277 0.3606 0.3606 0.4076 0.4076 0.4221 0.4221 1.2379 1.2379 1.2592 1.2592 1.6699 1.6699 1.6778 1.6778 3.1827 3.1827 3.1871 3.1871 3.6974 3.6974 3.7056 3.7056 3.7602 3.7602 3.7665 3.7665 9.2918 9.2918 9.3084 9.3084 10.2814 10.2814 10.3031 10.3031 10.7714 10.7714 k = 0.3453 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.7878 -12.7878 -12.7871 -12.7871 -11.0243 -11.0243 -11.0210 -11.0210 -10.1024 -10.1024 -10.0994 -10.0994 -3.3259 -3.3259 -3.3182 -3.3182 -2.5263 -2.5263 -2.5128 -2.5128 0.3362 0.3362 0.3734 0.3734 0.4044 0.4044 0.4190 0.4190 1.2388 1.2388 1.2593 1.2593 1.6713 1.6713 1.6789 1.6789 3.1769 3.1769 3.1813 3.1813 3.7021 3.7021 3.7089 3.7089 3.7575 3.7575 3.7611 3.7611 9.2840 9.2840 9.3006 9.3006 10.2856 10.2856 10.3062 10.3062 10.7756 10.7756 k = 0.3453 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.7878 -12.7878 -12.7871 -12.7871 -11.0243 -11.0243 -11.0210 -11.0210 -10.1024 -10.1024 -10.0994 -10.0994 -3.3259 -3.3259 -3.3182 -3.3182 -2.5263 -2.5263 -2.5128 -2.5128 0.3362 0.3362 0.3734 0.3734 0.4044 0.4044 0.4190 0.4190 1.2388 1.2388 1.2593 1.2593 1.6713 1.6713 1.6789 1.6789 3.1769 3.1769 3.1813 3.1813 3.7021 3.7021 3.7089 3.7089 3.7575 3.7575 3.7611 3.7611 9.2840 9.2840 9.3006 9.3006 10.2856 10.2856 10.3062 10.3062 10.7756 10.7756 k = 0.3362 0.5445 0.5359 ( 4948 PWs) bands (ev): -12.7932 -12.7932 -12.7924 -12.7924 -10.9950 -10.9950 -10.9915 -10.9915 -10.1314 -10.1314 -10.1283 -10.1283 -3.2577 -3.2577 -3.2491 -3.2491 -2.5874 -2.5874 -2.5741 -2.5741 0.3288 0.3288 0.3658 0.3658 0.3960 0.3960 0.4123 0.4123 1.2395 1.2395 1.2612 1.2612 1.6672 1.6672 1.6749 1.6749 3.1886 3.1886 3.1931 3.1931 3.7159 3.7159 3.7239 3.7239 3.7430 3.7430 3.7458 3.7458 9.2969 9.2969 9.3135 9.3135 10.2826 10.2826 10.3044 10.3044 10.7686 10.7686 k = 0.3272 0.5298 0.5359 ( 4950 PWs) bands (ev): -12.7988 -12.7988 -12.7980 -12.7980 -10.9643 -10.9643 -10.9606 -10.9606 -10.1606 -10.1606 -10.1575 -10.1575 -3.1878 -3.1878 -3.1784 -3.1784 -2.6508 -2.6508 -2.6379 -2.6379 0.3218 0.3218 0.3586 0.3586 0.3873 0.3873 0.4050 0.4050 1.2382 1.2382 1.2611 1.2611 1.6652 1.6652 1.6729 1.6729 3.1991 3.1991 3.2037 3.2037 3.7222 3.7222 3.7305 3.7305 3.7382 3.7382 3.7409 3.7409 9.3071 9.3071 9.3235 9.3235 10.2789 10.2789 10.3018 10.3018 10.7669 10.7669 k = 0.3181 0.5151 0.5359 ( 4958 PWs) bands (ev): -12.8046 -12.8046 -12.8038 -12.8038 -10.9322 -10.9322 -10.9284 -10.9284 -10.1900 -10.1900 -10.1869 -10.1869 -3.1167 -3.1167 -3.1063 -3.1063 -2.7165 -2.7165 -2.7039 -2.7039 0.3149 0.3149 0.3517 0.3517 0.3782 0.3782 0.3973 0.3973 1.2352 1.2352 1.2592 1.2592 1.6655 1.6655 1.6733 1.6733 3.2082 3.2082 3.2128 3.2128 3.7128 3.7128 3.7187 3.7187 3.7513 3.7513 3.7567 3.7567 9.3142 9.3142 9.3303 9.3303 10.2738 10.2738 10.2977 10.2977 10.7707 10.7707 k = 0.3090 0.5004 0.5359 ( 4950 PWs) bands (ev): -12.8108 -12.8108 -12.8099 -12.8099 -10.8988 -10.8988 -10.8949 -10.8949 -10.2195 -10.2195 -10.2164 -10.2164 -3.0445 -3.0445 -3.0332 -3.0332 -2.7841 -2.7841 -2.7721 -2.7721 0.3081 0.3081 0.3449 0.3449 0.3689 0.3689 0.3889 0.3889 1.2306 1.2306 1.2555 1.2555 1.6683 1.6683 1.6762 1.6762 3.2159 3.2159 3.2205 3.2205 3.7028 3.7028 3.7081 3.7081 3.7674 3.7674 3.7736 3.7736 9.3181 9.3181 9.3338 9.3338 10.2669 10.2669 10.2917 10.2917 10.7804 10.7804 k = 0.2999 0.4856 0.5359 ( 4954 PWs) bands (ev): -12.8172 -12.8172 -12.8163 -12.8163 -10.8642 -10.8642 -10.8601 -10.8601 -10.2488 -10.2488 -10.2457 -10.2457 -2.9719 -2.9719 -2.9592 -2.9592 -2.8532 -2.8532 -2.8420 -2.8420 0.3011 0.3011 0.3381 0.3381 0.3594 0.3594 0.3801 0.3801 1.2247 1.2247 1.2504 1.2504 1.6737 1.6737 1.6817 1.6817 3.2221 3.2221 3.2267 3.2267 3.6943 3.6943 3.6994 3.6994 3.7844 3.7844 3.7909 3.7909 9.3189 9.3189 9.3341 9.3341 10.2574 10.2574 10.2831 10.2831 10.7959 10.7959 k = 0.2908 0.4709 0.5359 ( 4958 PWs) bands (ev): -12.8238 -12.8238 -12.8229 -12.8229 -10.8284 -10.8284 -10.8241 -10.8241 -10.2779 -10.2779 -10.2748 -10.2748 -2.9283 -2.9283 -2.9145 -2.9145 -2.8945 -2.8945 -2.8839 -2.8839 0.2936 0.2936 0.3310 0.3310 0.3497 0.3497 0.3707 0.3707 1.2178 1.2178 1.2442 1.2442 1.6817 1.6817 1.6898 1.6898 3.2267 3.2267 3.2313 3.2313 3.6876 3.6876 3.6925 3.6925 3.8017 3.8017 3.8086 3.8086 9.3167 9.3167 9.3314 9.3314 10.2450 10.2450 10.2714 10.2714 10.8170 10.8170 k = 0.2817 0.4562 0.5359 ( 4958 PWs) bands (ev): -12.8306 -12.8306 -12.8297 -12.8297 -10.7914 -10.7914 -10.7871 -10.7871 -10.3066 -10.3066 -10.3035 -10.3035 -2.9985 -2.9985 -2.9872 -2.9872 -2.8232 -2.8232 -2.8096 -2.8096 0.2855 0.2855 0.3236 0.3236 0.3399 0.3399 0.3609 0.3609 1.2101 1.2101 1.2371 1.2371 1.6924 1.6924 1.7007 1.7007 3.2298 3.2298 3.2343 3.2343 3.6829 3.6829 3.6875 3.6875 3.8194 3.8194 3.8265 3.8265 9.3117 9.3117 9.3258 9.3258 10.2292 10.2292 10.2563 10.2563 10.8435 10.8435 k = 0.2726 0.4415 0.5359 ( 4954 PWs) bands (ev): -12.8376 -12.8376 -12.8367 -12.8367 -10.7534 -10.7534 -10.7489 -10.7489 -10.3349 -10.3349 -10.3319 -10.3319 -3.0722 -3.0722 -3.0617 -3.0617 -2.7498 -2.7498 -2.7349 -2.7349 0.2766 0.2766 0.3155 0.3155 0.3299 0.3299 0.3506 0.3506 1.2020 1.2020 1.2295 1.2295 1.7059 1.7059 1.7144 1.7144 3.2314 3.2314 3.2359 3.2359 3.6800 3.6800 3.6845 3.6845 3.8371 3.8371 3.8444 3.8444 9.3043 9.3043 9.3177 9.3177 10.2098 10.2098 10.2374 10.2374 10.8750 10.8750 k = 0.2635 0.4268 0.5359 ( 4956 PWs) bands (ev): -12.8448 -12.8448 -12.8439 -12.8439 -10.7144 -10.7144 -10.7099 -10.7099 -10.3627 -10.3627 -10.3598 -10.3598 -3.1471 -3.1471 -3.1373 -3.1373 -2.6764 -2.6764 -2.6605 -2.6605 0.2669 0.2669 0.3066 0.3066 0.3197 0.3197 0.3399 0.3399 1.1939 1.1939 1.2218 1.2218 1.7221 1.7221 1.7307 1.7307 3.2315 3.2315 3.2359 3.2359 3.6791 3.6791 3.6833 3.6833 3.8548 3.8548 3.8624 3.8624 9.2948 9.2948 9.3076 9.3076 10.1866 10.1866 10.2146 10.2146 10.9110 10.9110 k = 0.2545 0.4121 0.5359 ( 4956 PWs) bands (ev): -12.8522 -12.8522 -12.8512 -12.8512 -10.6746 -10.6746 -10.6699 -10.6699 -10.3899 -10.3899 -10.3870 -10.3870 -3.2229 -3.2229 -3.2137 -3.2137 -2.6037 -2.6037 -2.5866 -2.5866 0.2563 0.2563 0.2968 0.2968 0.3092 0.3092 0.3289 0.3289 1.1861 1.1861 1.2142 1.2142 1.7409 1.7409 1.7497 1.7497 3.2303 3.2303 3.2345 3.2345 3.6799 3.6799 3.6838 3.6838 3.8724 3.8724 3.8802 3.8802 9.2836 9.2836 9.2957 9.2957 10.1597 10.1597 10.1881 10.1881 10.9508 10.9508 k = 0.2454 0.3973 0.5359 ( 4952 PWs) bands (ev): -12.8597 -12.8597 -12.8587 -12.8587 -10.6340 -10.6340 -10.6292 -10.6292 -10.4164 -10.4164 -10.4136 -10.4136 -3.2994 -3.2994 -3.2909 -3.2909 -2.5317 -2.5317 -2.5135 -2.5135 0.2450 0.2450 0.2859 0.2859 0.2983 0.2983 0.3177 0.3177 1.1789 1.1789 1.2072 1.2072 1.7622 1.7622 1.7712 1.7712 3.2277 3.2277 3.2319 3.2319 3.6824 3.6824 3.6861 3.6861 3.8898 3.8898 3.8978 3.8978 9.2711 9.2711 9.2826 9.2826 10.1292 10.1292 10.1577 10.1577 10.9938 10.9938 k = 0.2363 0.3826 0.5359 ( 4952 PWs) bands (ev): -12.8673 -12.8673 -12.8663 -12.8663 -10.5927 -10.5927 -10.5878 -10.5878 -10.4422 -10.4422 -10.4395 -10.4395 -3.3764 -3.3764 -3.3684 -3.3684 -2.4607 -2.4607 -2.4415 -2.4415 0.2330 0.2330 0.2739 0.2739 0.2869 0.2869 0.3063 0.3063 1.1725 1.1725 1.2009 1.2009 1.7859 1.7859 1.7952 1.7952 3.2239 3.2239 3.2280 3.2280 3.6865 3.6865 3.6898 3.6898 3.9068 3.9068 3.9150 3.9150 9.2577 9.2577 9.2686 9.2686 10.0953 10.0953 10.1240 10.1240 11.0393 11.0393 k = 0.2272 0.3679 0.5359 ( 4948 PWs) bands (ev): -12.8750 -12.8750 -12.8740 -12.8740 -10.5508 -10.5508 -10.5459 -10.5459 -10.4671 -10.4671 -10.4646 -10.4646 -3.4536 -3.4536 -3.4462 -3.4462 -2.3910 -2.3910 -2.3708 -2.3708 0.2203 0.2203 0.2605 0.2605 0.2751 0.2751 0.2950 0.2950 1.1674 1.1674 1.1956 1.1956 1.8117 1.8117 1.8212 1.8212 3.2191 3.2191 3.2231 3.2231 3.6920 3.6920 3.6950 3.6950 3.9234 3.9234 3.9318 3.9318 9.2435 9.2435 9.2539 9.2539 10.0584 10.0584 10.0870 10.0870 11.0865 11.0865 k = 0.2181 0.3532 0.5359 ( 4952 PWs) bands (ev): -12.8828 -12.8828 -12.8818 -12.8818 -10.5094 -10.5094 -10.5039 -10.5039 -10.4903 -10.4903 -10.4884 -10.4884 -3.5308 -3.5308 -3.5241 -3.5241 -2.3228 -2.3228 -2.3016 -2.3016 0.2070 0.2070 0.2459 0.2459 0.2628 0.2628 0.2838 0.2838 1.1635 1.1635 1.1915 1.1915 1.8395 1.8395 1.8493 1.8493 3.2134 3.2134 3.2173 3.2173 3.6987 3.6987 3.7015 3.7015 3.9394 3.9394 3.9481 3.9481 9.2289 9.2289 9.2387 9.2387 10.0189 10.0189 10.0473 10.0473 11.1348 11.1348 k = 0.2090 0.3385 0.5359 ( 4952 PWs) bands (ev): -12.8906 -12.8906 -12.8896 -12.8896 -10.5154 -10.5154 -10.5125 -10.5125 -10.4649 -10.4649 -10.4604 -10.4604 -3.6077 -3.6077 -3.6016 -3.6016 -2.2564 -2.2564 -2.2342 -2.2342 0.1931 0.1931 0.2299 0.2299 0.2502 0.2502 0.2730 0.2730 1.1611 1.1611 1.1888 1.1888 1.8690 1.8690 1.8789 1.8789 3.2071 3.2071 3.2109 3.2109 3.7066 3.7066 3.7090 3.7090 3.9549 3.9549 3.9637 3.9637 9.2140 9.2140 9.2233 9.2233 9.9771 9.9771 10.0053 10.0053 11.1832 11.1832 k = 0.1999 0.3238 0.5359 ( 4960 PWs) bands (ev): -12.8984 -12.8984 -12.8974 -12.8974 -10.5375 -10.5375 -10.5349 -10.5349 -10.4222 -10.4222 -10.4175 -10.4175 -3.6843 -3.6843 -3.6788 -3.6788 -2.1918 -2.1918 -2.1688 -2.1688 0.1784 0.1784 0.2127 0.2127 0.2376 0.2376 0.2626 0.2626 1.1602 1.1602 1.1874 1.1874 1.8998 1.8998 1.9099 1.9099 3.2003 3.2003 3.2040 3.2040 3.7155 3.7155 3.7176 3.7176 3.9696 3.9696 3.9787 3.9787 9.1989 9.1989 9.2077 9.2077 9.9336 9.9336 9.9613 9.9613 11.2308 11.2308 k = 0.1908 0.3090 0.5359 ( 4960 PWs) bands (ev): -12.9061 -12.9061 -12.9051 -12.9051 -10.5589 -10.5589 -10.5565 -10.5565 -10.3792 -10.3792 -10.3745 -10.3745 -3.7602 -3.7602 -3.7552 -3.7552 -2.1293 -2.1293 -2.1055 -2.1055 0.1630 0.1630 0.1943 0.1943 0.2254 0.2254 0.2527 0.2527 1.1608 1.1608 1.1874 1.1874 1.9316 1.9316 1.9418 1.9418 3.1933 3.1933 3.1970 3.1970 3.7252 3.7252 3.7270 3.7270 3.9837 3.9837 3.9929 3.9929 9.1836 9.1836 9.1920 9.1920 9.8887 9.8887 9.9160 9.9160 11.2767 11.2767 k = 0.1818 0.2943 0.5359 ( 4952 PWs) bands (ev): -12.9138 -12.9138 -12.9128 -12.9128 -10.5794 -10.5794 -10.5770 -10.5770 -10.3362 -10.3362 -10.3315 -10.3315 -3.8351 -3.8351 -3.8307 -3.8307 -2.0690 -2.0690 -2.0446 -2.0446 0.1467 0.1467 0.1749 0.1749 0.2138 0.2138 0.2435 0.2435 1.1629 1.1629 1.1888 1.1888 1.9640 1.9640 1.9743 1.9743 3.1865 3.1865 3.1901 3.1901 3.7356 3.7356 3.7370 3.7370 3.9969 3.9969 4.0063 4.0063 9.1683 9.1683 9.1763 9.1763 9.8429 9.8429 9.8696 9.8696 11.3199 11.3199 k = 0.1727 0.2796 0.5359 ( 4944 PWs) bands (ev): -12.9214 -12.9214 -12.9204 -12.9204 -10.5989 -10.5989 -10.5967 -10.5967 -10.2934 -10.2934 -10.2888 -10.2888 -3.9089 -3.9089 -3.9050 -3.9050 -2.0111 -2.0111 -1.9862 -1.9862 0.1295 0.1295 0.1548 0.1548 0.2032 0.2032 0.2350 0.2350 1.1663 1.1663 1.1914 1.1914 1.9966 1.9966 2.0069 2.0069 3.1800 3.1800 3.1836 3.1836 3.7465 3.7465 3.7476 3.7476 4.0094 4.0094 4.0188 4.0188 9.1528 9.1528 9.1604 9.1604 9.7967 9.7967 9.8228 9.8228 11.3593 11.3593 k = 0.1636 0.2649 0.5359 ( 4936 PWs) bands (ev): -12.9288 -12.9288 -12.9279 -12.9279 -10.6174 -10.6174 -10.6153 -10.6153 -10.2511 -10.2511 -10.2464 -10.2464 -3.9812 -3.9812 -3.9778 -3.9778 -1.9558 -1.9558 -1.9304 -1.9304 0.1116 0.1116 0.1341 0.1341 0.1937 0.1937 0.2272 0.2272 1.1710 1.1710 1.1952 1.1952 2.0289 2.0289 2.0391 2.0391 3.1742 3.1742 3.1779 3.1779 3.7577 3.7577 3.7586 3.7586 4.0210 4.0210 4.0305 4.0305 9.1371 9.1371 9.1444 9.1444 9.7505 9.7505 9.7757 9.7757 11.3940 11.3940 k = 0.1545 0.2502 0.5359 ( 4934 PWs) bands (ev): -12.9361 -12.9361 -12.9352 -12.9352 -10.6349 -10.6349 -10.6329 -10.6329 -10.2092 -10.2092 -10.2047 -10.2047 -4.0519 -4.0519 -4.0489 -4.0489 -1.9031 -1.9031 -1.8775 -1.8775 0.0930 0.0930 0.1131 0.1131 0.1855 0.1855 0.2203 0.2203 1.1767 1.1767 1.2000 1.2000 2.0604 2.0604 2.0704 2.0704 3.1695 3.1695 3.1733 3.1733 3.7692 3.7692 3.7699 3.7699 4.0317 4.0317 4.0413 4.0413 9.1211 9.1211 9.1281 9.1281 9.7046 9.7046 9.7289 9.7289 11.4232 11.4232 k = 0.1454 0.2355 0.5359 ( 4938 PWs) bands (ev): -12.9432 -12.9432 -12.9423 -12.9423 -10.6514 -10.6514 -10.6495 -10.6495 -10.1682 -10.1682 -10.1637 -10.1637 -4.1206 -4.1206 -4.1180 -4.1180 -1.8532 -1.8532 -1.8275 -1.8275 0.0741 0.0741 0.0920 0.0920 0.1786 0.1786 0.2141 0.2141 1.1834 1.1834 1.2056 1.2056 2.0906 2.0906 2.1003 2.1003 3.1662 3.1662 3.1700 3.1700 3.7808 3.7808 3.7813 3.7813 4.0416 4.0416 4.0511 4.0511 9.1048 9.1048 9.1115 9.1115 9.6594 9.6594 9.6828 9.6828 11.4468 11.4468 k = 0.1363 0.2207 0.5359 ( 4946 PWs) bands (ev): -12.9500 -12.9500 -12.9492 -12.9492 -10.6668 -10.6668 -10.6650 -10.6650 -10.1280 -10.1280 -10.1237 -10.1237 -4.1871 -4.1871 -4.1849 -4.1849 -1.8061 -1.8061 -1.7805 -1.7805 0.0551 0.0551 0.0711 0.0711 0.1729 0.1729 0.2087 0.2087 1.1908 1.1908 1.2119 1.2119 2.1192 2.1192 2.1285 2.1285 3.1645 3.1645 3.1685 3.1685 3.7924 3.7924 3.7927 3.7927 4.0505 4.0505 4.0601 4.0601 9.0882 9.0882 9.0946 9.0946 9.6153 9.6153 9.6377 9.6377 11.4649 11.4649 k = 0.1272 0.2060 0.5359 ( 4938 PWs) bands (ev): -12.9566 -12.9566 -12.9558 -12.9558 -10.6812 -10.6812 -10.6796 -10.6796 -10.0890 -10.0890 -10.0849 -10.0849 -4.2511 -4.2511 -4.2492 -4.2492 -1.7618 -1.7618 -1.7367 -1.7367 0.0362 0.0362 0.0505 0.0505 0.1686 0.1686 0.2042 0.2042 1.1987 1.1987 1.2186 1.2186 2.1455 2.1455 2.1544 2.1544 3.1647 3.1647 3.1690 3.1690 3.8039 3.8039 3.8039 3.8039 4.0586 4.0586 4.0681 4.0681 9.0713 9.0713 9.0774 9.0774 9.5725 9.5725 9.5938 9.5938 11.4783 11.4783 k = 0.1181 0.1913 0.5359 ( 4952 PWs) bands (ev): -12.9629 -12.9629 -12.9621 -12.9621 -10.6946 -10.6946 -10.6931 -10.6931 -10.0514 -10.0514 -10.0474 -10.0474 -4.3123 -4.3123 -4.3108 -4.3108 -1.7206 -1.7206 -1.6960 -1.6960 0.0177 0.0177 0.0305 0.0305 0.1654 0.1654 0.2004 0.2004 1.2071 1.2071 1.2257 1.2257 2.1694 2.1694 2.1777 2.1777 3.1670 3.1670 3.1715 3.1715 3.8150 3.8150 3.8151 3.8151 4.0658 4.0658 4.0752 4.0752 9.0541 9.0541 9.0599 9.0599 9.5315 9.5315 9.5516 9.5516 11.4883 11.4883 k = 0.1091 0.1766 0.5359 ( 4952 PWs) bands (ev): -12.9688 -12.9688 -12.9681 -12.9681 -10.7070 -10.7070 -10.7056 -10.7056 -10.0153 -10.0153 -10.0115 -10.0115 -4.3705 -4.3705 -4.3692 -4.3692 -1.6824 -1.6824 -1.6585 -1.6585 -0.0002 -0.0002 0.0113 0.0113 0.1634 0.1634 0.1974 0.1974 1.2156 1.2156 1.2329 1.2329 2.1906 2.1906 2.1981 2.1981 3.1715 3.1715 3.1762 3.1762 3.8257 3.8257 3.8259 3.8259 4.0722 4.0722 4.0814 4.0814 9.0367 9.0367 9.0422 9.0422 9.4924 9.4924 9.5112 9.5112 11.4959 11.4959 k = 0.1000 0.1619 0.5359 ( 4954 PWs) bands (ev): -12.9744 -12.9744 -12.9737 -12.9737 -10.7184 -10.7184 -10.7171 -10.7171 -9.9811 -9.9811 -9.9775 -9.9775 -4.4253 -4.4253 -4.4243 -4.4243 -1.6471 -1.6471 -1.6243 -1.6243 -0.0173 -0.0173 -0.0071 -0.0071 0.1624 0.1624 0.1950 0.1950 1.2241 1.2241 1.2402 1.2402 2.2088 2.2088 2.2156 2.2156 3.1780 3.1780 3.1830 3.1830 3.8359 3.8359 3.8362 3.8362 4.0778 4.0778 4.0867 4.0867 9.0193 9.0193 9.0245 9.0245 9.4555 9.4555 9.4731 9.4731 11.5024 11.5024 k = 0.0909 0.1472 0.5359 ( 4950 PWs) bands (ev): -12.9796 -12.9796 -12.9789 -12.9789 -10.7287 -10.7287 -10.7275 -10.7275 -9.9488 -9.9488 -9.9454 -9.9454 -4.4765 -4.4765 -4.4757 -4.4757 -1.6149 -1.6149 -1.5933 -1.5933 -0.0335 -0.0335 -0.0243 -0.0243 0.1623 0.1623 0.1932 0.1932 1.2326 1.2326 1.2472 1.2472 2.2241 2.2241 2.2301 2.2301 3.1864 3.1864 3.1915 3.1915 3.8456 3.8456 3.8460 3.8460 4.0826 4.0826 4.0911 4.0911 9.0020 9.0020 9.0069 9.0069 9.4211 9.4211 9.4373 9.4373 11.5086 11.5086 k = 0.0818 0.1324 0.5359 ( 4946 PWs) bands (ev): -12.9843 -12.9843 -12.9838 -12.9838 -10.7380 -10.7380 -10.7369 -10.7369 -9.9187 -9.9187 -9.9156 -9.9156 -4.5238 -4.5238 -4.5232 -4.5232 -1.5858 -1.5858 -1.5656 -1.5656 -0.0484 -0.0484 -0.0404 -0.0404 0.1630 0.1630 0.1918 0.1918 1.2407 1.2407 1.2540 1.2540 2.2365 2.2365 2.2418 2.2418 3.1964 3.1964 3.2016 3.2016 3.8547 3.8547 3.8551 3.8551 4.0868 4.0868 4.0948 4.0948 8.9851 8.9851 8.9896 8.9896 9.3894 9.3894 9.4041 9.4041 11.5150 11.5150 k = 0.0727 0.1177 0.5359 ( 4942 PWs) bands (ev): -12.9887 -12.9887 -12.9882 -12.9882 -10.7463 -10.7463 -10.7454 -10.7454 -9.8911 -9.8911 -9.8883 -9.8883 -4.5670 -4.5670 -4.5665 -4.5665 -1.5596 -1.5596 -1.5411 -1.5411 -0.0621 -0.0621 -0.0551 -0.0551 0.1644 0.1644 0.1909 0.1909 1.2485 1.2485 1.2603 1.2603 2.2464 2.2464 2.2509 2.2509 3.2076 3.2076 3.2127 3.2127 3.8631 3.8631 3.8635 3.8635 4.0902 4.0902 4.0977 4.0977 8.9688 8.9688 8.9729 8.9729 9.3606 9.3606 9.3738 9.3738 11.5218 11.5218 k = 0.0636 0.1030 0.5359 ( 4934 PWs) bands (ev): -12.9926 -12.9926 -12.9921 -12.9921 -10.7536 -10.7536 -10.7528 -10.7528 -9.8662 -9.8662 -9.8637 -9.8637 -4.6057 -4.6057 -4.6054 -4.6054 -1.5365 -1.5365 -1.5198 -1.5198 -0.0744 -0.0744 -0.0683 -0.0683 0.1664 0.1664 0.1902 0.1902 1.2557 1.2557 1.2661 1.2661 2.2539 2.2539 2.2577 2.2577 3.2194 3.2194 3.2243 3.2243 3.8707 3.8707 3.8711 3.8711 4.0931 4.0931 4.1000 4.1000 8.9535 8.9535 8.9572 8.9572 9.3348 9.3348 9.3465 9.3465 11.5291 11.5291 k = 0.0545 0.0883 0.5359 ( 4934 PWs) bands (ev): -12.9960 -12.9960 -12.9956 -12.9956 -10.7600 -10.7600 -10.7592 -10.7592 -9.8441 -9.8441 -9.8419 -9.8419 -4.6399 -4.6399 -4.6397 -4.6397 -1.5163 -1.5163 -1.5017 -1.5017 -0.0852 -0.0852 -0.0801 -0.0801 0.1687 0.1687 0.1896 0.1896 1.2623 1.2623 1.2712 1.2712 2.2595 2.2595 2.2626 2.2626 3.2312 3.2312 3.2358 3.2358 3.8774 3.8774 3.8778 3.8778 4.0955 4.0955 4.1016 4.1016 8.9395 8.9395 8.9428 8.9428 9.3123 9.3123 9.3224 9.3224 11.5367 11.5367 k = 0.0454 0.0736 0.5359 ( 4938 PWs) bands (ev): -12.9989 -12.9989 -12.9985 -12.9985 -10.7653 -10.7653 -10.7647 -10.7647 -9.8250 -9.8250 -9.8232 -9.8232 -4.6691 -4.6691 -4.6690 -4.6690 -1.4991 -1.4991 -1.4867 -1.4867 -0.0945 -0.0945 -0.0902 -0.0902 0.1713 0.1713 0.1890 0.1890 1.2681 1.2681 1.2756 1.2756 2.2634 2.2634 2.2659 2.2659 3.2425 3.2425 3.2467 3.2467 3.8832 3.8832 3.8835 3.8835 4.0974 4.0974 4.1027 4.1027 8.9271 8.9271 8.9298 8.9298 9.2931 9.2931 9.3016 9.3016 11.5442 11.5442 k = 0.0364 0.0589 0.5359 ( 4942 PWs) bands (ev): -13.0013 -13.0013 -13.0010 -13.0010 -10.7696 -10.7696 -10.7692 -10.7692 -9.8092 -9.8092 -9.8077 -9.8077 -4.6934 -4.6934 -4.6933 -4.6933 -1.4848 -1.4848 -1.4747 -1.4747 -0.1020 -0.1020 -0.0986 -0.0986 0.1740 0.1740 0.1884 0.1884 1.2731 1.2731 1.2791 1.2791 2.2661 2.2661 2.2680 2.2680 3.2528 3.2528 3.2563 3.2563 3.8880 3.8880 3.8883 3.8883 4.0989 4.0989 4.1033 4.1033 8.9165 8.9165 8.9187 8.9187 9.2774 9.2774 9.2843 9.2843 11.5512 11.5512 k = 0.0273 0.0441 0.5359 ( 4938 PWs) bands (ev): -13.0031 -13.0031 -13.0029 -13.0029 -10.7730 -10.7730 -10.7726 -10.7726 -9.7966 -9.7966 -9.7955 -9.7955 -4.7124 -4.7124 -4.7124 -4.7124 -1.4734 -1.4734 -1.4657 -1.4657 -0.1079 -0.1079 -0.1053 -0.1053 0.1766 0.1766 0.1876 0.1876 1.2773 1.2773 1.2818 1.2818 2.2679 2.2679 2.2693 2.2693 3.2615 3.2615 3.2642 3.2642 3.8918 3.8918 3.8920 3.8920 4.1002 4.1002 4.1035 4.1035 8.9080 8.9080 8.9097 8.9097 9.2653 9.2653 9.2705 9.2705 11.5573 11.5574 k = 0.0182 0.0294 0.5359 ( 4940 PWs) bands (ev): -13.0044 -13.0044 -13.0043 -13.0043 -10.7754 -10.7754 -10.7751 -10.7751 -9.7875 -9.7875 -9.7868 -9.7868 -4.7261 -4.7261 -4.7261 -4.7261 -1.4649 -1.4649 -1.4598 -1.4598 -0.1120 -0.1120 -0.1103 -0.1103 0.1791 0.1791 0.1865 0.1865 1.2805 1.2805 1.2835 1.2835 2.2690 2.2690 2.2699 2.2699 3.2681 3.2681 3.2700 3.2700 3.8946 3.8946 3.8947 3.8947 4.1012 4.1012 4.1035 4.1035 8.9019 8.9019 8.9031 8.9031 9.2569 9.2569 9.2603 9.2603 11.5622 11.5622 k = 0.0091 0.0147 0.5359 ( 4936 PWs) bands (ev): -13.0052 -13.0052 -13.0052 -13.0052 -10.7768 -10.7768 -10.7767 -10.7767 -9.7819 -9.7819 -9.7816 -9.7816 -4.7343 -4.7343 -4.7343 -4.7343 -1.4593 -1.4593 -1.4567 -1.4567 -0.1143 -0.1143 -0.1134 -0.1134 0.1814 0.1814 0.1851 0.1851 1.2827 1.2827 1.2842 1.2842 2.2697 2.2697 2.2701 2.2701 3.2725 3.2725 3.2734 3.2734 3.8962 3.8962 3.8963 3.8963 4.1021 4.1021 4.1032 4.1032 8.8983 8.8983 8.8989 8.8989 9.2521 9.2521 9.2539 9.2539 11.5655 11.5662 k = 0.0000 0.0000 0.5359 ( 4944 PWs) bands (ev): -13.0055 -13.0055 -13.0055 -13.0055 -10.7772 -10.7772 -10.7772 -10.7772 -9.7800 -9.7800 -9.7800 -9.7800 -4.7371 -4.7371 -4.7371 -4.7371 -1.4566 -1.4566 -1.4566 -1.4566 -0.1147 -0.1147 -0.1147 -0.1147 0.1834 0.1834 0.1834 0.1834 1.2840 1.2840 1.2840 1.2840 2.2700 2.2700 2.2700 2.2700 3.2743 3.2743 3.2743 3.2743 3.8968 3.8968 3.8968 3.8968 4.1027 4.1027 4.1027 4.1027 8.8973 8.8973 8.8973 8.8973 9.2511 9.2511 9.2511 9.2511 11.5669 11.5669 k = 0.0000 0.0000 0.5359 ( 4944 PWs) bands (ev): -13.0055 -13.0055 -13.0055 -13.0055 -10.7772 -10.7772 -10.7772 -10.7772 -9.7800 -9.7800 -9.7800 -9.7800 -4.7371 -4.7371 -4.7371 -4.7371 -1.4566 -1.4566 -1.4566 -1.4566 -0.1147 -0.1147 -0.1147 -0.1147 0.1834 0.1834 0.1834 0.1834 1.2840 1.2840 1.2840 1.2840 2.2700 2.2700 2.2700 2.2700 3.2743 3.2743 3.2743 3.2743 3.8968 3.8968 3.8968 3.8968 4.1027 4.1027 4.1027 4.1027 8.8973 8.8973 8.8973 8.8973 9.2511 9.2511 9.2511 9.2511 11.5669 11.5669 k = 0.0000 0.0000 0.5186 ( 4937 PWs) bands (ev): -13.0257 -13.0257 -12.9856 -12.9856 -10.8138 -10.8138 -10.7390 -10.7390 -9.7829 -9.7829 -9.7776 -9.7776 -4.7361 -4.7361 -4.7346 -4.7346 -1.5917 -1.5917 -1.3234 -1.3234 -0.1528 -0.1528 -0.0781 -0.0781 0.1414 0.1414 0.2284 0.2284 1.2705 1.2705 1.2911 1.2911 2.2612 2.2612 2.2807 2.2807 3.2652 3.2652 3.2837 3.2837 3.8925 3.8925 3.9011 3.9011 4.0937 4.0937 4.1095 4.1095 8.8679 8.8679 8.9240 8.9240 9.2525 9.2525 9.2613 9.2613 11.5271 11.5271 k = 0.0000 0.0000 0.5013 ( 4927 PWs) bands (ev): -13.0462 -13.0462 -12.9661 -12.9661 -10.8487 -10.8487 -10.6993 -10.6993 -9.7865 -9.7865 -9.7758 -9.7758 -4.7316 -4.7316 -4.7285 -4.7285 -1.7280 -1.7280 -1.1932 -1.1932 -0.1918 -0.1918 -0.0435 -0.0435 0.1036 0.1036 0.2756 0.2756 1.2510 1.2510 1.2916 1.2916 2.2540 2.2540 2.2931 2.2931 3.2565 3.2565 3.2933 3.2933 3.8881 3.8881 3.9051 3.9051 4.0826 4.0826 4.1139 4.1139 8.8355 8.8355 8.9482 8.9482 9.2651 9.2651 9.2828 9.2828 11.4816 11.4816 k = 0.0000 0.0000 0.4840 ( 4933 PWs) bands (ev): -13.0670 -13.0670 -12.9471 -12.9471 -10.8821 -10.8821 -10.6581 -10.6581 -9.7906 -9.7906 -9.7745 -9.7745 -4.7236 -4.7236 -4.7189 -4.7189 -1.8650 -1.8650 -1.0672 -1.0672 -0.2315 -0.2315 -0.0129 -0.0129 0.0723 0.0723 0.3247 0.3247 1.2260 1.2260 1.2854 1.2854 2.2487 2.2487 2.3073 2.3073 3.2484 3.2484 3.3029 3.3029 3.8838 3.8838 3.9089 3.9089 4.0694 4.0694 4.1160 4.1160 8.7999 8.7999 8.9703 8.9703 9.2890 9.2890 9.3156 9.3156 11.4310 11.4310 k = 0.0000 0.0000 0.4667 ( 4945 PWs) bands (ev): -13.0879 -13.0879 -12.9286 -12.9286 -10.9139 -10.9139 -10.6154 -10.6154 -9.7952 -9.7952 -9.7739 -9.7739 -4.7123 -4.7123 -4.7059 -4.7059 -2.0021 -2.0021 -0.9473 -0.9473 -0.2716 -0.2716 0.0064 0.0064 0.0563 0.0563 0.3752 0.3752 1.1962 1.1962 1.2727 1.2727 2.2450 2.2450 2.3233 2.3233 3.2410 3.2410 3.3125 3.3125 3.8796 3.8796 3.9124 3.9124 4.0542 4.0542 4.1157 4.1157 8.7609 8.7609 8.9904 8.9904 9.3237 9.3237 9.3593 9.3593 11.3758 11.3758 k = 0.0000 0.0000 0.4494 ( 4957 PWs) bands (ev): -13.1089 -13.1089 -12.9107 -12.9107 -10.9440 -10.9440 -10.5713 -10.5713 -9.8003 -9.8003 -9.7739 -9.7739 -4.6976 -4.6976 -4.6894 -4.6894 -2.1390 -2.1390 -0.8363 -0.8363 -0.3121 -0.3121 0.0045 0.0045 0.0674 0.0674 0.4268 0.4268 1.1624 1.1624 1.2534 1.2534 2.2429 2.2429 2.3408 2.3408 3.2345 3.2345 3.3219 3.3219 3.8757 3.8757 3.9156 3.9156 4.0374 4.0374 4.1131 4.1131 8.7182 8.7182 9.0089 9.0089 9.3687 9.3687 9.4137 9.4137 11.3167 11.3167 k = 0.0000 0.0000 0.4322 ( 4957 PWs) bands (ev): -13.1298 -13.1298 -12.8934 -12.8934 -10.9727 -10.9727 -10.5258 -10.5258 -9.8058 -9.8058 -9.7743 -9.7743 -4.6798 -4.6798 -4.6695 -4.6695 -2.2752 -2.2752 -0.7381 -0.7381 -0.3527 -0.3527 0.0014 0.0014 0.0885 0.0885 0.4793 0.4793 1.1257 1.1257 1.2279 1.2279 2.2424 2.2424 2.3600 2.3600 3.2291 3.2291 3.3309 3.3309 3.8722 3.8722 3.9186 3.9186 4.0190 4.0190 4.1083 4.1083 8.6718 8.6718 9.0258 9.0258 9.4236 9.4236 9.4783 9.4783 11.2542 11.2542 k = 0.0000 0.0000 0.4149 ( 4957 PWs) bands (ev): -13.1508 -13.1508 -12.8767 -12.8767 -10.9997 -10.9997 -10.4792 -10.4792 -9.8118 -9.8118 -9.7753 -9.7753 -4.6588 -4.6588 -4.6464 -4.6464 -2.4104 -2.4104 -0.6577 -0.6577 -0.3933 -0.3933 0.0123 0.0123 0.1081 0.1081 0.5326 0.5326 1.0872 1.0872 1.1966 1.1966 2.2434 2.2434 2.3806 2.3806 3.2249 3.2249 3.3394 3.3394 3.8692 3.8692 3.9215 3.9215 3.9992 3.9992 4.1012 4.1012 8.6215 8.6215 9.0414 9.0414 9.4877 9.4877 9.5526 9.5526 11.1891 11.1891 k = 0.0000 0.0000 0.3976 ( 4957 PWs) bands (ev): -13.1715 -13.1715 -12.8607 -12.8607 -11.0253 -11.0253 -10.4314 -10.4314 -9.8181 -9.8181 -9.7768 -9.7768 -4.6349 -4.6349 -4.6201 -4.6201 -2.5443 -2.5443 -0.5997 -0.5997 -0.4336 -0.4336 0.0433 0.0433 0.1235 0.1235 0.5863 0.5863 1.0486 1.0486 1.1600 1.1600 2.2458 2.2458 2.4025 2.4025 3.2222 3.2222 3.3473 3.3473 3.8666 3.8666 3.9241 3.9241 3.9785 3.9785 4.0919 4.0919 8.5675 8.5675 9.0558 9.0558 9.5601 9.5601 9.6360 9.6360 11.1217 11.1217 k = 0.0000 0.0000 0.3803 ( 4957 PWs) bands (ev): -13.1921 -13.1921 -12.8454 -12.8454 -11.0494 -11.0494 -10.3826 -10.3826 -9.8247 -9.8247 -9.7787 -9.7787 -4.6082 -4.6082 -4.5908 -4.5908 -2.6764 -2.6764 -0.5660 -0.5660 -0.4732 -0.4732 0.0940 0.0940 0.1348 0.1348 0.6403 0.6403 1.0114 1.0114 1.1185 1.1185 2.2494 2.2494 2.4254 2.4254 3.2212 3.2212 3.3544 3.3544 3.8646 3.8646 3.9266 3.9266 3.9570 3.9570 4.0807 4.0807 8.5097 8.5097 9.0692 9.0692 9.6401 9.6401 9.7277 9.7277 11.0525 11.0525 k = 0.0000 0.0000 0.3630 ( 4957 PWs) bands (ev): -13.2123 -13.2123 -12.8307 -12.8307 -11.0720 -11.0720 -10.3330 -10.3330 -9.8316 -9.8316 -9.7811 -9.7811 -4.5789 -4.5789 -4.5587 -4.5587 -2.8066 -2.8066 -0.5550 -0.5550 -0.5104 -0.5104 0.1259 0.1259 0.1759 0.1759 0.6944 0.6944 0.9775 0.9775 1.0728 1.0728 2.2543 2.2543 2.4491 2.4491 3.2221 3.2221 3.3604 3.3604 3.8631 3.8631 3.9277 3.9277 3.9366 3.9366 4.0677 4.0677 8.4483 8.4483 9.0818 9.0818 9.7264 9.7264 9.8273 9.8273 10.9820 10.9820 k = 0.0000 0.0000 0.3457 ( 4963 PWs) bands (ev): -13.2321 -13.2321 -12.8168 -12.8168 -11.0933 -11.0933 -10.2827 -10.2827 -9.8386 -9.8386 -9.7838 -9.7838 -4.5472 -4.5472 -4.5239 -4.5239 -2.9344 -2.9344 -0.5690 -0.5690 -0.5373 -0.5373 0.1199 0.1199 0.2588 0.2588 0.7484 0.7484 0.9484 0.9484 1.0236 1.0236 2.2602 2.2602 2.4732 2.4732 3.2252 3.2252 3.3652 3.3652 3.8621 3.8621 3.9116 3.9116 3.9333 3.9333 4.0530 4.0530 8.3836 8.3836 9.0937 9.0937 9.8181 9.8181 9.9338 9.9338 10.9104 10.9104 k = 0.0000 0.0000 0.3284 ( 4963 PWs) bands (ev): -13.2515 -13.2515 -12.8036 -12.8036 -11.1132 -11.1132 -10.2320 -10.2320 -9.8458 -9.8458 -9.7868 -9.7868 -4.5133 -4.5133 -4.4866 -4.4866 -3.0595 -3.0595 -0.6028 -0.6028 -0.5538 -0.5538 0.1018 0.1018 0.3514 0.3514 0.8017 0.8017 0.9258 0.9258 0.9716 0.9716 2.2671 2.2671 2.4975 2.4975 3.2308 3.2308 3.3684 3.3684 3.8614 3.8614 3.8903 3.8903 3.9359 3.9359 4.0370 4.0370 8.3158 8.3158 9.1049 9.1049 9.9137 9.9137 10.0467 10.0467 10.8384 10.8384 k = 0.0000 0.0000 0.3112 ( 4967 PWs) bands (ev): -13.2704 -13.2704 -12.7911 -12.7911 -11.1318 -11.1318 -10.1810 -10.1810 -9.8531 -9.8531 -9.7901 -9.7901 -4.4776 -4.4776 -4.4471 -4.4471 -3.1817 -3.1817 -0.6411 -0.6411 -0.5714 -0.5714 0.0731 0.0731 0.4478 0.4478 0.8526 0.8526 0.9107 0.9107 0.9188 0.9188 2.2748 2.2748 2.5214 2.5214 3.2390 3.2390 3.3700 3.3700 3.8593 3.8593 3.8713 3.8713 3.9389 3.9389 4.0198 4.0198 8.2452 8.2452 9.1157 9.1157 10.0115 10.0115 10.1651 10.1651 10.7661 10.7661 k = 0.0000 0.0000 0.2939 ( 4969 PWs) bands (ev): -13.2887 -13.2887 -12.7794 -12.7794 -11.1491 -11.1491 -10.1300 -10.1300 -9.8604 -9.8604 -9.7935 -9.7935 -4.4401 -4.4401 -4.4056 -4.4056 -3.3005 -3.3005 -0.6800 -0.6800 -0.5914 -0.5914 0.0346 0.0346 0.5449 0.5449 0.8580 0.8580 0.8922 0.8922 0.9199 0.9199 2.2831 2.2831 2.5446 2.5446 3.2501 3.2501 3.3695 3.3695 3.8460 3.8460 3.8650 3.8650 3.9422 3.9422 4.0018 4.0018 8.1725 8.1725 9.1261 9.1261 10.1096 10.1096 10.2884 10.2884 10.6940 10.6940 k = 0.0000 0.0000 0.2766 ( 4963 PWs) bands (ev): -13.3063 -13.3063 -12.7683 -12.7683 -11.1652 -11.1652 -10.0792 -10.0792 -9.8676 -9.8676 -9.7972 -9.7972 -4.4014 -4.4014 -4.3625 -4.3625 -3.4156 -3.4156 -0.7190 -0.7190 -0.6128 -0.6128 -0.0126 -0.0126 0.6403 0.6403 0.8039 0.8039 0.8937 0.8937 0.9659 0.9659 2.2920 2.2920 2.5667 2.5667 3.2641 3.2641 3.3669 3.3669 3.8280 3.8280 3.8652 3.8652 3.9457 3.9457 3.9835 3.9835 8.0979 8.0979 9.1362 9.1362 10.2055 10.2055 10.4156 10.4156 10.6226 10.6226 k = 0.0000 0.0000 0.2593 ( 4957 PWs) bands (ev): -13.3231 -13.3231 -12.7580 -12.7580 -11.1801 -11.1801 -10.0289 -10.0289 -9.8747 -9.8747 -9.8009 -9.8009 -4.3615 -4.3615 -4.3180 -4.3180 -3.5267 -3.5267 -0.7576 -0.7576 -0.6347 -0.6347 -0.0668 -0.0668 0.7219 0.7219 0.7593 0.7593 0.8969 0.8969 1.0161 1.0161 2.3013 2.3013 2.5873 2.5873 3.2809 3.2809 3.3619 3.3619 3.8112 3.8112 3.8663 3.8663 3.9493 3.9493 3.9653 3.9653 8.0220 8.0220 9.1461 9.1461 10.2960 10.2960 10.5414 10.5414 10.5570 10.5570 k = 0.0000 0.0000 0.2420 ( 4937 PWs) bands (ev): -13.3392 -13.3392 -12.7485 -12.7485 -11.1938 -11.1938 -9.9795 -9.9795 -9.8816 -9.8816 -9.8046 -9.8046 -4.3211 -4.3211 -4.2725 -4.2725 -3.6334 -3.6334 -0.7958 -0.7958 -0.6565 -0.6565 -0.1264 -0.1264 0.6863 0.6863 0.8281 0.8281 0.9043 0.9043 1.0659 1.0659 2.3109 2.3109 2.6061 2.6061 3.3001 3.3001 3.3546 3.3546 3.7964 3.7964 3.8679 3.8679 3.9465 3.9465 3.9542 3.9542 7.9455 7.9455 9.1558 9.1558 10.3771 10.3771 10.4829 10.4829 10.6800 10.6800 k = 0.0000 0.0000 0.2247 ( 4937 PWs) bands (ev): -13.3544 -13.3544 -12.7396 -12.7396 -11.2064 -11.2064 -9.9314 -9.9314 -9.8880 -9.8880 -9.8084 -9.8084 -4.2803 -4.2803 -4.2264 -4.2264 -3.7353 -3.7353 -0.8334 -0.8334 -0.6777 -0.6777 -0.1896 -0.1896 0.6322 0.6322 0.9007 0.9007 0.9264 0.9264 1.1145 1.1145 2.3205 2.3205 2.6229 2.6229 3.3207 3.3207 3.3455 3.3455 3.7837 3.7837 3.8697 3.8697 3.9303 3.9303 3.9580 3.9580 7.8690 7.8690 9.1654 9.1654 10.4108 10.4108 10.4503 10.4503 10.8147 10.8147 k = 0.0000 0.0000 0.2074 ( 4945 PWs) bands (ev): -13.3687 -13.3687 -12.7315 -12.7315 -11.2179 -11.2179 -9.8970 -9.8970 -9.8821 -9.8821 -9.8119 -9.8119 -4.2396 -4.2396 -4.1802 -4.1802 -3.8319 -3.8319 -0.8703 -0.8703 -0.6980 -0.6980 -0.2548 -0.2548 0.5791 0.5791 0.9202 0.9202 0.9995 0.9995 1.1617 1.1617 2.3300 2.3300 2.6375 2.6375 3.3294 3.3294 3.3473 3.3473 3.7733 3.7733 3.8717 3.8717 3.9155 3.9155 3.9622 3.9622 7.7931 7.7931 9.1750 9.1750 10.3479 10.3479 10.4996 10.4996 10.9503 10.9503 k = 0.0000 0.0000 0.1902 ( 4949 PWs) bands (ev): -13.3820 -13.3820 -12.7240 -12.7240 -11.2284 -11.2284 -9.9017 -9.9017 -9.8392 -9.8392 -9.8148 -9.8148 -4.1995 -4.1995 -4.1344 -4.1344 -3.9230 -3.9230 -0.9062 -0.9062 -0.7173 -0.7173 -0.3205 -0.3205 0.5281 0.5281 0.9332 0.9332 1.0753 1.0753 1.2071 1.2071 2.3393 2.3393 2.6501 2.6501 3.3170 3.3170 3.3687 3.3687 3.7651 3.7651 3.8738 3.8738 3.9033 3.9033 3.9666 3.9666 7.7186 7.7186 9.1846 9.1846 10.2853 10.2853 10.5329 10.5329 11.0860 11.0860 k = 0.0000 0.0000 0.1729 ( 4947 PWs) bands (ev): -13.3944 -13.3944 -12.7173 -12.7173 -11.2379 -11.2379 -9.9073 -9.9073 -9.8204 -9.8204 -9.7942 -9.7942 -4.1604 -4.1604 -4.0896 -4.0896 -4.0079 -4.0079 -0.9408 -0.9408 -0.7352 -0.7352 -0.3856 -0.3856 0.4800 0.4800 0.9461 0.9461 1.1460 1.1460 1.2505 1.2505 2.3483 2.3483 2.6606 2.6606 3.3018 3.3018 3.3903 3.3903 3.7589 3.7589 3.8759 3.8759 3.8945 3.8945 3.9710 3.9710 7.6463 7.6463 9.1942 9.1942 10.2255 10.2255 10.5493 10.5493 11.2207 11.2207 k = 0.0000 0.0000 0.1556 ( 4947 PWs) bands (ev): -13.4057 -13.4057 -12.7112 -12.7112 -11.2464 -11.2464 -9.9126 -9.9126 -9.8231 -9.8231 -9.7544 -9.7544 -4.1230 -4.1230 -4.0869 -4.0869 -4.0454 -4.0454 -0.9740 -0.9740 -0.7518 -0.7518 -0.4486 -0.4486 0.4351 0.4351 0.9588 0.9588 1.2108 1.2108 1.2918 1.2918 2.3567 2.3567 2.6694 2.6694 3.2856 3.2856 3.4100 3.4100 3.7544 3.7544 3.8780 3.8780 3.8898 3.8898 3.9754 3.9754 7.5769 7.5769 9.2038 9.2038 10.1690 10.1690 10.5517 10.5517 11.3533 11.3533 k = 0.0000 0.0000 0.1383 ( 4947 PWs) bands (ev): -13.4159 -13.4159 -12.7058 -12.7058 -11.2539 -11.2539 -9.9175 -9.9175 -9.8260 -9.8260 -9.7170 -9.7170 -4.1587 -4.1587 -4.0870 -4.0870 -4.0042 -4.0042 -1.0053 -1.0053 -0.7668 -0.7668 -0.5086 -0.5086 0.3941 0.3941 0.9709 0.9709 1.2690 1.2690 1.3309 1.3309 2.3645 2.3645 2.6764 2.6764 3.2690 3.2690 3.4266 3.4266 3.7513 3.7513 3.8798 3.8798 3.8895 3.8895 3.9796 3.9796 7.5114 7.5114 9.2133 9.2133 10.1163 10.1163 10.5445 10.5445 11.4828 11.4828 k = 0.0000 0.0000 0.1210 ( 4963 PWs) bands (ev): -13.4250 -13.4250 -12.7010 -12.7010 -11.2605 -11.2605 -9.9220 -9.9220 -9.8287 -9.8287 -9.6828 -9.6828 -4.2231 -4.2231 -4.0541 -4.0541 -3.9655 -3.9655 -1.0344 -1.0344 -0.7803 -0.7803 -0.5645 -0.5645 0.3571 0.3571 0.9821 0.9821 1.3198 1.3198 1.3679 1.3679 2.3716 2.3716 2.6820 2.6820 3.2526 3.2526 3.4393 3.4393 3.7493 3.7493 3.8816 3.8816 3.8937 3.8937 3.9836 3.9836 7.4507 7.4507 9.2226 9.2226 10.0680 10.0680 10.5315 10.5315 11.6076 11.6076 k = 0.0000 0.0000 0.1037 ( 4963 PWs) bands (ev): -13.4329 -13.4329 -12.6969 -12.6969 -11.2661 -11.2661 -9.9259 -9.9259 -9.8312 -9.8312 -9.6523 -9.6523 -4.2799 -4.2799 -4.0241 -4.0241 -3.9301 -3.9301 -1.0608 -1.0608 -0.7921 -0.7921 -0.6151 -0.6151 0.3245 0.3245 0.9923 0.9923 1.3624 1.3624 1.4031 1.4031 2.3779 2.3779 2.6864 2.6864 3.2371 3.2371 3.4482 3.4482 3.7482 3.7482 3.8832 3.8832 3.9015 3.9015 3.9872 3.9872 7.3956 7.3956 9.2315 9.2315 10.0244 10.0244 10.5157 10.5157 11.7261 11.7261 k = 0.0000 0.0000 0.0864 ( 4959 PWs) bands (ev): -13.4397 -13.4397 -12.6935 -12.6935 -11.2709 -11.2709 -9.9292 -9.9292 -9.8333 -9.8333 -9.6258 -9.6258 -4.3287 -4.3287 -3.9977 -3.9977 -3.8987 -3.8987 -1.0842 -1.0842 -0.8023 -0.8023 -0.6597 -0.6597 0.2966 0.2966 1.0012 1.0012 1.3966 1.3966 1.4359 1.4359 2.3833 2.3833 2.6898 2.6898 3.2230 3.2230 3.4535 3.4535 3.7476 3.7476 3.8847 3.8847 3.9118 3.9118 3.9905 3.9905 7.3471 7.3471 9.2399 9.2399 9.9863 9.9863 10.4995 10.4995 11.8362 11.8362 k = 0.0000 0.0000 0.0691 ( 4955 PWs) bands (ev): -13.4452 -13.4452 -12.6906 -12.6906 -11.2747 -11.2747 -9.9320 -9.9320 -9.8351 -9.8351 -9.6036 -9.6036 -4.3692 -4.3692 -3.9753 -3.9753 -3.8719 -3.8719 -1.1040 -1.1040 -0.8108 -0.8108 -0.6974 -0.6974 0.2735 0.2735 1.0087 1.0087 1.4232 1.4232 1.4651 1.4651 2.3878 2.3878 2.6922 2.6922 3.2107 3.2107 3.4562 3.4562 3.7474 3.7474 3.8859 3.8859 3.9230 3.9230 3.9932 3.9932 7.3060 7.3060 9.2475 9.2475 9.9540 9.9540 10.4845 10.4845 11.9349 11.9349 k = 0.0000 0.0000 0.0519 ( 4957 PWs) bands (ev): -13.4496 -13.4496 -12.6885 -12.6885 -11.2777 -11.2777 -9.9342 -9.9342 -9.8365 -9.8365 -9.5860 -9.5860 -4.4009 -4.4009 -3.9574 -3.9574 -3.8504 -3.8504 -1.1200 -1.1200 -0.8175 -0.8175 -0.7274 -0.7274 0.2554 0.2554 1.0147 1.0147 1.4433 1.4433 1.4890 1.4890 2.3913 2.3913 2.6940 2.6940 3.2008 3.2008 3.4571 3.4571 3.7475 3.7475 3.8869 3.8869 3.9337 3.9337 3.9955 3.9955 7.2731 7.2731 9.2538 9.2538 9.9281 9.9281 10.4719 10.4719 12.0188 12.0188 k = 0.0000 0.0000 0.0346 ( 4947 PWs) bands (ev): -13.4527 -13.4527 -12.6869 -12.6869 -11.2799 -11.2799 -9.9358 -9.9358 -9.8375 -9.8375 -9.5733 -9.5733 -4.4238 -4.4238 -3.9443 -3.9443 -3.8346 -3.8346 -1.1316 -1.1316 -0.8225 -0.8225 -0.7491 -0.7491 0.2424 0.2424 1.0190 1.0190 1.4575 1.4575 1.5066 1.5066 2.3938 2.3938 2.6952 2.6952 3.1934 3.1934 3.4572 3.4572 3.7476 3.7476 3.8877 3.8877 3.9424 3.9424 3.9971 3.9971 7.2491 7.2491 9.2587 9.2587 9.9092 9.9092 10.4623 10.4623 12.0833 12.0833 k = 0.0000 0.0000 0.0173 ( 4949 PWs) bands (ev): -13.4546 -13.4546 -12.6860 -12.6860 -11.2811 -11.2811 -9.9367 -9.9367 -9.8381 -9.8381 -9.5656 -9.5656 -4.4376 -4.4376 -3.9364 -3.9364 -3.8250 -3.8250 -1.1387 -1.1387 -0.8256 -0.8256 -0.7622 -0.7622 0.2346 0.2346 1.0216 1.0216 1.4660 1.4660 1.5173 1.5173 2.3953 2.3953 2.6959 2.6959 3.1888 3.1888 3.4569 3.4569 3.7477 3.7477 3.8881 3.8881 3.9481 3.9481 3.9981 3.9981 7.2344 7.2344 9.2618 9.2618 9.8977 9.8977 10.4564 10.4564 12.1239 12.1239 k = 0.0000 0.0000 0.0000 ( 4949 PWs) bands (ev): -13.4552 -13.4552 -12.6856 -12.6856 -11.2816 -11.2816 -9.9370 -9.9370 -9.8383 -9.8383 -9.5630 -9.5630 -4.4422 -4.4422 -3.9337 -3.9337 -3.8218 -3.8218 -1.1411 -1.1411 -0.8267 -0.8267 -0.7665 -0.7665 0.2320 0.2320 1.0224 1.0224 1.4688 1.4688 1.5209 1.5209 2.3958 2.3958 2.6961 2.6961 3.1873 3.1873 3.4567 3.4567 3.7477 3.7477 3.8883 3.8883 3.9501 3.9501 3.9984 3.9984 7.2295 7.2295 9.2628 9.2628 9.8938 9.8938 10.4544 10.4544 12.1377 12.1377 k = 0.0000 0.0000 0.0000 ( 4949 PWs) bands (ev): -13.4552 -13.4552 -12.6856 -12.6856 -11.2816 -11.2816 -9.9370 -9.9370 -9.8383 -9.8383 -9.5630 -9.5630 -4.4422 -4.4422 -3.9337 -3.9337 -3.8218 -3.8218 -1.1411 -1.1411 -0.8267 -0.8267 -0.7665 -0.7665 0.2320 0.2320 1.0224 1.0224 1.4688 1.4688 1.5209 1.5209 2.3958 2.3958 2.6961 2.6961 3.1873 3.1873 3.4567 3.4567 3.7477 3.7477 3.8883 3.8883 3.9501 3.9501 3.9984 3.9984 7.2295 7.2295 9.2628 9.2628 9.8938 9.8938 10.4544 10.4544 12.1377 12.1377 k =-0.0147 0.0091 0.0000 ( 4947 PWs) bands (ev): -13.4544 -13.4544 -12.6858 -12.6856 -11.2833 -11.2832 -9.9371 -9.9368 -9.8386 -9.8380 -9.5635 -9.5623 -4.4437 -4.4433 -3.9320 -3.9315 -3.8203 -3.8191 -1.1424 -1.1407 -0.8256 -0.8248 -0.7680 -0.7663 0.2310 0.2315 1.0166 1.0201 1.4702 1.4704 1.5215 1.5223 2.3963 2.3980 2.6937 2.6952 3.1888 3.1889 3.4569 3.4570 3.7475 3.7476 3.8826 3.8847 3.9503 3.9519 3.9972 3.9974 7.2338 7.2340 9.2613 9.2648 9.8954 9.8955 10.4548 10.4573 12.1153 12.1346 k =-0.0294 0.0182 0.0000 ( 4955 PWs) bands (ev): -13.4521 -13.4520 -12.6860 -12.6857 -11.2883 -11.2881 -9.9370 -9.9364 -9.8389 -9.8377 -9.5638 -9.5614 -4.4476 -4.4468 -3.9264 -3.9253 -3.8145 -3.8121 -1.1443 -1.1410 -0.8216 -0.8199 -0.7707 -0.7672 0.2285 0.2295 1.0027 1.0096 1.4744 1.4749 1.5241 1.5256 2.3995 2.4028 2.6881 2.6911 3.1934 3.1937 3.4574 3.4577 3.7470 3.7471 3.8685 3.8721 3.9524 3.9550 3.9938 3.9942 7.2467 7.2473 9.2601 9.2672 9.9004 9.9006 10.4586 10.4635 12.0765 12.1041 k =-0.0441 0.0272 0.0000 ( 4957 PWs) bands (ev): -13.4482 -13.4481 -12.6863 -12.6859 -11.2967 -11.2964 -9.9367 -9.9359 -9.8391 -9.8374 -9.5638 -9.5603 -4.4538 -4.4527 -3.9169 -3.9152 -3.8047 -3.8012 -1.1470 -1.1420 -0.8148 -0.8124 -0.7744 -0.7691 0.2245 0.2260 0.9813 0.9915 1.4812 1.4822 1.5287 1.5309 2.4051 2.4099 2.6792 2.6836 3.2011 3.2015 3.4584 3.4588 3.7462 3.7464 3.8469 3.8513 3.9558 3.9588 3.9881 3.9887 7.2681 7.2689 9.2595 9.2700 9.9087 9.9089 10.4655 10.4727 12.0278 12.0573 k =-0.0588 0.0363 0.0000 ( 4965 PWs) bands (ev): -13.4427 -13.4427 -12.6868 -12.6862 -11.3082 -11.3078 -9.9363 -9.9352 -9.8393 -9.8370 -9.5637 -9.5591 -4.4619 -4.4606 -3.9035 -3.9013 -3.7912 -3.7867 -1.1503 -1.1438 -0.8062 -0.8032 -0.7779 -0.7710 0.2191 0.2210 0.9530 0.9663 1.4905 1.4920 1.5354 1.5380 2.4126 2.4186 2.6669 2.6727 3.2119 3.2123 3.4598 3.4603 3.7450 3.7455 3.8186 3.8235 3.9600 3.9632 3.9804 3.9813 7.2974 7.2985 9.2595 9.2732 9.9205 9.9207 10.4753 10.4846 11.9724 12.0014 k =-0.0735 0.0454 0.0000 ( 4969 PWs) bands (ev): -13.4357 -13.4356 -12.6873 -12.6866 -11.3229 -11.3224 -9.9358 -9.9344 -9.8394 -9.8365 -9.5634 -9.5577 -4.4717 -4.4702 -3.8864 -3.8836 -3.7742 -3.7688 -1.1542 -1.1462 -0.7986 -0.7976 -0.7763 -0.7703 0.2123 0.2146 0.9186 0.9348 1.5017 1.5042 1.5442 1.5470 2.4215 2.4284 2.6511 2.6584 3.2256 3.2260 3.4615 3.4622 3.7430 3.7442 3.7848 3.7894 3.9647 3.9682 3.9708 3.9721 7.3341 7.3354 9.2601 9.2769 9.9358 9.9360 10.4877 10.4988 11.9122 11.9397 k =-0.0882 0.0545 0.0000 ( 4971 PWs) bands (ev): -13.4271 -13.4271 -12.6879 -12.6871 -11.3406 -11.3400 -9.9351 -9.9336 -9.8394 -9.8360 -9.5630 -9.5563 -4.4828 -4.4812 -3.8657 -3.8623 -3.7543 -3.7479 -1.1585 -1.1493 -0.8013 -0.7974 -0.7635 -0.7613 0.2041 0.2069 0.8788 0.8978 1.5146 1.5185 1.5552 1.5578 2.4312 2.4387 2.6316 2.6404 3.2419 3.2422 3.4636 3.4645 3.7338 3.7404 3.7526 3.7530 3.9593 3.9599 3.9713 3.9739 7.3774 7.3789 9.2615 9.2812 9.9547 9.9547 10.5020 10.5149 11.8484 11.8739 k =-0.1029 0.0636 0.0000 ( 4973 PWs) bands (ev): -13.4170 -13.4170 -12.6886 -12.6877 -11.3612 -11.3606 -9.9344 -9.9327 -9.8392 -9.8353 -9.5625 -9.5549 -4.4948 -4.4931 -3.8414 -3.8376 -3.7316 -3.7245 -1.1633 -1.1528 -0.8094 -0.8022 -0.7447 -0.7446 0.1947 0.1978 0.8346 0.8560 1.5287 1.5344 1.5687 1.5706 2.4409 2.4488 2.6084 2.6186 3.2605 3.2607 3.4659 3.4672 3.6958 3.7037 3.7441 3.7455 3.9464 3.9473 3.9776 3.9803 7.4266 7.4283 9.2638 9.2861 9.9769 9.9771 10.5179 10.5322 11.7819 11.8053 k =-0.1176 0.0727 0.0000 ( 4969 PWs) bands (ev): -13.4054 -13.4053 -12.6894 -12.6883 -11.3846 -11.3839 -9.9337 -9.9317 -9.8388 -9.8345 -9.5621 -9.5535 -4.5075 -4.5058 -3.8139 -3.8094 -3.7067 -3.6989 -1.1683 -1.1567 -0.8193 -0.8101 -0.7232 -0.7225 0.1840 0.1875 0.7865 0.8101 1.5436 1.5518 1.5847 1.5854 2.4503 2.4582 2.5814 2.5929 3.2809 3.2809 3.4685 3.4701 3.6485 3.6559 3.7432 3.7441 3.9322 3.9334 3.9846 3.9873 7.4809 7.4828 9.2670 9.2918 10.0026 10.0030 10.5347 10.5503 11.7137 11.7349 k =-0.1324 0.0817 0.0000 ( 4969 PWs) bands (ev): -13.3923 -13.3922 -12.6902 -12.6891 -11.4105 -11.4098 -9.9329 -9.9308 -9.8382 -9.8334 -9.5617 -9.5523 -4.5205 -4.5189 -3.7831 -3.7782 -3.6798 -3.6714 -1.1736 -1.1610 -0.8304 -0.8195 -0.6984 -0.6974 0.1722 0.1760 0.7353 0.7609 1.5589 1.5699 1.6026 1.6034 2.4588 2.4664 2.5505 2.5632 3.3022 3.3024 3.4711 3.4733 3.5982 3.6052 3.7429 3.7436 3.9175 3.9187 3.9924 3.9950 7.5395 7.5415 9.2714 9.2983 10.0317 10.0324 10.5520 10.5685 11.6444 11.6634 k =-0.1471 0.0908 0.0000 ( 4977 PWs) bands (ev): -13.3778 -13.3777 -12.6912 -12.6899 -11.4390 -11.4382 -9.9321 -9.9299 -9.8373 -9.8321 -9.5614 -9.5512 -4.5336 -4.5321 -3.7494 -3.7439 -3.6513 -3.6423 -1.1790 -1.1654 -0.8425 -0.8302 -0.6709 -0.6697 0.1593 0.1633 0.6816 0.7089 1.5745 1.5882 1.6223 1.6246 2.4662 2.4726 2.5164 2.5296 3.3237 3.3241 3.4730 3.4768 3.5468 3.5525 3.7431 3.7435 3.9028 3.9042 4.0008 4.0033 7.6017 7.6038 9.2769 9.3057 10.0641 10.0651 10.5690 10.5863 11.5746 11.5916 k =-0.1618 0.0999 0.0000 ( 4975 PWs) bands (ev): -13.3617 -13.3616 -12.6922 -12.6909 -11.4696 -11.4688 -9.9313 -9.9290 -9.8361 -9.8304 -9.5613 -9.5504 -4.5466 -4.5452 -3.7129 -3.7070 -3.6214 -3.6120 -1.1844 -1.1699 -0.8553 -0.8418 -0.6408 -0.6396 0.1454 0.1497 0.6258 0.6548 1.5901 1.6064 1.6448 1.6483 2.4678 2.4721 2.4878 2.4922 3.3445 3.3451 3.4684 3.4796 3.4995 3.5012 3.7432 3.7434 3.8895 3.8909 4.0097 4.0122 7.6667 7.6689 9.2838 9.3143 10.0994 10.1009 10.5855 10.6033 11.5051 11.5201 k =-0.1765 0.1090 0.0000 ( 4973 PWs) bands (ev): -13.3443 -13.3442 -12.6932 -12.6918 -11.5024 -11.5016 -9.9306 -9.9282 -9.8345 -9.8284 -9.5614 -9.5498 -4.5594 -4.5580 -3.6739 -3.6676 -3.5905 -3.5807 -1.1897 -1.1744 -0.8688 -0.8542 -0.6083 -0.6074 0.1306 0.1351 0.5686 0.5990 1.6057 1.6243 1.6697 1.6741 2.4301 2.4499 2.4777 2.4868 3.3636 3.3639 3.4307 3.4434 3.4855 3.4889 3.7421 3.7422 3.8794 3.8808 4.0191 4.0216 7.7339 7.7362 9.2920 9.3240 10.1375 10.1395 10.6009 10.6190 11.4362 11.4494 k =-0.1912 0.1181 0.0000 ( 4967 PWs) bands (ev): -13.3254 -13.3253 -12.6943 -12.6928 -11.5371 -11.5363 -9.9300 -9.9275 -9.8326 -9.8261 -9.5619 -9.5497 -4.5717 -4.5705 -3.6327 -3.6260 -3.5586 -3.5485 -1.1948 -1.1787 -0.8827 -0.8671 -0.5739 -0.5731 0.1150 0.1197 0.5104 0.5420 1.6211 1.6418 1.6968 1.7018 2.3842 2.4051 2.4809 2.4890 3.3711 3.3799 3.3882 3.3896 3.4893 3.4906 3.7381 3.7382 3.8749 3.8762 4.0289 4.0313 7.8026 7.8049 9.3017 9.3350 10.1779 10.1806 10.6150 10.6331 11.3684 11.3801 k =-0.2059 0.1271 0.0000 ( 4965 PWs) bands (ev): -13.3052 -13.3051 -12.6954 -12.6939 -11.5735 -11.5727 -9.9294 -9.9269 -9.8302 -9.8234 -9.5627 -9.5499 -4.5836 -4.5824 -3.5896 -3.5825 -3.5261 -3.5158 -1.1995 -1.1827 -0.8969 -0.8805 -0.5375 -0.5371 0.0985 0.1035 0.4516 0.4842 1.6360 1.6586 1.7258 1.7312 2.3347 2.3570 2.4829 2.4904 3.3239 3.3362 3.3928 3.3956 3.4934 3.4941 3.7295 3.7298 3.8783 3.8795 4.0390 4.0414 7.8722 7.8746 9.3131 9.3473 10.2198 10.2235 10.6278 10.6456 11.3022 11.3125 k =-0.2206 0.1362 0.0000 ( 4965 PWs) bands (ev): -13.2837 -13.2836 -12.6965 -12.6950 -11.6114 -11.6106 -9.9289 -9.9264 -9.8274 -9.8202 -9.5639 -9.5506 -4.5948 -4.5938 -3.5448 -3.5374 -3.4932 -3.4828 -1.2038 -1.1864 -0.9113 -0.8941 -0.4996 -0.4995 0.0814 0.0866 0.3926 0.4259 1.6501 1.6747 1.7563 1.7620 2.2826 2.3066 2.4837 2.4907 3.2721 3.2838 3.4017 3.4042 3.4977 3.4980 3.7160 3.7165 3.8901 3.8913 4.0493 4.0516 7.9422 7.9446 9.3260 9.3612 10.2624 10.2673 10.6397 10.6567 11.2379 11.2471 k =-0.2353 0.1453 0.0000 ( 4963 PWs) bands (ev): -13.2609 -13.2608 -12.6977 -12.6962 -11.6507 -11.6499 -9.9285 -9.9260 -9.8242 -9.8166 -9.5655 -9.5518 -4.6053 -4.6044 -3.4987 -3.4911 -3.4599 -3.4496 -1.2076 -1.1895 -0.9256 -0.9079 -0.4608 -0.4602 0.0636 0.0691 0.3337 0.3677 1.6628 1.6894 1.7880 1.7941 2.2290 2.2547 2.4833 2.4899 3.2211 3.2325 3.4066 3.4091 3.5021 3.5022 3.6986 3.6993 3.9093 3.9104 4.0598 4.0620 8.0121 8.0146 9.3407 9.3766 10.3041 10.3108 10.6514 10.6672 11.1759 11.1840 k =-0.2500 0.1544 0.0000 ( 4963 PWs) bands (ev): -13.2369 -13.2367 -12.6989 -12.6973 -11.6911 -11.6904 -9.9281 -9.9258 -9.8205 -9.8125 -9.5675 -9.5535 -4.6151 -4.6144 -3.4517 -3.4444 -3.4262 -3.4164 -1.2107 -1.1921 -0.9398 -0.9217 -0.4211 -0.4199 0.0453 0.0512 0.2754 0.3097 1.6734 1.7021 1.8206 1.8272 2.1754 2.2027 2.4819 2.4881 3.1713 3.1826 3.4077 3.4101 3.5064 3.5064 3.6786 3.6793 3.9343 3.9354 4.0703 4.0725 8.0815 8.0840 9.3571 9.3936 10.3428 10.3519 10.6647 10.6785 11.1163 11.1236 k =-0.2647 0.1635 0.0000 ( 4957 PWs) bands (ev): -13.2117 -13.2116 -12.7000 -12.6985 -11.7325 -11.7318 -9.9279 -9.9256 -9.8163 -9.8080 -9.5700 -9.5557 -4.6242 -4.6236 -3.4041 -3.3998 -3.3899 -3.3834 -1.2130 -1.1940 -0.9538 -0.9353 -0.3808 -0.3789 0.0266 0.0330 0.2179 0.2524 1.6808 1.7115 1.8539 1.8611 2.1234 2.1521 2.4797 2.4855 3.1229 3.1341 3.4055 3.4078 3.5106 3.5107 3.6569 3.6577 3.9634 3.9645 4.0807 4.0828 8.1498 8.1523 9.3754 9.4124 10.3755 10.3880 10.6820 10.6930 11.0594 11.0660 k =-0.2794 0.1725 0.0000 ( 4953 PWs) bands (ev): -13.1855 -13.1853 -12.7012 -12.6997 -11.7746 -11.7739 -9.9278 -9.9255 -9.8117 -9.8031 -9.5731 -9.5585 -4.6325 -4.6320 -3.3637 -3.3572 -3.3500 -3.3454 -1.2145 -1.1950 -0.9672 -0.9486 -0.3405 -0.3376 0.0076 0.0148 0.1617 0.1960 1.6837 1.7158 1.8872 1.8956 2.0760 2.1051 2.4765 2.4821 3.0759 3.0870 3.4003 3.4025 3.5148 3.5149 3.6345 3.6352 3.9953 3.9963 4.0909 4.0930 8.2168 8.2193 9.3956 9.4330 10.3990 10.4153 10.7063 10.7138 11.0054 11.0116 k =-0.2941 0.1816 0.0000 ( 4949 PWs) bands (ev): -13.1582 -13.1581 -12.7023 -12.7009 -11.8172 -11.8166 -9.9277 -9.9256 -9.8066 -9.7977 -9.5766 -9.5619 -4.6401 -4.6397 -3.3311 -3.3204 -3.3073 -3.2982 -1.2150 -1.1952 -0.9800 -0.9615 -0.3006 -0.2967 -0.0114 -0.0032 0.1070 0.1409 1.6801 1.7124 1.9195 1.9302 2.0372 2.0642 2.4727 2.4780 3.0303 3.0412 3.3927 3.3948 3.5189 3.5189 3.6117 3.6125 4.0288 4.0298 4.1010 4.1029 8.2819 8.2844 9.4178 9.4554 10.4108 10.4310 10.7397 10.7437 10.9545 10.9604 k =-0.3088 0.1907 0.0000 ( 4953 PWs) bands (ev): -13.1301 -13.1300 -12.7034 -12.7020 -11.8602 -11.8596 -9.9277 -9.9257 -9.8011 -9.7919 -9.5806 -9.5657 -4.6470 -4.6466 -3.2997 -3.2892 -3.2605 -3.2512 -1.2145 -1.1945 -0.9922 -0.9739 -0.2622 -0.2568 -0.0299 -0.0203 0.0542 0.0874 1.6684 1.6989 1.9472 1.9642 2.0134 2.0323 2.4683 2.4734 2.9862 2.9969 3.3832 3.3852 3.5228 3.5229 3.5891 3.5899 4.0629 4.0638 4.1107 4.1125 8.3449 8.3474 9.4419 9.4797 10.4107 10.4340 10.7822 10.7832 10.9069 10.9129 k =-0.3235 0.1998 0.0000 ( 4967 PWs) bands (ev): -13.1013 -13.1011 -12.7045 -12.7031 -11.9032 -11.9027 -9.9278 -9.9259 -9.7951 -9.7856 -9.5850 -9.5702 -4.6531 -4.6528 -3.2695 -3.2594 -3.2144 -3.2052 -1.2129 -1.1928 -1.0034 -0.9856 -0.2267 -0.2196 -0.0469 -0.0354 0.0039 0.0359 1.6476 1.6740 1.9601 1.9910 2.0166 2.0175 2.4633 2.4682 2.9436 2.9541 3.3723 3.3742 3.5266 3.5266 3.5669 3.5678 4.0968 4.0975 4.1203 4.1218 8.4054 8.4078 9.4680 9.5060 10.4001 10.4257 10.8281 10.8313 10.8637 10.8720 k =-0.3382 0.2089 0.0000 ( 4967 PWs) bands (ev): -13.0718 -13.0717 -12.7055 -12.7042 -11.9461 -11.9456 -9.9279 -9.9261 -9.7888 -9.7791 -9.5899 -9.5751 -4.6585 -4.6583 -3.2406 -3.2309 -3.1697 -3.1607 -1.2103 -1.1902 -1.0136 -0.9965 -0.1970 -0.1880 -0.0598 -0.0466 -0.0434 -0.0126 1.6184 1.6396 1.9614 1.9891 2.0408 2.0419 2.4577 2.4625 2.9026 2.9128 3.3604 3.3622 3.5299 3.5303 3.5455 3.5466 4.1257 4.1277 4.1328 4.1341 8.4630 8.4653 9.4962 9.5342 10.3808 10.4081 10.8199 10.8217 10.8901 10.8920 k =-0.3529 0.2180 0.0000 ( 4963 PWs) bands (ev): -13.0419 -13.0418 -12.7064 -12.7052 -11.9885 -11.9880 -9.9280 -9.9264 -9.7821 -9.7722 -9.5952 -9.5806 -4.6633 -4.6631 -3.2131 -3.2040 -3.1270 -3.1182 -1.2067 -1.1868 -1.0228 -1.0066 -0.1774 -0.1692 -0.0867 -0.0646 -0.0622 -0.0428 1.5832 1.5991 1.9644 1.9850 2.0731 2.0737 2.4517 2.4564 2.8634 2.8733 3.3479 3.3495 3.5247 3.5250 3.5337 3.5348 4.1360 4.1379 4.1626 4.1639 8.5173 8.5196 9.5264 9.5644 10.3548 10.3832 10.7825 10.7855 10.9497 10.9497 k =-0.3676 0.2270 0.0000 ( 4955 PWs) bands (ev): -13.0119 -13.0118 -12.7073 -12.7062 -12.0301 -12.0297 -9.9282 -9.9267 -9.7752 -9.7651 -9.6009 -9.5864 -4.6674 -4.6673 -3.1873 -3.1788 -3.0865 -3.0781 -1.2021 -1.1826 -1.0308 -1.0157 -0.1719 -0.1711 -0.1236 -0.1061 -0.0489 -0.0341 1.5445 1.5560 1.9708 1.9858 2.1053 2.1070 2.4451 2.4498 2.8262 2.8356 3.3352 3.3366 3.5058 3.5060 3.5369 3.5373 4.1438 4.1455 4.1926 4.1938 8.5680 8.5702 9.5586 9.5966 10.3233 10.3528 10.7482 10.7514 11.0115 11.0121 k =-0.3824 0.2361 0.0000 ( 4963 PWs) bands (ev): -12.9820 -12.9819 -12.7081 -12.7071 -12.0706 -12.0702 -9.9284 -9.9271 -9.7680 -9.7579 -9.6068 -9.5927 -4.6710 -4.6709 -3.1634 -3.1556 -3.0489 -3.0410 -1.1967 -1.1778 -1.0375 -1.0238 -0.1916 -0.1785 -0.1512 -0.1457 -0.0244 -0.0138 1.5050 1.5130 1.9794 1.9901 2.1371 2.1394 2.4381 2.4427 2.7913 2.8001 3.3225 3.3237 3.4879 3.4882 3.5398 3.5401 4.1508 4.1523 4.2205 4.2216 8.6148 8.6168 9.5929 9.6308 10.2876 10.3178 10.7174 10.7204 11.0752 11.0760 k =-0.3971 0.2452 0.0000 ( 4953 PWs) bands (ev): -12.9527 -12.9526 -12.7088 -12.7079 -12.1094 -12.1091 -9.9286 -9.9274 -9.7607 -9.7506 -9.6128 -9.5992 -4.6740 -4.6739 -3.1416 -3.1346 -3.0144 -3.0071 -1.1908 -1.1728 -1.0431 -1.0309 -0.2201 -0.1952 -0.1780 -0.1722 0.0034 0.0110 1.4667 1.4720 1.9891 1.9966 2.1679 2.1707 2.4304 2.4350 2.7590 2.7672 3.3102 3.3113 3.4717 3.4719 3.5424 3.5426 4.1570 4.1583 4.2459 4.2469 8.6572 8.6591 9.6292 9.6669 10.2483 10.2794 10.6900 10.6929 11.1396 11.1405 k =-0.4118 0.2543 0.0000 ( 4951 PWs) bands (ev): -12.9244 -12.9243 -12.7094 -12.7086 -12.1460 -12.1457 -9.9288 -9.9278 -9.7533 -9.7434 -9.6189 -9.6059 -4.6765 -4.6765 -3.1222 -3.1160 -2.9835 -2.9770 -1.1844 -1.1677 -1.0474 -1.0370 -0.2484 -0.2230 -0.1976 -0.1904 0.0306 0.0361 1.4309 1.4344 1.9991 2.0042 2.1973 2.2005 2.4222 2.4268 2.7297 2.7371 3.2988 3.2997 3.4572 3.4574 3.5447 3.5449 4.1625 4.1636 4.2685 4.2693 8.6949 8.6966 9.6673 9.7048 10.2064 10.2382 10.6662 10.6688 11.2040 11.2048 k =-0.4265 0.2634 0.0000 ( 4941 PWs) bands (ev): -12.8978 -12.8977 -12.7099 -12.7092 -12.1797 -12.1795 -9.9289 -9.9281 -9.7460 -9.7366 -9.6248 -9.6127 -4.6786 -4.6786 -3.1052 -3.1000 -2.9566 -2.9510 -1.1780 -1.1629 -1.0505 -1.0420 -0.2736 -0.2514 -0.2126 -0.2069 0.0554 0.0594 1.3990 1.4011 2.0087 2.0120 2.2250 2.2285 2.4132 2.4178 2.7039 2.7104 3.2884 3.2891 3.4446 3.4448 3.5467 3.5469 4.1672 4.1681 4.2880 4.2887 8.7276 8.7291 9.7073 9.7446 10.1624 10.1949 10.6459 10.6482 11.2675 11.2682 k =-0.4412 0.2724 0.0000 ( 4954 PWs) bands (ev): -12.8737 -12.8737 -12.7103 -12.7098 -12.2097 -12.2095 -9.9291 -9.9284 -9.7390 -9.7303 -9.6301 -9.6193 -4.6802 -4.6802 -3.0910 -3.0867 -2.9340 -2.9294 -1.1717 -1.1588 -1.0526 -1.0460 -0.2945 -0.2763 -0.2257 -0.2214 0.0769 0.0797 1.3718 1.3730 2.0173 2.0194 2.2507 2.2544 2.4035 2.4080 2.6820 2.6874 3.2793 3.2799 3.4342 3.4343 3.5484 3.5485 4.1711 4.1718 4.3042 4.3048 8.7548 8.7561 9.7490 9.7859 10.1169 10.1500 10.6293 10.6312 11.3295 11.3301 k =-0.4559 0.2815 0.0000 ( 4958 PWs) bands (ev): -12.8532 -12.8532 -12.7107 -12.7102 -12.2348 -12.2346 -9.9292 -9.9286 -9.7325 -9.7251 -9.6346 -9.6256 -4.6815 -4.6815 -3.0796 -3.0763 -2.9160 -2.9124 -1.1660 -1.1557 -1.0539 -1.0490 -0.3107 -0.2967 -0.2365 -0.2335 0.0943 0.0962 1.3499 1.3505 2.0246 2.0258 2.2739 2.2777 2.3932 2.3975 2.6645 2.6687 3.2720 3.2724 3.4259 3.4260 3.5497 3.5498 4.1741 4.1747 4.3170 4.3175 8.7764 8.7774 9.7921 9.8287 10.0703 10.1041 10.6164 10.6178 11.3894 11.3899 k =-0.4706 0.2906 0.0000 ( 4958 PWs) bands (ev): -12.8374 -12.8374 -12.7109 -12.7106 -12.2539 -12.2538 -9.9292 -9.9289 -9.7269 -9.7213 -9.6378 -9.6312 -4.6824 -4.6823 -3.0712 -3.0690 -2.9028 -2.9003 -1.1611 -1.1540 -1.0544 -1.0512 -0.3217 -0.3123 -0.2445 -0.2426 0.1071 0.1083 1.3340 1.3342 2.0300 2.0307 2.2942 2.2976 2.3828 2.3866 2.6519 2.6548 3.2665 3.2668 3.4199 3.4200 3.5506 3.5507 4.1763 4.1767 4.3263 4.3266 8.7921 8.7928 9.8366 9.8728 10.0233 10.0575 10.6072 10.6082 11.4466 11.4470 k =-0.4853 0.2997 0.0000 ( 4956 PWs) bands (ev): -12.8273 -12.8273 -12.7110 -12.7108 -12.2660 -12.2659 -9.9292 -9.9290 -9.7225 -9.7195 -9.6391 -9.6356 -4.6829 -4.6829 -3.0659 -3.0648 -2.8945 -2.8933 -1.1573 -1.1536 -1.0543 -1.0528 -0.3274 -0.3227 -0.2493 -0.2484 0.1150 0.1156 1.3242 1.3243 2.0335 2.0337 2.3099 2.3123 2.3739 2.3766 2.6444 2.6459 3.2632 3.2634 3.4163 3.4164 3.5512 3.5512 4.1777 4.1779 4.3319 4.3321 8.8017 8.8020 9.8822 9.9178 9.9762 10.0109 10.6018 10.6023 11.5001 11.5004 k =-0.5000 0.3088 0.0000 ( 4960 PWs) bands (ev): -12.8238 -12.8238 -12.7109 -12.7109 -12.2701 -12.2701 -9.9291 -9.9291 -9.7199 -9.7199 -9.6384 -9.6384 -4.6830 -4.6830 -3.0638 -3.0638 -2.8913 -2.8913 -1.1548 -1.1548 -1.0538 -1.0538 -0.3277 -0.3277 -0.2507 -0.2507 0.1179 0.1179 1.3210 1.3210 2.0347 2.0347 2.3174 2.3174 2.3709 2.3709 2.6424 2.6424 3.2622 3.2622 3.4151 3.4151 3.5514 3.5514 4.1783 4.1783 4.3339 4.3339 8.8050 8.8050 9.9282 9.9282 9.9648 9.9648 10.6001 10.6001 11.5398 11.5398 k =-0.5000 0.3088 0.0000 ( 4960 PWs) bands (ev): -12.8238 -12.8238 -12.7109 -12.7109 -12.2701 -12.2701 -9.9291 -9.9291 -9.7199 -9.7199 -9.6384 -9.6384 -4.6830 -4.6830 -3.0638 -3.0638 -2.8913 -2.8913 -1.1548 -1.1548 -1.0538 -1.0538 -0.3277 -0.3277 -0.2507 -0.2507 0.1179 0.1179 1.3210 1.3210 2.0347 2.0347 2.3174 2.3174 2.3709 2.3709 2.6424 2.6424 3.2622 3.2622 3.4151 3.4151 3.5514 3.5514 4.1783 4.1783 4.3339 4.3339 8.8050 8.8050 9.9282 9.9282 9.9648 9.9648 10.6001 10.6001 11.5398 11.5398 k =-0.4909 0.3235-0.0000 ( 4960 PWs) bands (ev): -12.8242 -12.8241 -12.7111 -12.7110 -12.2691 -12.2690 -9.9413 -9.9337 -9.7174 -9.7081 -9.6383 -9.6373 -4.6827 -4.6825 -3.0826 -3.0803 -2.8725 -2.8684 -1.2011 -1.1440 -1.0634 -1.0071 -0.3439 -0.3352 -0.2512 -0.2510 0.1248 0.1297 1.3220 1.3223 2.0303 2.0336 2.3139 2.3200 2.3712 2.3718 2.6399 2.6412 3.2631 3.2652 3.4140 3.4148 3.5527 3.5530 4.1758 4.1760 4.3335 4.3343 8.8071 8.8074 9.9267 9.9284 9.9630 9.9670 10.5993 10.6006 11.5340 11.5416 k =-0.4818 0.3382-0.0000 ( 4956 PWs) bands (ev): -12.8252 -12.8250 -12.7114 -12.7113 -12.2661 -12.2660 -9.9662 -9.9535 -9.7020 -9.6861 -9.6369 -9.6350 -4.6815 -4.6811 -3.1216 -3.1189 -2.8253 -2.8188 -1.2519 -1.1837 -1.0211 -0.9544 -0.3787 -0.3634 -0.2549 -0.2533 0.1489 0.1574 1.3254 1.3261 2.0206 2.0268 2.3098 2.3216 2.3726 2.3737 2.6337 2.6364 3.2679 3.2721 3.4116 3.4132 3.5569 3.5575 4.1690 4.1692 4.3330 4.3346 8.8137 8.8143 9.9238 9.9260 9.9629 9.9698 10.5981 10.6006 11.5246 11.5392 k =-0.4727 0.3530-0.0000 ( 4956 PWs) bands (ev): -12.8268 -12.8265 -12.7119 -12.7118 -12.2612 -12.2609 -9.9988 -9.9836 -9.6790 -9.6590 -9.6342 -9.6312 -4.6795 -4.6788 -3.1661 -3.1637 -2.7654 -2.7575 -1.3028 -1.2321 -0.9686 -0.9001 -0.4255 -0.4055 -0.2630 -0.2599 0.1854 0.1960 1.3312 1.3323 2.0058 2.0145 2.3049 2.3220 2.3750 2.3767 2.6242 2.6281 3.2763 3.2825 3.4080 3.4103 3.5638 3.5648 4.1581 4.1583 4.3321 4.3343 8.8248 8.8256 9.9186 9.9194 9.9663 9.9740 10.5964 10.6001 11.5119 11.5329 k =-0.4636 0.3677-0.0000 ( 4960 PWs) bands (ev): -12.8290 -12.8286 -12.7126 -12.7124 -12.2542 -12.2538 -10.0359 -10.0197 -9.6534 -9.6330 -9.6294 -9.6231 -4.6766 -4.6758 -3.2110 -3.2092 -2.6987 -2.6895 -1.3527 -1.2809 -0.9140 -0.8452 -0.4799 -0.4563 -0.2757 -0.2710 0.2296 0.2411 1.3394 1.3408 1.9862 1.9970 2.2990 2.3210 2.3785 2.3807 2.6119 2.6170 3.2876 3.2956 3.4034 3.4063 3.5734 3.5749 4.1439 4.1439 4.3303 4.3330 8.8403 8.8414 9.9081 9.9100 9.9739 9.9808 10.5943 10.5990 11.4965 11.5231 k =-0.4545 0.3824-0.0000 ( 4970 PWs) bands (ev): -12.8320 -12.8315 -12.7134 -12.7132 -12.2452 -12.2448 -10.0759 -10.0593 -9.6334 -9.6232 -9.6165 -9.5972 -4.6729 -4.6719 -3.2544 -3.2533 -2.6274 -2.6170 -1.4010 -1.3287 -0.8588 -0.7901 -0.5390 -0.5125 -0.2928 -0.2866 0.2778 0.2896 1.3499 1.3517 1.9621 1.9745 2.2921 2.3182 2.3829 2.3857 2.5975 2.6036 3.3012 3.3109 3.3982 3.4015 3.5854 3.5876 4.1268 4.1271 4.3273 4.3303 8.8602 8.8615 9.8926 9.8976 9.9854 9.9910 10.5917 10.5972 11.4789 11.5103 k =-0.4454 0.3972-0.0000 ( 4970 PWs) bands (ev): -12.8357 -12.8351 -12.7143 -12.7140 -12.2342 -12.2337 -10.1175 -10.1011 -9.6245 -9.6162 -9.5916 -9.5679 -4.6684 -4.6672 -3.2958 -3.2953 -2.5523 -2.5408 -1.4473 -1.3747 -0.8039 -0.7354 -0.6008 -0.5717 -0.3139 -0.3064 0.3278 0.3394 1.3628 1.3650 1.9340 1.9474 2.2838 2.3134 2.3881 2.3917 2.5815 2.5885 3.3163 3.3276 3.3924 3.3960 3.6000 3.6028 4.1076 4.1082 4.3226 4.3258 8.8843 8.8861 9.8736 9.8814 10.0005 10.0047 10.5883 10.5944 11.4595 11.4947 k =-0.4363 0.4119-0.0000 ( 4966 PWs) bands (ev): -12.8401 -12.8395 -12.7151 -12.7149 -12.2212 -12.2206 -10.1603 -10.1441 -9.6172 -9.6085 -9.5648 -9.5395 -4.6632 -4.6618 -3.3350 -3.3350 -2.4741 -2.4613 -1.4912 -1.4185 -0.7507 -0.6870 -0.6584 -0.6314 -0.3390 -0.3301 0.3780 0.3893 1.3779 1.3806 1.9021 1.9162 2.2739 2.3066 2.3941 2.3984 2.5645 2.5724 3.3323 3.3449 3.3861 3.3900 3.6169 3.6205 4.0869 4.0878 4.3160 4.3194 8.9127 8.9148 9.8512 9.8615 10.0194 10.0221 10.5841 10.5907 11.4388 11.4765 k =-0.4272 0.4266-0.0000 ( 4966 PWs) bands (ev): -12.8455 -12.8448 -12.7160 -12.7157 -12.2063 -12.2056 -10.2037 -10.1880 -9.6094 -9.5999 -9.5389 -9.5125 -4.6573 -4.6557 -3.3725 -3.3718 -2.3931 -2.3790 -1.5324 -1.4596 -0.7331 -0.7187 -0.6712 -0.6228 -0.3679 -0.3576 0.4273 0.4381 1.3954 1.3985 1.8668 1.8813 2.2621 2.2975 2.4006 2.4058 2.5471 2.5560 3.3485 3.3624 3.3795 3.3837 3.6363 3.6405 4.0650 4.0664 4.3075 4.3109 8.9453 8.9477 9.8258 9.8381 10.0419 10.0434 10.5789 10.5856 11.4169 11.4555 k =-0.4181 0.4414-0.0000 ( 4970 PWs) bands (ev): -12.8516 -12.8509 -12.7168 -12.7164 -12.1894 -12.1885 -10.2475 -10.2323 -9.6008 -9.5903 -9.5145 -9.4872 -4.6507 -4.6490 -3.4077 -3.4065 -2.3097 -2.2943 -1.5702 -1.4976 -0.7980 -0.7673 -0.6316 -0.5692 -0.4006 -0.3887 0.4748 0.4851 1.4151 1.4187 1.8286 1.8432 2.2484 2.2860 2.4073 2.4134 2.5302 2.5399 3.3638 3.3725 3.3779 3.3797 3.6579 3.6626 4.0426 4.0444 4.2971 4.3004 8.9818 8.9846 9.7974 9.8115 10.0684 10.0686 10.5724 10.5792 11.3941 11.4303 k =-0.4090 0.4561-0.0000 ( 4962 PWs) bands (ev): -12.8587 -12.8580 -12.7174 -12.7171 -12.1705 -12.1696 -10.2914 -10.2767 -9.5913 -9.5798 -9.4917 -9.4637 -4.6436 -4.6418 -3.4408 -3.4392 -2.2244 -2.2074 -1.6041 -1.5319 -0.8635 -0.8292 -0.5794 -0.5155 -0.4369 -0.4232 0.5198 0.5297 1.4369 1.4410 1.7878 1.8025 2.2325 2.2720 2.4136 2.4206 2.5145 2.5250 3.3655 3.3678 3.3826 3.3960 3.6817 3.6868 4.0199 4.0221 4.2848 4.2880 9.0223 9.0255 9.7662 9.7816 10.0979 10.0989 10.5645 10.5712 11.3698 11.3995 k =-0.3999 0.4708-0.0000 ( 4960 PWs) bands (ev): -12.8668 -12.8660 -12.7179 -12.7176 -12.1497 -12.1486 -10.3352 -10.3211 -9.5810 -9.5685 -9.4709 -9.4423 -4.6359 -4.6340 -3.4722 -3.4701 -2.1381 -2.1191 -1.6332 -1.5618 -0.9286 -0.8920 -0.5286 -0.4772 -0.4619 -0.4592 0.5616 0.5712 1.4607 1.4655 1.7451 1.7597 2.2144 2.2555 2.4187 2.4263 2.5015 2.5124 3.3583 3.3614 3.3968 3.4114 3.7073 3.7127 3.9973 3.9999 4.2708 4.2737 9.0665 9.0701 9.7323 9.7488 10.1315 10.1336 10.5550 10.5615 11.3428 11.3633 k =-0.3908 0.4856-0.0000 ( 4962 PWs) bands (ev): -12.8757 -12.8749 -12.7182 -12.7179 -12.1269 -12.1258 -10.3788 -10.3652 -9.5699 -9.5564 -9.4520 -9.4230 -4.6278 -4.6258 -3.5019 -3.4994 -2.0521 -2.0303 -1.6559 -1.5863 -0.9931 -0.9544 -0.5203 -0.5135 -0.4630 -0.4094 0.5996 0.6090 1.4865 1.4919 1.7010 1.7157 2.1940 2.2364 2.4211 2.4284 2.4935 2.5038 3.3510 3.3541 3.4108 3.4258 3.7344 3.7401 3.9751 3.9780 4.2552 4.2579 9.1142 9.1184 9.6958 9.7131 10.1694 10.1727 10.5438 10.5500 11.3102 11.3225 k =-0.3817 0.5003-0.0000 ( 4958 PWs) bands (ev): -12.8857 -12.8848 -12.7184 -12.7181 -12.1023 -12.1010 -10.4219 -10.4088 -9.5580 -9.5435 -9.4352 -9.4057 -4.6194 -4.6172 -3.5304 -3.5275 -1.9694 -1.9431 -1.6691 -1.6031 -1.0565 -1.0158 -0.5670 -0.5544 -0.4148 -0.3571 0.6330 0.6424 1.5136 1.5199 1.6565 1.6716 2.1712 2.2148 2.4196 2.4249 2.4926 2.5006 3.3437 3.3466 3.4240 3.4391 3.7628 3.7685 3.9534 3.9566 4.2384 4.2408 9.1654 9.1700 9.6569 9.6748 10.2117 10.2160 10.5307 10.5366 11.2700 11.2782 k =-0.3726 0.5150-0.0000 ( 4954 PWs) bands (ev): -12.8965 -12.8957 -12.7183 -12.7181 -12.0757 -12.0743 -10.4644 -10.4519 -9.5454 -9.5299 -9.4204 -9.3907 -4.6106 -4.6084 -3.5578 -3.5546 -1.8971 -1.8621 -1.6659 -1.6077 -1.1187 -1.0761 -0.6171 -0.6025 -0.3630 -0.3053 0.6611 0.6707 1.5403 1.5477 1.6141 1.6298 2.1461 2.1907 2.4141 2.4167 2.4980 2.5030 3.3363 3.3391 3.4364 3.4514 3.7920 3.7977 3.9326 3.9361 4.2206 4.2226 9.2197 9.2249 9.6157 9.6339 10.2585 10.2637 10.5157 10.5213 11.2240 11.2309 k =-0.3635 0.5298-0.0000 ( 4954 PWs) bands (ev): -12.9083 -12.9074 -12.7181 -12.7179 -12.0472 -12.0457 -10.5063 -10.4943 -9.5323 -9.5157 -9.4077 -9.3777 -4.6017 -4.5995 -3.5844 -3.5809 -1.8469 -1.7975 -1.6342 -1.5896 -1.1792 -1.1348 -0.6704 -0.6545 -0.3110 -0.2540 0.6830 0.6931 1.5536 1.5537 1.5963 1.6042 2.1186 2.1639 2.4061 2.4065 2.5071 2.5096 3.3291 3.3316 3.4478 3.4627 3.8215 3.8272 3.9128 3.9164 4.2020 4.2037 9.2771 9.2828 9.5723 9.5906 10.3095 10.3155 10.4989 10.5042 11.1741 11.1812 k =-0.3544 0.5445-0.0000 ( 4948 PWs) bands (ev): -12.9209 -12.9200 -12.7177 -12.7175 -12.0169 -12.0152 -10.5473 -10.5359 -9.5185 -9.5009 -9.3970 -9.3669 -4.5927 -4.5905 -3.6107 -3.6068 -1.8228 -1.7601 -1.5704 -1.5380 -1.2377 -1.1918 -0.7268 -0.7099 -0.2592 -0.2031 0.6978 0.7085 1.5180 1.5278 1.6217 1.6237 2.0887 2.1347 2.3959 2.3971 2.5182 2.5188 3.3220 3.3241 3.4584 3.4730 3.8512 3.8566 3.8941 3.8979 4.1829 4.1843 9.3373 9.3436 9.5267 9.5450 10.3644 10.3708 10.4806 10.4859 11.1217 11.1296 k =-0.3453 0.5592-0.0000 ( 4952 PWs) bands (ev): -12.9344 -12.9335 -12.7172 -12.7170 -11.9848 -11.9829 -10.5875 -10.5767 -9.5043 -9.4858 -9.3883 -9.3581 -4.5838 -4.5815 -3.6367 -3.6325 -1.8129 -1.7440 -1.4865 -1.4592 -1.2937 -1.2466 -0.7862 -0.7684 -0.2076 -0.1526 0.7046 0.7162 1.4797 1.4918 1.6541 1.6585 2.0565 2.1031 2.3859 2.3883 2.5296 2.5304 3.3151 3.3169 3.4681 3.4824 3.8760 3.8792 3.8812 3.8872 4.1637 4.1648 9.4000 9.4069 9.4792 9.4974 10.4189 10.4238 10.4649 10.4722 11.0676 11.0767 k =-0.3453 0.5592-0.0000 ( 4952 PWs) bands (ev): -12.9344 -12.9335 -12.7172 -12.7170 -11.9848 -11.9829 -10.5875 -10.5767 -9.5043 -9.4858 -9.3883 -9.3581 -4.5838 -4.5815 -3.6367 -3.6325 -1.8129 -1.7440 -1.4865 -1.4592 -1.2937 -1.2466 -0.7862 -0.7684 -0.2076 -0.1526 0.7046 0.7162 1.4797 1.4918 1.6541 1.6585 2.0565 2.1031 2.3859 2.3883 2.5296 2.5304 3.3151 3.3169 3.4681 3.4824 3.8760 3.8792 3.8812 3.8872 4.1637 4.1648 9.4000 9.4069 9.4792 9.4974 10.4189 10.4238 10.4649 10.4722 11.0676 11.0767 k =-0.3453 0.5592 0.0173 ( 4948 PWs) bands (ev): -12.9341 -12.9333 -12.7172 -12.7170 -11.9837 -11.9819 -10.5870 -10.5762 -9.5071 -9.4886 -9.3894 -9.3593 -4.5801 -4.5779 -3.6377 -3.6335 -1.8092 -1.7407 -1.4917 -1.4645 -1.2920 -1.2450 -0.7884 -0.7707 -0.2020 -0.1475 0.7051 0.7167 1.4786 1.4905 1.6546 1.6590 2.0564 2.1025 2.3795 2.3816 2.5354 2.5360 3.3141 3.3158 3.4697 3.4838 3.8756 3.8788 3.8814 3.8873 4.1630 4.1640 9.3987 9.4054 9.4772 9.4954 10.4168 10.4213 10.4577 10.4654 11.0754 11.0845 k =-0.3453 0.5592 0.0346 ( 4955 PWs) bands (ev): -12.9334 -12.9326 -12.7174 -12.7172 -11.9805 -11.9787 -10.5855 -10.5747 -9.5156 -9.4972 -9.3927 -9.3627 -4.5693 -4.5672 -3.6407 -3.6365 -1.7984 -1.7315 -1.5065 -1.4794 -1.2872 -1.2399 -0.7950 -0.7774 -0.1856 -0.1325 0.7066 0.7181 1.4752 1.4864 1.6560 1.6605 2.0562 2.1010 2.3626 2.3642 2.5503 2.5503 3.3113 3.3126 3.4743 3.4880 3.8744 3.8776 3.8821 3.8879 4.1607 4.1617 9.3950 9.4012 9.4714 9.4896 10.4053 10.4089 10.4431 10.4519 11.0969 11.1063 k =-0.3453 0.5592 0.0519 ( 4959 PWs) bands (ev): -12.9322 -12.9314 -12.7176 -12.7174 -11.9752 -11.9734 -10.5831 -10.5723 -9.5295 -9.5113 -9.3982 -9.3684 -4.5513 -4.5496 -3.6455 -3.6412 -1.7820 -1.7188 -1.5289 -1.5006 -1.2790 -1.2315 -0.8060 -0.7886 -0.1594 -0.1085 0.7092 0.7205 1.4697 1.4798 1.6584 1.6630 2.0556 2.0982 2.3393 2.3402 2.5695 2.5702 3.3070 3.3078 3.4815 3.4946 3.8723 3.8755 3.8833 3.8889 4.1570 4.1580 9.3893 9.3946 9.4618 9.4800 10.3736 10.3771 10.4358 10.4451 11.1284 11.1379 k =-0.3453 0.5592 0.0691 ( 4965 PWs) bands (ev): -12.9306 -12.9297 -12.7179 -12.7177 -11.9678 -11.9660 -10.5796 -10.5689 -9.5488 -9.5309 -9.4058 -9.3764 -4.5264 -4.5251 -3.6518 -3.6475 -1.7640 -1.7085 -1.5540 -1.5209 -1.2676 -1.2200 -0.8211 -0.8040 -0.1251 -0.0769 0.7129 0.7239 1.4621 1.4706 1.6617 1.6664 2.0543 2.0941 2.3122 2.3125 2.5911 2.5922 3.3015 3.3019 3.4907 3.5030 3.8692 3.8725 3.8850 3.8904 4.1518 4.1527 9.3822 9.3863 9.4483 9.4665 10.3274 10.3310 10.4349 10.4445 11.1654 11.1748 k =-0.3453 0.5592 0.0864 ( 4966 PWs) bands (ev): -12.9285 -12.9276 -12.7183 -12.7182 -11.9583 -11.9566 -10.5751 -10.5646 -9.5732 -9.5557 -9.4156 -9.3866 -4.4948 -4.4940 -3.6592 -3.6549 -1.7534 -1.7125 -1.5718 -1.5274 -1.2531 -1.2056 -0.8401 -0.8233 -0.0844 -0.0392 0.7176 0.7283 1.4526 1.4592 1.6659 1.6706 2.0522 2.0883 2.2828 2.2830 2.6135 2.6152 3.2952 3.2953 3.5014 3.5130 3.8652 3.8685 3.8870 3.8922 4.1451 4.1460 9.3743 9.3771 9.4311 9.4492 10.2743 10.2781 10.4365 10.4467 11.2039 11.2130 k =-0.3453 0.5592 0.1037 ( 4968 PWs) bands (ev): -12.9259 -12.9251 -12.7189 -12.7187 -11.9467 -11.9450 -10.5697 -10.5593 -9.6025 -9.5854 -9.4274 -9.3989 -4.4568 -4.4566 -3.6674 -3.6631 -1.7646 -1.7399 -1.5670 -1.5096 -1.2359 -1.1888 -0.8625 -0.8460 -0.0390 0.0029 0.7234 0.7337 1.4412 1.4457 1.6708 1.6755 2.0487 2.0808 2.2520 2.2527 2.6362 2.6383 3.2882 3.2887 3.5131 3.5239 3.8604 3.8636 3.8892 3.8942 4.1371 4.1379 9.3665 9.3678 9.4102 9.4281 10.2184 10.2223 10.4398 10.4506 11.2409 11.2492 k =-0.3453 0.5592 0.1210 ( 4969 PWs) bands (ev): -12.9230 -12.9221 -12.7195 -12.7194 -11.9329 -11.9313 -10.5632 -10.5530 -9.6364 -9.6198 -9.4412 -9.4133 -4.4133 -4.4127 -3.6759 -3.6717 -1.8008 -1.7863 -1.5356 -1.4711 -1.2164 -1.1703 -0.8877 -0.8711 0.0095 0.0482 0.7302 0.7400 1.4281 1.4304 1.6763 1.6808 2.0434 2.0710 2.2207 2.2218 2.6588 2.6613 3.2811 3.2819 3.5253 3.5354 3.8546 3.8577 3.8915 3.8962 4.1277 4.1284 9.3594 9.3595 9.3860 9.4035 10.1622 10.1663 10.4445 10.4560 11.2732 11.2806 k =-0.3453 0.5592 0.1383 ( 4965 PWs) bands (ev): -12.9196 -12.9187 -12.7203 -12.7202 -11.9171 -11.9155 -10.5557 -10.5457 -9.6746 -9.6585 -9.4569 -9.4297 -4.3644 -4.3630 -3.6843 -3.6802 -1.8528 -1.8439 -1.4862 -1.4191 -1.1960 -1.1517 -0.9143 -0.8968 0.0598 0.0952 0.7381 0.7474 1.4134 1.4135 1.6820 1.6863 2.0361 2.0588 2.1895 2.1910 2.6813 2.6841 3.2741 3.2752 3.5378 3.5472 3.8480 3.8510 3.8936 3.8981 4.1171 4.1176 9.3512 9.3525 9.3617 9.3755 10.1075 10.1118 10.4506 10.4628 11.2985 11.3048 k =-0.3453 0.5592 0.1556 ( 4963 PWs) bands (ev): -12.9158 -12.9149 -12.7212 -12.7211 -11.8992 -11.8977 -10.5472 -10.5374 -9.7167 -9.7012 -9.4745 -9.4480 -4.3103 -4.3080 -3.6922 -3.6882 -1.9132 -1.9079 -1.4259 -1.3578 -1.1770 -1.1366 -0.9397 -0.9196 0.1108 0.1430 0.7470 0.7557 1.3949 1.3974 1.6877 1.6916 2.0263 2.0439 2.1588 2.1608 2.7035 2.7067 3.2674 3.2687 3.5503 3.5590 3.8406 3.8434 3.8955 3.8996 4.1052 4.1056 9.3252 9.3419 9.3507 9.3549 10.0556 10.0601 10.4581 10.4708 11.3144 11.3200 k =-0.3453 0.5592 0.1729 ( 4961 PWs) bands (ev): -12.9117 -12.9108 -12.7222 -12.7221 -11.8792 -11.8778 -10.5377 -10.5281 -9.7624 -9.7475 -9.4938 -9.4682 -4.2514 -4.2482 -3.6991 -3.6954 -1.9785 -1.9760 -1.3579 -1.2895 -1.1641 -1.1310 -0.9590 -0.9331 0.1616 0.1907 0.7569 0.7650 1.3751 1.3800 1.6928 1.6963 2.0137 2.0260 2.1291 2.1315 2.7256 2.7290 3.2611 3.2625 3.5625 3.5706 3.8326 3.8351 3.8968 3.9007 4.0922 4.0924 9.2923 9.3092 9.3488 9.3557 10.0073 10.0121 10.4669 10.4802 11.3195 11.3247 k =-0.3453 0.5592 0.1902 ( 4957 PWs) bands (ev): -12.9072 -12.9063 -12.7233 -12.7233 -11.8572 -11.8559 -10.5271 -10.5178 -9.8113 -9.7970 -9.5147 -9.4900 -4.1881 -4.1839 -3.7048 -3.7014 -2.0470 -2.0465 -1.2848 -1.2155 -1.1642 -1.1419 -0.9643 -0.9302 0.2113 0.2374 0.7679 0.7752 1.3541 1.3612 1.6970 1.6998 1.9980 2.0048 2.1009 2.1039 2.7476 2.7512 3.2553 3.2568 3.5744 3.5819 3.8239 3.8261 3.8974 3.9009 4.0782 4.0782 9.2573 9.2733 9.3520 9.3610 9.9632 9.9681 10.4769 10.4907 11.3132 11.3185 k =-0.3453 0.5592 0.2074 ( 4953 PWs) bands (ev): -12.9024 -12.9014 -12.7246 -12.7246 -11.8331 -11.8319 -10.5155 -10.5065 -9.8631 -9.8494 -9.5372 -9.5135 -4.1209 -4.1157 -3.7090 -3.7059 -2.1185 -2.1173 -1.2161 -1.1736 -1.1707 -1.1364 -0.9508 -0.9098 0.2595 0.2826 0.7798 0.7864 1.3319 1.3412 1.6994 1.7016 1.9791 1.9804 2.0747 2.0781 2.7695 2.7733 3.2500 3.2515 3.5856 3.5925 3.8147 3.8166 3.8972 3.9003 4.0631 4.0632 9.2213 9.2361 9.3599 9.3708 9.9234 9.9285 10.4880 10.5021 11.2957 11.3018 k =-0.3453 0.5592 0.2247 ( 4960 PWs) bands (ev): -12.8972 -12.8963 -12.7261 -12.7260 -11.8070 -11.8059 -10.5028 -10.4941 -9.9174 -9.9044 -9.5612 -9.5384 -4.0501 -4.0440 -3.7113 -3.7086 -2.1915 -2.1887 -1.2270 -1.2117 -1.1150 -1.0539 -0.9214 -0.8765 0.3055 0.3257 0.7926 0.7984 1.3085 1.3198 1.6997 1.7010 1.9526 1.9568 2.0509 2.0548 2.7915 2.7954 3.2452 3.2467 3.5961 3.6025 3.8052 3.8067 3.8959 3.8986 4.0471 4.0475 9.1852 9.1986 9.3728 9.3855 9.8879 9.8931 10.4999 10.5144 11.2682 11.2754 k =-0.3453 0.5592 0.2420 ( 4958 PWs) bands (ev): -12.8919 -12.8909 -12.7277 -12.7277 -11.7789 -11.7780 -10.4891 -10.4808 -9.9739 -9.9615 -9.5864 -9.5647 -3.9762 -3.9690 -3.7116 -3.7094 -2.2647 -2.2607 -1.2709 -1.2612 -1.0303 -0.9680 -0.8812 -0.8345 0.3489 0.3664 0.8062 0.8111 1.2840 1.2971 1.6973 1.6977 1.9215 1.9311 2.0297 2.0339 2.8136 2.8177 3.2411 3.2426 3.6059 3.6117 3.7955 3.7965 3.8933 3.8956 4.0304 4.0310 9.1502 9.1620 9.3908 9.4053 9.8564 9.8617 10.5124 10.5272 11.2323 11.2409 k =-0.3453 0.5592 0.2593 ( 4961 PWs) bands (ev): -12.8862 -12.8853 -12.7295 -12.7294 -11.7487 -11.7480 -10.4743 -10.4664 -10.0323 -10.0206 -9.6129 -9.5923 -3.8995 -3.8914 -3.7096 -3.7079 -2.3379 -2.3329 -1.3229 -1.3164 -0.9418 -0.8794 -0.8335 -0.7861 0.3895 0.4043 0.8205 0.8245 1.2583 1.2730 1.6914 1.6919 1.8872 1.9021 2.0112 2.0156 2.8360 2.8401 3.2377 3.2390 3.6147 3.6200 3.7858 3.7864 3.8895 3.8913 4.0131 4.0139 9.1172 9.1272 9.4142 9.4303 9.8284 9.8338 10.5251 10.5403 11.1896 11.1995 k =-0.3453 0.5592 0.2766 ( 4963 PWs) bands (ev): -12.8804 -12.8795 -12.7315 -12.7314 -11.7167 -11.7161 -10.4585 -10.4510 -10.0922 -10.0811 -9.6405 -9.6209 -3.8205 -3.8113 -3.7053 -3.7040 -2.4107 -2.4047 -1.3801 -1.3761 -0.8513 -0.7888 -0.7796 -0.7328 0.4269 0.4391 0.8352 0.8383 1.2315 1.2475 1.6822 1.6835 1.8500 1.8698 1.9951 1.9993 2.8586 2.8627 3.2349 3.2361 3.6226 3.6275 3.7763 3.7764 3.8844 3.8856 3.9954 3.9964 9.0872 9.0954 9.4430 9.4606 9.8033 9.8089 10.5378 10.5533 11.1417 11.1529 k =-0.3453 0.5592 0.2939 ( 4961 PWs) bands (ev): -12.8744 -12.8734 -12.7337 -12.7336 -11.6826 -11.6822 -10.4416 -10.4346 -10.1534 -10.1430 -9.6690 -9.6506 -3.7399 -3.7293 -3.6984 -3.6972 -2.4827 -2.4760 -1.4412 -1.4392 -0.7608 -0.7194 -0.6968 -0.6753 0.4609 0.4706 0.8501 0.8521 1.2036 1.2206 1.6706 1.6726 1.8101 1.8345 1.9809 1.9846 2.8815 2.8856 3.2327 3.2337 3.6296 3.6340 3.7668 3.7673 3.8778 3.8785 3.9773 3.9785 9.0612 9.0673 9.4771 9.4960 9.7804 9.7862 10.5499 10.5657 11.0901 11.1023 k =-0.3453 0.5592 0.3112 ( 4955 PWs) bands (ev): -12.8682 -12.8673 -12.7361 -12.7359 -11.6467 -11.6464 -10.4236 -10.4171 -10.2157 -10.2058 -9.6983 -9.6811 -3.6903 -3.6890 -3.6550 -3.6455 -2.5539 -2.5465 -1.5056 -1.5054 -0.6768 -0.6476 -0.6140 -0.6038 0.4912 0.4985 0.8647 0.8655 1.1749 1.1925 1.6572 1.6599 1.7681 1.7963 1.9677 1.9707 2.9048 2.9089 3.2312 3.2320 3.6356 3.6396 3.7578 3.7588 3.8699 3.8700 3.9590 3.9605 9.0399 9.0439 9.5163 9.5364 9.7589 9.7651 10.5608 10.5770 11.0364 11.0493 k =-0.3453 0.5592 0.3284 ( 4955 PWs) bands (ev): -12.8619 -12.8610 -12.7387 -12.7385 -11.6088 -11.6088 -10.4047 -10.3986 -10.2786 -10.2694 -9.7284 -9.7123 -3.6781 -3.6769 -3.5714 -3.5604 -2.6239 -2.6160 -1.5741 -1.5727 -0.6043 -0.5603 -0.5492 -0.5105 0.5176 0.5225 0.8777 0.8779 1.1461 1.1635 1.6426 1.6463 1.7245 1.7557 1.9547 1.9566 2.9283 2.9324 3.2302 3.2307 3.6407 3.6445 3.7496 3.7511 3.8601 3.8607 3.9406 3.9423 9.0239 9.0259 9.5604 9.5814 9.7379 9.7446 10.5698 10.5863 10.9820 10.9953 k =-0.3453 0.5592 0.3457 ( 4953 PWs) bands (ev): -12.8556 -12.8546 -12.7415 -12.7413 -11.5693 -11.5691 -10.3848 -10.3793 -10.3419 -10.3333 -9.7590 -9.7441 -3.6637 -3.6620 -3.4860 -3.4742 -2.6926 -2.6843 -1.6451 -1.6423 -0.5338 -0.4813 -0.4677 -0.4175 0.5399 0.5424 0.8869 0.8880 1.1184 1.1350 1.6273 1.6327 1.6804 1.7131 1.9409 1.9415 2.9521 2.9561 3.2296 3.2298 3.6450 3.6485 3.7424 3.7444 3.8490 3.8504 3.9223 3.9242 9.0137 9.0139 9.6089 9.6308 9.7167 9.7239 10.5761 10.5931 10.9286 10.9419 k =-0.3453 0.5592 0.3630 ( 4957 PWs) bands (ev): -12.8492 -12.8482 -12.7446 -12.7443 -11.5280 -11.5276 -10.4063 -10.3985 -10.3629 -10.3582 -9.7902 -9.7764 -3.6467 -3.6444 -3.3997 -3.3871 -2.7598 -2.7512 -1.7182 -1.7139 -0.4615 -0.4106 -0.3746 -0.3253 0.5577 0.5578 0.8903 0.8919 1.0948 1.1093 1.6096 1.6200 1.6392 1.6691 1.9248 1.9256 2.9759 2.9799 3.2291 3.2293 3.6486 3.6520 3.7363 3.7388 3.8368 3.8390 3.9041 3.9063 9.0078 9.0101 9.6608 9.6840 9.6947 9.7022 10.5789 10.5963 10.8781 10.8908 k =-0.3453 0.5592 0.3803 ( 4951 PWs) bands (ev): -12.8427 -12.8418 -12.7479 -12.7475 -11.4849 -11.4842 -10.4701 -10.4627 -10.3410 -10.3369 -9.8216 -9.8090 -3.6270 -3.6241 -3.3126 -3.2995 -2.8254 -2.8166 -1.7931 -1.7875 -0.3869 -0.3373 -0.2824 -0.2346 0.5685 0.5707 0.8836 0.8850 1.0794 1.0904 1.5785 1.6086 1.6132 1.6248 1.9061 1.9083 2.9997 3.0037 3.2284 3.2290 3.6517 3.6552 3.7316 3.7344 3.8238 3.8267 3.8863 3.8886 9.0084 9.0129 9.6674 9.6776 9.7193 9.7411 10.5770 10.5951 10.8321 10.8437 k =-0.3453 0.5592 0.3976 ( 4937 PWs) bands (ev): -12.8363 -12.8353 -12.7514 -12.7510 -11.4400 -11.4391 -10.5340 -10.5270 -10.3179 -10.3144 -9.8533 -9.8418 -3.6044 -3.6009 -3.2251 -3.2115 -2.8892 -2.8803 -1.8697 -1.8629 -0.3100 -0.2618 -0.1919 -0.1460 0.5739 0.5785 0.8628 0.8636 1.0756 1.0820 1.5366 1.5783 1.6013 1.6019 1.8851 1.8887 3.0232 3.0272 3.2274 3.2285 3.6546 3.6582 3.7282 3.7314 3.8102 3.8138 3.8688 3.8714 9.0158 9.0222 9.6393 9.6502 9.7783 9.8009 10.5698 10.5886 10.7923 10.8024 k =-0.3453 0.5592 0.4149 ( 4938 PWs) bands (ev): -12.8298 -12.8289 -12.7551 -12.7547 -11.3935 -11.3923 -10.5976 -10.5911 -10.2937 -10.2909 -9.8851 -9.8748 -3.5791 -3.5750 -3.1373 -3.1233 -2.9512 -2.9422 -1.9478 -1.9398 -0.2311 -0.1844 -0.1038 -0.0601 0.5737 0.5806 0.8270 0.8282 1.0828 1.0847 1.4936 1.5339 1.5949 1.5968 1.8618 1.8667 3.0462 3.0503 3.2259 3.2275 3.6575 3.6614 3.7263 3.7299 3.7961 3.8004 3.8519 3.8547 9.0298 9.0381 9.6068 9.6189 9.8403 9.8630 10.5565 10.5761 10.7599 10.7683 k =-0.3453 0.5592 0.4322 ( 4942 PWs) bands (ev): -12.8235 -12.8226 -12.7591 -12.7586 -11.3452 -11.3439 -10.6608 -10.6549 -10.2686 -10.2665 -9.9169 -9.9077 -3.5510 -3.5463 -3.0498 -3.0354 -3.0107 -3.0020 -2.0272 -2.0182 -0.1505 -0.1055 -0.0189 0.0225 0.5674 0.5768 0.7790 0.7818 1.0959 1.0978 1.4517 1.4901 1.5929 1.5958 1.8364 1.8424 3.0685 3.0728 3.2235 3.2256 3.6609 3.6651 3.7260 3.7298 3.7818 3.7867 3.8356 3.8386 9.0503 9.0603 9.5699 9.5832 9.9041 9.9268 10.5367 10.5569 10.7359 10.7425 k =-0.3453 0.5592 0.4494 ( 4944 PWs) bands (ev): -12.8172 -12.8163 -12.7633 -12.7628 -11.2954 -11.2938 -10.7235 -10.7180 -10.2425 -10.2412 -9.9486 -9.9405 -3.5202 -3.5149 -3.0696 -3.0606 -2.9610 -2.9468 -2.1079 -2.0979 -0.0685 -0.0254 0.0622 0.1011 0.5546 0.5667 0.7217 0.7272 1.1128 1.1181 1.4115 1.4474 1.5953 1.5991 1.8094 1.8163 3.0900 3.0943 3.2199 3.2225 3.6648 3.6695 3.7271 3.7312 3.7675 3.7729 3.8200 3.8232 9.0770 9.0886 9.5286 9.5430 9.9692 9.9916 10.5103 10.5307 10.7208 10.7258 k =-0.3453 0.5592 0.4667 ( 4943 PWs) bands (ev): -12.8110 -12.8102 -12.7678 -12.7672 -11.2441 -11.2421 -10.7855 -10.7805 -10.2155 -10.2150 -9.9801 -9.9731 -3.4866 -3.4807 -3.1254 -3.1165 -2.8734 -2.8591 -2.1897 -2.1788 0.0144 0.0554 0.1390 0.1752 0.5348 0.5498 0.6578 0.6662 1.1334 1.1418 1.3731 1.4063 1.6022 1.6068 1.7811 1.7888 3.1103 3.1147 3.2149 3.2180 3.6698 3.6749 3.7296 3.7341 3.7537 3.7592 3.8054 3.8087 9.1094 9.1226 9.4835 9.4989 10.0348 10.0569 10.4773 10.4977 10.7147 10.7186 k =-0.3453 0.5592 0.4840 ( 4946 PWs) bands (ev): -12.8050 -12.8042 -12.7725 -12.7718 -11.1912 -11.1889 -10.8467 -10.8421 -10.1879 -10.1876 -10.0113 -10.0053 -3.4504 -3.4440 -3.1790 -3.1704 -2.7859 -2.7717 -2.2725 -2.2609 0.0976 0.1364 0.2107 0.2442 0.5076 0.5258 0.5891 0.6004 1.1568 1.1682 1.3367 1.3669 1.6135 1.6190 1.7525 1.7605 3.1293 3.1338 3.2082 3.2117 3.6759 3.6815 3.7321 3.7383 3.7419 3.7462 3.7917 3.7951 9.1471 9.1615 9.4353 9.4514 10.1000 10.1218 10.4377 10.4581 10.7176 10.7206 k =-0.3453 0.5592 0.5013 ( 4946 PWs) bands (ev): -12.7991 -12.7983 -12.7774 -12.7767 -11.1369 -11.1343 -10.9069 -10.9028 -10.1601 -10.1590 -10.0422 -10.0372 -3.4115 -3.4046 -3.2304 -3.2220 -2.6989 -2.6848 -2.3563 -2.3440 0.1805 0.2171 0.2766 0.3076 0.4715 0.4939 0.5187 0.5314 1.1823 1.1967 1.3023 1.3292 1.6291 1.6354 1.7241 1.7322 3.1469 3.1514 3.1996 3.2036 3.6833 3.6894 3.7248 3.7323 3.7420 3.7451 3.7791 3.7826 9.1894 9.2047 9.3852 9.4018 10.1641 10.1855 10.3922 10.4125 10.7292 10.7314 k =-0.3453 0.5592 0.5186 ( 4944 PWs) bands (ev): -12.7934 -12.7926 -12.7825 -12.7818 -11.0813 -11.0783 -10.9662 -10.9625 -10.1316 -10.1295 -10.0725 -10.0686 -3.3700 -3.3626 -3.2793 -3.2713 -2.6123 -2.5985 -2.4409 -2.4280 0.2617 0.2967 0.3345 0.3649 0.4220 0.4470 0.4545 0.4675 1.2097 1.2271 1.2697 1.2934 1.6486 1.6556 1.6968 1.7048 3.1628 3.1673 3.1892 3.1935 3.6921 3.6985 3.7131 3.7202 3.7488 3.7524 3.7676 3.7713 9.2353 9.2514 9.3344 9.3511 10.2263 10.2472 10.3412 10.3616 10.7487 10.7504 k =-0.3453 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.7878 -12.7878 -12.7871 -12.7871 -11.0243 -11.0243 -11.0210 -11.0210 -10.1024 -10.1024 -10.0994 -10.0994 -3.3259 -3.3259 -3.3182 -3.3182 -2.5263 -2.5263 -2.5128 -2.5128 0.3362 0.3362 0.3734 0.3734 0.4044 0.4044 0.4190 0.4190 1.2388 1.2388 1.2593 1.2593 1.6713 1.6713 1.6789 1.6789 3.1769 3.1769 3.1813 3.1813 3.7021 3.7021 3.7089 3.7089 3.7575 3.7575 3.7611 3.7611 9.2840 9.2840 9.3006 9.3006 10.2856 10.2856 10.3062 10.3062 10.7756 10.7756 k =-0.3453 0.5592 0.5359 ( 4948 PWs) bands (ev): -12.7878 -12.7878 -12.7871 -12.7871 -11.0243 -11.0243 -11.0210 -11.0210 -10.1024 -10.1024 -10.0994 -10.0994 -3.3259 -3.3259 -3.3182 -3.3182 -2.5263 -2.5263 -2.5128 -2.5128 0.3362 0.3362 0.3734 0.3734 0.4044 0.4044 0.4190 0.4190 1.2388 1.2388 1.2593 1.2593 1.6713 1.6713 1.6789 1.6789 3.1769 3.1769 3.1813 3.1813 3.7021 3.7021 3.7089 3.7089 3.7575 3.7575 3.7611 3.7611 9.2840 9.2840 9.3006 9.3006 10.2856 10.2856 10.3062 10.3062 10.7756 10.7756 k =-0.3544 0.5445 0.5359 ( 4944 PWs) bands (ev): -12.7828 -12.7828 -12.7821 -12.7821 -11.0522 -11.0522 -11.0490 -11.0490 -10.0738 -10.0738 -10.0708 -10.0708 -3.3923 -3.3923 -3.3853 -3.3853 -2.4676 -2.4676 -2.4541 -2.4541 0.3441 0.3441 0.3815 0.3815 0.4125 0.4125 0.4253 0.4253 1.2362 1.2362 1.2554 1.2554 1.6774 1.6774 1.6849 1.6849 3.1641 3.1641 3.1684 3.1684 3.6881 3.6881 3.6944 3.6944 3.7742 3.7742 3.7779 3.7779 9.2686 9.2686 9.2850 9.2850 10.2885 10.2885 10.3078 10.3078 10.7873 10.7873 k =-0.3635 0.5298 0.5359 ( 4940 PWs) bands (ev): -12.7780 -12.7780 -12.7774 -12.7774 -11.0786 -11.0786 -11.0756 -11.0756 -10.0457 -10.0457 -10.0429 -10.0429 -3.4565 -3.4565 -3.4502 -3.4502 -2.4117 -2.4117 -2.3982 -2.3982 0.3525 0.3525 0.3902 0.3902 0.4204 0.4204 0.4312 0.4312 1.2315 1.2315 1.2493 1.2493 1.6852 1.6852 1.6926 1.6926 3.1504 3.1504 3.1545 3.1545 3.6748 3.6748 3.6807 3.6807 3.7921 3.7921 3.7958 3.7958 9.2513 9.2513 9.2674 9.2674 10.2917 10.2917 10.3098 10.3098 10.8031 10.8031 k =-0.3726 0.5150 0.5359 ( 4950 PWs) bands (ev): -12.7736 -12.7736 -12.7730 -12.7730 -11.1034 -11.1034 -11.1006 -11.1006 -10.0184 -10.0184 -10.0157 -10.0157 -3.5182 -3.5182 -3.5126 -3.5126 -2.3586 -2.3586 -2.3452 -2.3452 0.3616 0.3616 0.3994 0.3994 0.4281 0.4281 0.4368 0.4368 1.2248 1.2248 1.2411 1.2411 1.6945 1.6945 1.7018 1.7018 3.1359 3.1359 3.1399 3.1399 3.6621 3.6621 3.6677 3.6677 3.8108 3.8108 3.8144 3.8144 9.2324 9.2324 9.2480 9.2480 10.2956 10.2956 10.3124 10.3124 10.8220 10.8220 k =-0.3817 0.5003 0.5359 ( 4934 PWs) bands (ev): -12.7694 -12.7694 -12.7689 -12.7689 -11.1267 -11.1267 -11.1240 -11.1240 -9.9920 -9.9920 -9.9894 -9.9894 -3.5771 -3.5771 -3.5721 -3.5721 -2.3086 -2.3086 -2.2954 -2.2954 0.3711 0.3711 0.4089 0.4089 0.4358 0.4358 0.4425 0.4425 1.2162 1.2162 1.2310 1.2310 1.7050 1.7050 1.7121 1.7121 3.1209 3.1209 3.1247 3.1247 3.6503 3.6503 3.6556 3.6556 3.8301 3.8301 3.8336 3.8336 9.2126 9.2126 9.2276 9.2276 10.3008 10.3008 10.3163 10.3163 10.8438 10.8438 k =-0.3908 0.4856 0.5359 ( 4938 PWs) bands (ev): -12.7656 -12.7656 -12.7651 -12.7651 -11.1483 -11.1483 -11.1458 -11.1458 -9.9667 -9.9667 -9.9641 -9.9641 -3.6330 -3.6330 -3.6286 -3.6286 -2.2617 -2.2617 -2.2489 -2.2489 0.3810 0.3810 0.4183 0.4183 0.4437 0.4437 0.4486 0.4486 1.2058 1.2058 1.2191 1.2191 1.7165 1.7165 1.7233 1.7233 3.1056 3.1056 3.1092 3.1092 3.6393 3.6393 3.6442 3.6442 3.8496 3.8496 3.8529 3.8529 9.1922 9.1922 9.2065 9.2065 10.3073 10.3073 10.3215 10.3215 10.8678 10.8678 k =-0.3999 0.4708 0.5359 ( 4942 PWs) bands (ev): -12.7620 -12.7620 -12.7616 -12.7616 -11.1683 -11.1683 -11.1660 -11.1660 -9.9426 -9.9426 -9.9402 -9.9402 -3.6856 -3.6856 -3.6817 -3.6817 -2.2180 -2.2180 -2.2057 -2.2057 0.3910 0.3910 0.4269 0.4269 0.4519 0.4519 0.4558 0.4558 1.1939 1.1939 1.2056 1.2056 1.7286 1.7286 1.7352 1.7352 3.0902 3.0902 3.0935 3.0935 3.6291 3.6291 3.6337 3.6337 3.8690 3.8690 3.8720 3.8720 9.1718 9.1718 9.1853 9.1853 10.3155 10.3155 10.3283 10.3283 10.8932 10.8932 k =-0.4090 0.4561 0.5359 ( 4962 PWs) bands (ev): -12.7588 -12.7588 -12.7584 -12.7584 -11.1866 -11.1866 -11.1846 -11.1846 -9.9198 -9.9198 -9.9176 -9.9176 -3.7346 -3.7346 -3.7312 -3.7312 -2.1778 -2.1778 -2.1661 -2.1661 0.4007 0.4007 0.4341 0.4341 0.4608 0.4608 0.4647 0.4647 1.1805 1.1805 1.1907 1.1907 1.7411 1.7411 1.7473 1.7473 3.0749 3.0749 3.0781 3.0781 3.6198 3.6198 3.6241 3.6241 3.8880 3.8880 3.8907 3.8907 9.1518 9.1518 9.1643 9.1643 10.3251 10.3251 10.3367 10.3367 10.9192 10.9192 k =-0.4181 0.4414 0.5359 ( 4966 PWs) bands (ev): -12.7559 -12.7559 -12.7555 -12.7555 -11.2033 -11.2033 -11.2014 -11.2014 -9.8987 -9.8987 -9.8966 -9.8966 -3.7797 -3.7797 -3.7768 -3.7768 -2.1410 -2.1410 -2.1301 -2.1301 0.4098 0.4098 0.4394 0.4394 0.4705 0.4705 0.4755 0.4755 1.1662 1.1662 1.1748 1.1748 1.7536 1.7536 1.7594 1.7594 3.0601 3.0601 3.0630 3.0630 3.6113 3.6113 3.6152 3.6152 3.9062 3.9062 3.9087 3.9087 9.1327 9.1327 9.1442 9.1442 10.3363 10.3363 10.3465 10.3465 10.9453 10.9453 k =-0.4272 0.4266 0.5359 ( 4950 PWs) bands (ev): -12.7533 -12.7533 -12.7529 -12.7529 -11.2182 -11.2182 -11.2165 -11.2165 -9.8792 -9.8792 -9.8773 -9.8773 -3.8208 -3.8208 -3.8183 -3.8183 -2.1078 -2.1078 -2.0977 -2.0977 0.4179 0.4179 0.4433 0.4433 0.4812 0.4812 0.4875 0.4875 1.1512 1.1512 1.1583 1.1583 1.7659 1.7659 1.7713 1.7713 3.0460 3.0460 3.0486 3.0486 3.6038 3.6038 3.6073 3.6073 3.9234 3.9234 3.9256 3.9256 9.1147 9.1147 9.1251 9.1251 10.3487 10.3487 10.3576 10.3576 10.9707 10.9707 k =-0.4363 0.4119 0.5359 ( 4956 PWs) bands (ev): -12.7509 -12.7509 -12.7506 -12.7506 -11.2314 -11.2314 -11.2300 -11.2300 -9.8616 -9.8616 -9.8600 -9.8600 -3.8577 -3.8577 -3.8556 -3.8556 -2.0783 -2.0783 -2.0692 -2.0692 0.4250 0.4250 0.4461 0.4461 0.4929 0.4929 0.5002 0.5002 1.1359 1.1359 1.1417 1.1417 1.7777 1.7777 1.7825 1.7825 3.0329 3.0329 3.0351 3.0351 3.5971 3.5971 3.6002 3.6002 3.9393 3.9393 3.9412 3.9412 9.0982 9.0982 9.1074 9.1074 10.3619 10.3619 10.3697 10.3697 10.9948 10.9948 k =-0.4454 0.3972 0.5359 ( 4956 PWs) bands (ev): -12.7489 -12.7489 -12.7487 -12.7487 -11.2429 -11.2429 -11.2416 -11.2416 -9.8460 -9.8460 -9.8446 -9.8446 -3.8900 -3.8900 -3.8883 -3.8883 -2.0525 -2.0525 -2.0444 -2.0444 0.4309 0.4309 0.4481 0.4481 0.5050 0.5050 0.5129 0.5129 1.1209 1.1209 1.1254 1.1254 1.7886 1.7886 1.7929 1.7929 3.0209 3.0209 3.0228 3.0228 3.5913 3.5913 3.5940 3.5940 3.9536 3.9536 3.9553 3.9553 9.0835 9.0835 9.0915 9.0915 10.3756 10.3756 10.3821 10.3821 11.0170 11.0170 k =-0.4545 0.3824 0.5359 ( 4952 PWs) bands (ev): -12.7472 -12.7472 -12.7470 -12.7470 -11.2526 -11.2526 -11.2516 -11.2516 -9.8326 -9.8326 -9.8314 -9.8314 -3.9177 -3.9177 -3.9163 -3.9163 -2.0304 -2.0304 -2.0236 -2.0236 0.4358 0.4358 0.4495 0.4495 0.5172 0.5172 0.5249 0.5249 1.1066 1.1066 1.1100 1.1100 1.7985 1.7985 1.8022 1.8022 3.0103 3.0103 3.0119 3.0119 3.5864 3.5864 3.5887 3.5887 3.9661 3.9661 3.9675 3.9675 9.0708 9.0708 9.0775 9.0775 10.3889 10.3889 10.3943 10.3943 11.0367 11.0367 k =-0.4636 0.3677 0.5359 ( 4954 PWs) bands (ev): -12.7458 -12.7458 -12.7457 -12.7457 -11.2606 -11.2606 -11.2597 -11.2597 -9.8214 -9.8214 -9.8204 -9.8204 -3.9405 -3.9405 -3.9394 -3.9394 -2.0122 -2.0122 -2.0066 -2.0066 0.4398 0.4398 0.4504 0.4504 0.5287 0.5287 0.5356 0.5356 1.0937 1.0937 1.0962 1.0962 1.8070 1.8070 1.8100 1.8100 3.0013 3.0013 3.0026 3.0026 3.5824 3.5824 3.5842 3.5842 3.9767 3.9767 3.9778 3.9778 9.0603 9.0603 9.0657 9.0657 10.4013 10.4013 10.4056 10.4056 11.0536 11.0536 k =-0.4727 0.3530 0.5359 ( 4950 PWs) bands (ev): -12.7448 -12.7448 -12.7446 -12.7446 -11.2667 -11.2667 -11.2661 -11.2661 -9.8126 -9.8126 -9.8118 -9.8118 -3.9584 -3.9584 -3.9576 -3.9576 -1.9978 -1.9978 -1.9935 -1.9935 0.4431 0.4431 0.4508 0.4508 0.5389 0.5389 0.5446 0.5446 1.0828 1.0828 1.0845 1.0845 1.8140 1.8140 1.8163 1.8163 2.9942 2.9942 2.9952 2.9952 3.5794 3.5794 3.5808 3.5808 3.9851 3.9851 3.9859 3.9859 9.0521 9.0521 9.0562 9.0562 10.4121 10.4121 10.4152 10.4152 11.0672 11.0672 k =-0.4818 0.3382 0.5359 ( 4962 PWs) bands (ev): -12.7440 -12.7440 -12.7439 -12.7439 -11.2711 -11.2711 -11.2707 -11.2707 -9.8062 -9.8062 -9.8057 -9.8057 -3.9712 -3.9712 -3.9707 -3.9707 -1.9873 -1.9873 -1.9844 -1.9844 0.4457 0.4457 0.4507 0.4507 0.5471 0.5471 0.5511 0.5511 1.0746 1.0746 1.0755 1.0755 1.8193 1.8193 1.8208 1.8208 2.9890 2.9890 2.9897 2.9897 3.5772 3.5772 3.5782 3.5782 3.9912 3.9912 3.9918 3.9918 9.0463 9.0463 9.0491 9.0491 10.4205 10.4205 10.4226 10.4226 11.0772 11.0772 k =-0.4909 0.3235 0.5359 ( 4970 PWs) bands (ev): -12.7435 -12.7435 -12.7435 -12.7435 -11.2737 -11.2737 -11.2735 -11.2735 -9.8023 -9.8023 -9.8020 -9.8020 -3.9789 -3.9789 -3.9786 -3.9786 -1.9807 -1.9807 -1.9793 -1.9793 0.4477 0.4477 0.4502 0.4502 0.5527 0.5527 0.5548 0.5548 1.0694 1.0694 1.0699 1.0699 1.8226 1.8226 1.8234 1.8234 2.9859 2.9859 2.9862 2.9862 3.5761 3.5761 3.5765 3.5765 3.9950 3.9950 3.9952 3.9952 9.0431 9.0431 9.0445 9.0445 10.4261 10.4261 10.4271 10.4271 11.0834 11.0836 k =-0.5000 0.3088 0.5359 ( 4972 PWs) bands (ev): -12.7433 -12.7433 -12.7433 -12.7433 -11.2745 -11.2745 -11.2745 -11.2745 -9.8009 -9.8009 -9.8009 -9.8009 -3.9814 -3.9814 -3.9814 -3.9814 -1.9780 -1.9780 -1.9780 -1.9780 0.4492 0.4492 0.4492 0.4492 0.5553 0.5553 0.5553 0.5553 1.0678 1.0678 1.0678 1.0678 1.8240 1.8240 1.8240 1.8240 2.9850 2.9850 2.9850 2.9850 3.5758 3.5758 3.5758 3.5758 3.9963 3.9963 3.9963 3.9963 9.0425 9.0425 9.0425 9.0425 10.4283 10.4283 10.4283 10.4283 11.0856 11.0856 k =-0.5000 0.3088 0.5359 ( 4972 PWs) bands (ev): -12.7433 -12.7433 -12.7433 -12.7433 -11.2745 -11.2745 -11.2745 -11.2745 -9.8009 -9.8009 -9.8009 -9.8009 -3.9814 -3.9814 -3.9814 -3.9814 -1.9780 -1.9780 -1.9780 -1.9780 0.4492 0.4492 0.4492 0.4492 0.5553 0.5553 0.5553 0.5553 1.0678 1.0678 1.0678 1.0678 1.8240 1.8240 1.8240 1.8240 2.9850 2.9850 2.9850 2.9850 3.5758 3.5758 3.5758 3.5758 3.9963 3.9963 3.9963 3.9963 9.0425 9.0425 9.0425 9.0425 10.4283 10.4283 10.4283 10.4283 11.0856 11.0856 k =-0.5000 0.3088 0.5186 ( 4972 PWs) bands (ev): -12.7463 -12.7463 -12.7405 -12.7405 -11.3341 -11.3341 -11.2135 -11.2135 -9.8064 -9.8064 -9.7955 -9.7955 -3.9834 -3.9834 -3.9758 -3.9758 -2.0890 -2.0890 -1.8692 -1.8692 0.4363 0.4363 0.4512 0.4512 0.5087 0.5087 0.6079 0.6079 1.0171 1.0171 1.1200 1.1200 1.8148 1.8148 1.8314 1.8314 2.9697 2.9697 2.9987 2.9987 3.5696 3.5696 3.5839 3.5839 3.9878 3.9878 4.0059 4.0059 9.0393 9.0393 9.0533 9.0533 10.4129 10.4129 10.4356 10.4356 11.0411 11.0411 k =-0.5000 0.3088 0.5013 ( 4978 PWs) bands (ev): -12.7494 -12.7494 -12.7378 -12.7378 -11.3923 -11.3923 -11.1513 -11.1513 -9.8120 -9.8120 -9.7903 -9.7903 -3.9819 -3.9819 -3.9668 -3.9668 -2.2019 -2.2019 -1.7630 -1.7630 0.4150 0.4150 0.4304 0.4304 0.4817 0.4817 0.6618 0.6618 0.9687 0.9687 1.1733 1.1733 1.8033 1.8033 1.8374 1.8374 2.9531 2.9531 3.0111 3.0111 3.5653 3.5653 3.5935 3.5935 3.9804 3.9804 4.0165 4.0165 9.0437 9.0437 9.0717 9.0717 10.3889 10.3889 10.4357 10.4357 10.9986 10.9986 k =-0.5000 0.3088 0.4840 ( 4970 PWs) bands (ev): -12.7525 -12.7525 -12.7352 -12.7352 -11.4490 -11.4490 -11.0879 -11.0879 -9.8176 -9.8176 -9.7852 -9.7852 -3.9769 -3.9769 -3.9543 -3.9543 -2.3165 -2.3165 -1.6595 -1.6595 0.3791 0.3791 0.3982 0.3982 0.4701 0.4701 0.7140 0.7140 0.9250 0.9250 1.2273 1.2273 1.7895 1.7895 1.8425 1.8425 2.9353 2.9353 3.0221 3.0221 3.5628 3.5628 3.6044 3.6044 3.9743 3.9743 4.0280 4.0280 9.0555 9.0555 9.0976 9.0976 10.3560 10.3560 10.4297 10.4297 10.9584 10.9584 k =-0.5000 0.3088 0.4667 ( 4970 PWs) bands (ev): -12.7558 -12.7558 -12.7328 -12.7328 -11.5041 -11.5041 -11.0235 -11.0235 -9.8234 -9.8234 -9.7803 -9.7803 -3.9683 -3.9683 -3.9383 -3.9383 -2.4323 -2.4323 -1.5590 -1.5590 0.3333 0.3333 0.3669 0.3669 0.4570 0.4570 0.7558 0.7558 0.8943 0.8943 1.2819 1.2819 1.7733 1.7733 1.8475 1.8475 2.9166 2.9166 3.0319 3.0319 3.5619 3.5619 3.6161 3.6161 3.9694 3.9694 4.0403 4.0403 9.0744 9.0744 9.1307 9.1307 10.3144 10.3144 10.4184 10.4184 10.9207 10.9207 k =-0.5000 0.3088 0.4494 ( 4988 PWs) bands (ev): -12.7592 -12.7592 -12.7305 -12.7305 -11.5577 -11.5577 -10.9581 -10.9581 -9.8292 -9.8292 -9.7755 -9.7755 -3.9563 -3.9563 -3.9190 -3.9190 -2.5492 -2.5492 -1.4617 -1.4617 0.2865 0.2865 0.3321 0.3321 0.4382 0.4382 0.7640 0.7640 0.8996 0.8996 1.3369 1.3369 1.7547 1.7547 1.8528 1.8528 2.8973 2.8973 3.0409 3.0409 3.5624 3.5624 3.6281 3.6281 3.9659 3.9659 4.0533 4.0533 9.1000 9.1000 9.1708 9.1708 10.2646 10.2646 10.4030 10.4030 10.8860 10.8860 k =-0.5000 0.3088 0.4322 ( 4972 PWs) bands (ev): -12.7626 -12.7626 -12.7284 -12.7284 -11.6096 -11.6096 -10.8919 -10.8919 -9.8350 -9.8350 -9.7710 -9.7710 -3.9409 -3.9409 -3.8963 -3.8963 -2.6667 -2.6667 -1.3679 -1.3679 0.2406 0.2406 0.2931 0.2931 0.4126 0.4126 0.7370 0.7370 0.9424 0.9424 1.3921 1.3921 1.7339 1.7339 1.8593 1.8593 2.8777 2.8777 3.0493 3.0493 3.5639 3.5639 3.6399 3.6399 3.9639 3.9639 4.0669 4.0669 9.1321 9.1321 9.2174 9.2174 10.2076 10.2076 10.3843 10.3843 10.8544 10.8544 k =-0.5000 0.3088 0.4149 ( 4976 PWs) bands (ev): -12.7661 -12.7661 -12.7264 -12.7264 -11.6597 -11.6597 -10.8250 -10.8250 -9.8409 -9.8409 -9.7666 -9.7666 -3.9221 -3.9221 -3.8703 -3.8703 -2.7845 -2.7845 -1.2776 -1.2776 0.1960 0.1960 0.2499 0.2499 0.3799 0.3799 0.6983 0.6983 0.9990 0.9990 1.4473 1.4473 1.7114 1.7114 1.8673 1.8673 2.8582 2.8582 3.0572 3.0572 3.5660 3.5660 3.6510 3.6510 3.9633 3.9633 4.0810 4.0810 9.1699 9.1699 9.2701 9.2701 10.1444 10.1444 10.3630 10.3630 10.8264 10.8264 k =-0.5000 0.3088 0.3976 ( 4976 PWs) bands (ev): -12.7696 -12.7696 -12.7246 -12.7246 -11.7081 -11.7081 -10.7576 -10.7576 -9.8467 -9.8467 -9.7625 -9.7625 -3.9000 -3.9000 -3.8412 -3.8412 -2.9022 -2.9022 -1.1911 -1.1911 0.1528 0.1528 0.2027 0.2027 0.3402 0.3402 0.6571 0.6571 1.0600 1.0600 1.5022 1.5022 1.6876 1.6876 1.8774 1.8774 2.8391 2.8391 3.0649 3.0649 3.5685 3.5685 3.6608 3.6608 3.9641 3.9641 4.0955 4.0955 9.2128 9.2128 9.3283 9.3283 10.0760 10.0760 10.3399 10.3399 10.8024 10.8024 k =-0.5000 0.3088 0.3803 ( 4974 PWs) bands (ev): -12.7731 -12.7731 -12.7229 -12.7229 -11.7547 -11.7547 -10.6897 -10.6897 -9.8525 -9.8525 -9.7585 -9.7585 -3.8747 -3.8747 -3.8090 -3.8090 -3.0196 -3.0196 -1.1085 -1.1085 0.1108 0.1108 0.1518 0.1518 0.2937 0.2937 0.6158 0.6158 1.1230 1.1230 1.5562 1.5562 1.6632 1.6632 1.8898 1.8898 2.8205 2.8205 3.0725 3.0725 3.5711 3.5711 3.6690 3.6690 3.9665 3.9665 4.1104 4.1104 9.2601 9.2601 9.3915 9.3915 10.0037 10.0037 10.3155 10.3155 10.7826 10.7826 k =-0.5000 0.3088 0.3630 ( 4970 PWs) bands (ev): -12.7767 -12.7767 -12.7214 -12.7214 -11.7995 -11.7995 -10.6216 -10.6216 -9.8582 -9.8582 -9.7547 -9.7547 -3.8463 -3.8463 -3.7738 -3.7738 -3.1362 -3.1362 -1.0297 -1.0297 0.0693 0.0693 0.0981 0.0981 0.2409 0.2409 0.5752 0.5752 1.1868 1.1868 1.6050 1.6050 1.6430 1.6430 1.9047 1.9047 2.8027 2.8027 3.0801 3.0801 3.5736 3.5736 3.6753 3.6753 3.9703 3.9703 4.1254 4.1254 9.3111 9.3111 9.4589 9.4589 9.9283 9.9283 10.2902 10.2902 10.7677 10.7677 k =-0.5000 0.3088 0.3457 ( 4970 PWs) bands (ev): -12.7802 -12.7802 -12.7200 -12.7200 -11.8423 -11.8423 -10.5535 -10.5535 -9.8639 -9.8639 -9.7512 -9.7512 -3.8148 -3.8148 -3.7358 -3.7358 -3.2517 -3.2517 -0.9550 -0.9550 0.0241 0.0241 0.0459 0.0459 0.1823 0.1823 0.5357 0.5357 1.2507 1.2507 1.6046 1.6046 1.6711 1.6711 1.9221 1.9221 2.7859 2.7859 3.0878 3.0878 3.5757 3.5757 3.6793 3.6793 3.9756 3.9756 4.1406 4.1406 9.3646 9.3646 9.5299 9.5299 9.8509 9.8509 10.2645 10.2645 10.7580 10.7580 k =-0.5000 0.3088 0.3284 ( 4964 PWs) bands (ev): -12.7837 -12.7837 -12.7187 -12.7187 -11.8833 -11.8833 -10.4856 -10.4856 -9.8694 -9.8694 -9.7478 -9.7478 -3.7806 -3.7806 -3.6950 -3.6950 -3.3657 -3.3657 -0.8843 -0.8843 -0.0324 -0.0324 0.0030 0.0030 0.1187 0.1187 0.4975 0.4975 1.3142 1.3142 1.5807 1.5807 1.7221 1.7221 1.9419 1.9419 2.7700 2.7700 3.0957 3.0957 3.5774 3.5774 3.6810 3.6810 3.9824 3.9824 4.1557 4.1557 9.4198 9.4198 9.6037 9.6037 9.7723 9.7723 10.2388 10.2388 10.7541 10.7541 k =-0.5000 0.3088 0.3112 ( 4964 PWs) bands (ev): -12.7872 -12.7872 -12.7176 -12.7176 -11.9223 -11.9223 -10.4180 -10.4180 -9.8748 -9.8748 -9.7446 -9.7446 -3.7436 -3.7436 -3.6518 -3.6518 -3.4779 -3.4779 -0.8176 -0.8176 -0.0966 -0.0966 -0.0347 -0.0347 0.0515 0.0515 0.4609 0.4609 1.3768 1.3768 1.5559 1.5559 1.7737 1.7737 1.9640 1.9640 2.7551 2.7551 3.1037 3.1037 3.5785 3.5785 3.6801 3.6801 3.9905 3.9905 4.1708 4.1708 9.4755 9.4755 9.6794 9.6794 9.6934 9.6934 10.2132 10.2132 10.7566 10.7566 k =-0.5000 0.3088 0.2939 ( 4956 PWs) bands (ev): -12.7906 -12.7906 -12.7166 -12.7166 -11.9594 -11.9594 -10.3511 -10.3511 -9.8801 -9.8801 -9.7417 -9.7417 -3.7041 -3.7041 -3.6062 -3.6062 -3.5877 -3.5877 -0.7549 -0.7549 -0.1647 -0.1647 -0.0730 -0.0730 -0.0162 -0.0162 0.4258 0.4258 1.4376 1.4376 1.5322 1.5322 1.8244 1.8244 1.9882 1.9882 2.7413 2.7413 3.1120 3.1120 3.5790 3.5790 3.6766 3.6766 4.0000 4.0000 4.1857 4.1857 9.5306 9.5306 9.6148 9.6148 9.7565 9.7565 10.1881 10.1881 10.7660 10.7660 k =-0.5000 0.3088 0.2766 ( 4948 PWs) bands (ev): -12.7939 -12.7939 -12.7157 -12.7157 -11.9944 -11.9944 -10.2851 -10.2851 -9.8851 -9.8851 -9.7389 -9.7389 -3.6956 -3.6956 -3.6617 -3.6617 -3.5584 -3.5584 -0.6963 -0.6963 -0.2356 -0.2356 -0.1224 -0.1224 -0.0737 -0.0737 0.3924 0.3924 1.4887 1.4887 1.5177 1.5177 1.8738 1.8738 2.0142 2.0142 2.7286 2.7286 3.1203 3.1203 3.5789 3.5789 3.6705 3.6705 4.0106 4.0106 4.2003 4.2003 9.5363 9.5363 9.5848 9.5848 9.8339 9.8339 10.1637 10.1637 10.7827 10.7827 k =-0.5000 0.3088 0.2593 ( 4948 PWs) bands (ev): -12.7972 -12.7972 -12.7149 -12.7149 -12.0274 -12.0274 -10.2203 -10.2203 -9.8900 -9.8900 -9.7364 -9.7364 -3.7993 -3.7993 -3.6183 -3.6183 -3.5087 -3.5087 -0.6417 -0.6417 -0.3086 -0.3086 -0.1910 -0.1910 -0.1124 -0.1124 0.3608 0.3608 1.4809 1.4809 1.5613 1.5613 1.9217 1.9217 2.0417 2.0417 2.7169 2.7169 3.1289 3.1289 3.5783 3.5783 3.6618 3.6618 4.0223 4.0223 4.2146 4.2146 9.4603 9.4603 9.6353 9.6353 9.9109 9.9109 10.1402 10.1402 10.8073 10.8073 k =-0.5000 0.3088 0.2420 ( 4956 PWs) bands (ev): -12.8003 -12.8003 -12.7142 -12.7142 -12.0584 -12.0584 -10.1570 -10.1570 -9.8947 -9.8947 -9.7340 -9.7340 -3.8999 -3.8999 -3.5727 -3.5727 -3.4574 -3.4574 -0.5913 -0.5913 -0.3830 -0.3830 -0.2679 -0.2679 -0.1425 -0.1425 0.3309 0.3309 1.4608 1.4608 1.6163 1.6163 1.9678 1.9678 2.0705 2.0705 2.7063 2.7063 3.1376 3.1376 3.5771 3.5771 3.6507 3.6507 4.0349 4.0349 4.2284 4.2284 9.3861 9.3861 9.6825 9.6825 9.9865 9.9865 10.1180 10.1180 10.8398 10.8398 k =-0.5000 0.3088 0.2247 ( 4958 PWs) bands (ev): -12.8033 -12.8033 -12.7136 -12.7136 -12.0874 -12.0874 -10.0956 -10.0956 -9.8992 -9.8992 -9.7318 -9.7318 -3.9966 -3.9966 -3.5257 -3.5257 -3.4049 -3.4049 -0.5460 -0.5460 -0.4573 -0.4573 -0.3473 -0.3473 -0.1689 -0.1689 0.3027 0.3027 1.4413 1.4413 1.6697 1.6697 2.0120 2.0120 2.1000 2.1000 2.6966 2.6966 3.1465 3.1465 3.5755 3.5755 3.6373 3.6373 4.0483 4.0483 4.2416 4.2416 9.3145 9.3145 9.7254 9.7254 10.0582 10.0582 10.0990 10.0990 10.8802 10.8802 k =-0.5000 0.3088 0.2074 ( 4956 PWs) bands (ev): -12.8061 -12.8061 -12.7131 -12.7131 -12.1142 -12.1142 -10.0364 -10.0364 -9.9033 -9.9033 -9.7298 -9.7298 -4.0888 -4.0888 -3.4776 -3.4776 -3.3514 -3.3514 -0.5425 -0.5425 -0.4947 -0.4947 -0.4266 -0.4266 -0.1927 -0.1927 0.2765 0.2765 1.4231 1.4231 1.7205 1.7205 2.0539 2.0539 2.1300 2.1300 2.6879 2.6879 3.1556 3.1556 3.5735 3.5735 3.6218 3.6218 4.0621 4.0621 4.2542 4.2542 9.2459 9.2459 9.7638 9.7638 10.0731 10.0731 10.1354 10.1354 10.9281 10.9281 k =-0.5000 0.3088 0.1902 ( 4956 PWs) bands (ev): -12.8088 -12.8088 -12.7126 -12.7126 -12.1390 -12.1390 -9.9798 -9.9798 -9.9072 -9.9072 -9.7280 -9.7280 -4.1762 -4.1762 -3.4290 -3.4290 -3.2975 -3.2975 -0.6144 -0.6144 -0.5096 -0.5096 -0.4557 -0.4557 -0.2145 -0.2145 0.2521 0.2521 1.4064 1.4064 1.7683 1.7683 2.0934 2.0934 2.1601 2.1601 2.6801 2.6801 3.1649 3.1649 3.5712 3.5712 3.6045 3.6045 4.0763 4.0763 4.2662 4.2662 9.1809 9.1809 9.7974 9.7974 10.0556 10.0556 10.2024 10.2024 10.9828 10.9828 k =-0.5000 0.3088 0.1729 ( 4960 PWs) bands (ev): -12.8113 -12.8113 -12.7123 -12.7123 -12.1616 -12.1616 -9.9266 -9.9266 -9.9104 -9.9104 -9.7263 -9.7263 -4.2582 -4.2582 -3.3803 -3.3803 -3.2436 -3.2436 -0.6888 -0.6888 -0.5863 -0.5863 -0.4216 -0.4216 -0.2342 -0.2342 0.2296 0.2296 1.3912 1.3912 1.8128 1.8128 2.1303 2.1303 2.1899 2.1899 2.6731 2.6731 3.1744 3.1744 3.5687 3.5687 3.5855 3.5855 4.0905 4.0905 4.2773 4.2773 9.1198 9.1198 9.8264 9.8264 10.0385 10.0385 10.2665 10.2665 11.0432 11.0432 k =-0.5000 0.3088 0.1556 ( 4956 PWs) bands (ev): -12.8136 -12.8136 -12.7120 -12.7120 -12.1822 -12.1822 -9.9146 -9.9146 -9.8755 -9.8755 -9.7248 -9.7248 -4.3344 -4.3344 -3.3321 -3.3321 -3.1904 -3.1904 -0.7618 -0.7618 -0.6615 -0.6615 -0.3895 -0.3895 -0.2520 -0.2520 0.2090 0.2090 1.3776 1.3776 1.8537 1.8537 2.1643 2.1643 2.2189 2.2189 2.6670 2.6670 3.1842 3.1842 3.5642 3.5642 3.5672 3.5672 4.1045 4.1045 4.2876 4.2876 9.0632 9.0632 9.8510 9.8510 10.0229 10.0229 10.3264 10.3264 11.1081 11.1081 k =-0.5000 0.3088 0.1383 ( 4958 PWs) bands (ev): -12.8156 -12.8156 -12.7117 -12.7117 -12.2006 -12.2006 -9.9175 -9.9175 -9.8293 -9.8293 -9.7234 -9.7234 -4.4042 -4.4042 -3.2853 -3.2853 -3.1386 -3.1386 -0.8321 -0.8321 -0.7333 -0.7333 -0.3607 -0.3607 -0.2678 -0.2678 0.1904 0.1904 1.3655 1.3655 1.8908 1.8908 2.1953 2.1953 2.2468 2.2468 2.6616 2.6616 3.1942 3.1942 3.5439 3.5439 3.5637 3.5637 4.1180 4.1180 4.2970 4.2970 9.0112 9.0112 9.8715 9.8715 10.0089 10.0089 10.3813 10.3813 11.1758 11.1758 k =-0.5000 0.3088 0.1210 ( 4964 PWs) bands (ev): -12.8175 -12.8175 -12.7115 -12.7115 -12.2168 -12.2168 -9.9201 -9.9201 -9.7873 -9.7873 -9.7219 -9.7219 -4.4672 -4.4672 -3.2404 -3.2404 -3.0889 -3.0889 -0.8986 -0.8986 -0.8006 -0.8006 -0.3352 -0.3352 -0.2817 -0.2817 0.1738 0.1738 1.3549 1.3549 1.9239 1.9239 2.2232 2.2232 2.2729 2.2729 2.6569 2.6569 3.2044 3.2044 3.5224 3.5224 3.5612 3.5612 4.1307 4.1307 4.3054 4.3054 8.9645 8.9645 9.8884 9.8884 9.9966 9.9966 10.4309 10.4309 11.2449 11.2449 k =-0.5000 0.3088 0.1037 ( 4956 PWs) bands (ev): -12.8192 -12.8192 -12.7113 -12.7113 -12.2309 -12.2309 -9.9225 -9.9225 -9.7507 -9.7507 -9.7199 -9.7199 -4.5229 -4.5229 -3.1985 -3.1985 -3.0424 -3.0424 -0.9601 -0.9601 -0.8624 -0.8624 -0.3133 -0.3133 -0.2935 -0.2935 0.1593 0.1593 1.3458 1.3458 1.9530 1.9530 2.2477 2.2477 2.2969 2.2969 2.6530 2.6530 3.2149 3.2149 3.5007 3.5007 3.5588 3.5588 4.1424 4.1424 4.3128 4.3128 8.9232 8.9232 9.9019 9.9019 9.9863 9.9863 10.4747 10.4747 11.3132 11.3132 k =-0.5000 0.3088 0.0864 ( 4964 PWs) bands (ev): -12.8206 -12.8206 -12.7112 -12.7112 -12.2429 -12.2429 -9.9245 -9.9245 -9.7264 -9.7264 -9.7107 -9.7107 -4.5709 -4.5709 -3.1606 -3.1606 -3.0001 -3.0001 -1.0154 -1.0154 -0.9174 -0.9174 -0.3053 -0.3053 -0.2930 -0.2930 0.1468 0.1468 1.3381 1.3381 1.9778 1.9778 2.2687 2.2687 2.3183 2.3183 2.6497 2.6497 3.2255 3.2255 3.4797 3.4797 3.5567 3.5567 4.1528 4.1528 4.3192 4.3192 8.8877 8.8877 9.9123 9.9123 9.9780 9.9780 10.5124 10.5124 11.3786 11.3786 k =-0.5000 0.3088 0.0691 ( 4960 PWs) bands (ev): -12.8217 -12.8217 -12.7111 -12.7111 -12.2527 -12.2527 -9.9262 -9.9262 -9.7221 -9.7221 -9.6872 -9.6872 -4.6107 -4.6107 -3.1276 -3.1276 -2.9632 -2.9632 -1.0632 -1.0632 -0.9645 -0.9645 -0.3130 -0.3130 -0.2781 -0.2781 0.1365 0.1365 1.3319 1.3319 1.9982 1.9982 2.2861 2.2861 2.3365 2.3365 2.6470 2.6470 3.2359 3.2359 3.4599 3.4599 3.5549 3.5549 4.1617 4.1617 4.3244 4.3244 8.8582 8.8582 9.9197 9.9197 9.9719 9.9719 10.5436 10.5436 11.4386 11.4386 k =-0.5000 0.3088 0.0519 ( 4952 PWs) bands (ev): -12.8227 -12.8227 -12.7110 -12.7110 -12.2603 -12.2603 -9.9275 -9.9275 -9.7209 -9.7209 -9.6662 -9.6662 -4.6421 -4.6421 -3.1005 -3.1005 -2.9328 -2.9328 -1.1021 -1.1021 -1.0027 -1.0027 -0.3194 -0.3194 -0.2662 -0.2662 0.1284 0.1284 1.3271 1.3271 2.0141 2.0141 2.2997 2.2997 2.3513 2.3513 2.6450 2.6450 3.2458 3.2458 3.4423 3.4423 3.5534 3.5534 4.1688 4.1688 4.3285 4.3285 8.8351 8.8351 9.9244 9.9244 9.9679 9.9679 10.5682 10.5682 11.4903 11.4903 k =-0.5000 0.3088 0.0346 ( 4952 PWs) bands (ev): -12.8233 -12.8233 -12.7110 -12.7110 -12.2657 -12.2657 -9.9284 -9.9284 -9.7203 -9.7203 -9.6509 -9.6509 -4.6648 -4.6648 -3.0804 -3.0804 -2.9101 -2.9101 -1.1310 -1.1310 -1.0308 -1.0308 -0.3240 -0.3240 -0.2576 -0.2576 0.1226 0.1226 1.3237 1.3237 2.0255 2.0255 2.3095 2.3095 2.3621 2.3621 2.6436 2.6436 3.2542 3.2542 3.4280 3.4280 3.5523 3.5523 4.1740 4.1740 4.3315 4.3315 8.8184 8.8184 9.9269 9.9269 9.9659 9.9659 10.5859 10.5859 11.5301 11.5301 k =-0.5000 0.3088 0.0173 ( 4952 PWs) bands (ev): -12.8237 -12.8237 -12.7110 -12.7110 -12.2690 -12.2690 -9.9289 -9.9289 -9.7200 -9.7200 -9.6415 -9.6415 -4.6785 -4.6785 -3.0680 -3.0680 -2.8961 -2.8961 -1.1487 -1.1487 -1.0480 -1.0480 -0.3268 -0.3268 -0.2524 -0.2524 0.1191 0.1191 1.3217 1.3217 2.0324 2.0324 2.3154 2.3154 2.3687 2.3687 2.6427 2.6427 3.2600 3.2600 3.4185 3.4185 3.5516 3.5516 4.1772 4.1772 4.3333 4.3333 8.8084 8.8084 9.9279 9.9279 9.9650 9.9650 10.5966 10.5966 11.5420 11.5420 k =-0.5000 0.3088 0.0000 ( 4960 PWs) bands (ev): -12.8238 -12.8238 -12.7109 -12.7109 -12.2701 -12.2701 -9.9291 -9.9291 -9.7199 -9.7199 -9.6384 -9.6384 -4.6830 -4.6830 -3.0638 -3.0638 -2.8913 -2.8913 -1.1548 -1.1548 -1.0538 -1.0538 -0.3277 -0.3277 -0.2507 -0.2507 0.1179 0.1179 1.3210 1.3210 2.0347 2.0347 2.3174 2.3174 2.3709 2.3709 2.6424 2.6424 3.2622 3.2622 3.4151 3.4151 3.5514 3.5514 4.1783 4.1783 4.3339 4.3339 8.8050 8.8050 9.9282 9.9282 9.9648 9.9648 10.6001 10.6001 11.5398 11.5398 k = 0.0000 0.0000 0.5359 ( 4944 PWs) bands (ev): -13.0055 -13.0055 -13.0055 -13.0055 -10.7772 -10.7772 -10.7772 -10.7772 -9.7800 -9.7800 -9.7800 -9.7800 -4.7371 -4.7371 -4.7371 -4.7371 -1.4566 -1.4566 -1.4566 -1.4566 -0.1147 -0.1147 -0.1147 -0.1147 0.1834 0.1834 0.1834 0.1834 1.2840 1.2840 1.2840 1.2840 2.2700 2.2700 2.2700 2.2700 3.2743 3.2743 3.2743 3.2743 3.8968 3.8968 3.8968 3.8968 4.1027 4.1027 4.1027 4.1027 8.8973 8.8973 8.8973 8.8973 9.2511 9.2511 9.2511 9.2511 11.5669 11.5669 k =-0.0147 0.0091 0.5359 ( 4934 PWs) bands (ev): -13.0051 -13.0051 -13.0050 -13.0050 -10.7783 -10.7783 -10.7781 -10.7781 -9.7801 -9.7801 -9.7797 -9.7797 -4.7361 -4.7361 -4.7354 -4.7354 -1.4579 -1.4579 -1.4571 -1.4571 -0.1158 -0.1158 -0.1126 -0.1126 0.1839 0.1839 0.1859 0.1859 1.2826 1.2826 1.2837 1.2837 2.2703 2.2703 2.2712 2.2712 3.2731 3.2731 3.2739 3.2739 3.8883 3.8883 3.8911 3.8911 4.1066 4.1066 4.1084 4.1084 8.8981 8.8981 8.9010 8.9010 9.2503 9.2503 9.2525 9.2525 11.5669 11.5669 k =-0.0294 0.0182 0.5359 ( 4930 PWs) bands (ev): -13.0037 -13.0037 -13.0035 -13.0035 -10.7816 -10.7816 -10.7812 -10.7812 -9.7802 -9.7802 -9.7795 -9.7795 -4.7324 -4.7324 -4.7310 -4.7310 -1.4611 -1.4611 -1.4594 -1.4594 -0.1156 -0.1156 -0.1094 -0.1094 0.1873 0.1873 0.1911 0.1911 1.2795 1.2795 1.2817 1.2817 2.2718 2.2718 2.2736 2.2736 3.2706 3.2706 3.2721 3.2721 3.8676 3.8676 3.8727 3.8727 4.1185 4.1185 4.1217 4.1217 8.9035 8.9035 8.9093 8.9093 9.2500 9.2500 9.2546 9.2546 11.5681 11.5681 k =-0.0441 0.0272 0.5359 ( 4930 PWs) bands (ev): -13.0015 -13.0015 -13.0012 -13.0012 -10.7868 -10.7868 -10.7862 -10.7862 -9.7803 -9.7803 -9.7792 -9.7792 -4.7261 -4.7261 -4.7240 -4.7240 -1.4661 -1.4661 -1.4636 -1.4636 -0.1142 -0.1142 -0.1051 -0.1051 0.1936 0.1936 0.1992 0.1992 1.2748 1.2748 1.2781 1.2781 2.2746 2.2746 2.2773 2.2773 3.2665 3.2665 3.2688 3.2688 3.8385 3.8385 3.8453 3.8453 4.1350 4.1350 4.1388 4.1388 8.9131 8.9131 8.9218 8.9218 9.2505 9.2505 9.2574 9.2574 11.5706 11.5706 k =-0.0588 0.0363 0.5359 ( 4928 PWs) bands (ev): -12.9984 -12.9984 -12.9980 -12.9980 -10.7941 -10.7941 -10.7933 -10.7933 -9.7804 -9.7804 -9.7789 -9.7789 -4.7171 -4.7171 -4.7144 -4.7144 -1.4729 -1.4729 -1.4696 -1.4696 -0.1116 -0.1116 -0.0998 -0.0998 0.2028 0.2028 0.2099 0.2099 1.2684 1.2684 1.2728 1.2728 2.2784 2.2784 2.2821 2.2821 3.2611 3.2611 3.2641 3.2641 3.8043 3.8043 3.8123 3.8123 4.1529 4.1529 4.1570 4.1570 8.9266 8.9266 8.9382 8.9382 9.2520 9.2520 9.2613 9.2613 11.5741 11.5741 k =-0.0735 0.0454 0.5359 ( 4932 PWs) bands (ev): -12.9944 -12.9944 -12.9939 -12.9939 -10.8032 -10.8032 -10.8023 -10.8023 -9.7805 -9.7805 -9.7787 -9.7787 -4.7056 -4.7056 -4.7022 -4.7022 -1.4814 -1.4814 -1.4775 -1.4775 -0.1075 -0.1075 -0.0934 -0.0934 0.2148 0.2148 0.2232 0.2232 1.2604 1.2604 1.2660 1.2660 2.2828 2.2828 2.2875 2.2875 3.2542 3.2542 3.2581 3.2581 3.7669 3.7669 3.7760 3.7760 4.1704 4.1704 4.1746 4.1746 8.9432 8.9432 8.9578 8.9578 9.2549 9.2549 9.2667 9.2667 11.5784 11.5784 k =-0.0882 0.0545 0.5359 ( 4932 PWs) bands (ev): -12.9895 -12.9895 -12.9890 -12.9890 -10.8142 -10.8142 -10.8131 -10.8131 -9.7805 -9.7805 -9.7784 -9.7784 -4.6915 -4.6915 -4.6875 -4.6875 -1.4917 -1.4917 -1.4871 -1.4871 -0.1020 -0.1020 -0.0859 -0.0859 0.2295 0.2295 0.2389 0.2389 1.2508 1.2508 1.2576 1.2576 2.2875 2.2875 2.2934 2.2934 3.2461 3.2461 3.2507 3.2507 3.7278 3.7278 3.7378 3.7378 4.1864 4.1864 4.1907 4.1907 8.9621 8.9621 8.9796 8.9796 9.2601 9.2601 9.2744 9.2744 11.5832 11.5832 k =-0.1029 0.0636 0.5359 ( 4936 PWs) bands (ev): -12.9838 -12.9838 -12.9832 -12.9832 -10.8270 -10.8270 -10.8257 -10.8257 -9.7806 -9.7806 -9.7782 -9.7782 -4.6750 -4.6750 -4.6704 -4.6704 -1.5035 -1.5035 -1.4984 -1.4984 -0.0950 -0.0950 -0.0773 -0.0773 0.2468 0.2468 0.2571 0.2571 1.2397 1.2397 1.2477 1.2477 2.2921 2.2921 2.2991 2.2991 3.2367 3.2367 3.2422 3.2422 3.6881 3.6881 3.6989 3.6989 4.2005 4.2005 4.2046 4.2046 8.9822 8.9822 9.0023 9.0023 9.2684 9.2684 9.2850 9.2850 11.5881 11.5881 k =-0.1176 0.0727 0.5359 ( 4940 PWs) bands (ev): -12.9773 -12.9773 -12.9766 -12.9766 -10.8414 -10.8414 -10.8400 -10.8400 -9.7807 -9.7807 -9.7781 -9.7781 -4.6562 -4.6562 -4.6509 -4.6509 -1.5170 -1.5170 -1.5115 -1.5115 -0.0865 -0.0865 -0.0676 -0.0676 0.2666 0.2666 0.2775 0.2775 1.2270 1.2270 1.2362 1.2362 2.2961 2.2961 2.3043 2.3043 3.2264 3.2264 3.2327 3.2327 3.6488 3.6488 3.6602 3.6602 4.2121 4.2121 4.2162 4.2162 9.0022 9.0022 9.0245 9.0245 9.2810 9.2810 9.2996 9.2996 11.5928 11.5928 k =-0.1324 0.0817 0.5359 ( 4924 PWs) bands (ev): -12.9700 -12.9700 -12.9692 -12.9692 -10.8572 -10.8572 -10.8557 -10.8557 -9.7809 -9.7809 -9.7781 -9.7781 -4.6350 -4.6350 -4.6293 -4.6293 -1.5319 -1.5319 -1.5261 -1.5261 -0.0765 -0.0765 -0.0568 -0.0568 0.2888 0.2888 0.3001 0.3001 1.2129 1.2129 1.2234 1.2234 2.2987 2.2987 2.3083 2.3083 3.2153 3.2153 3.2225 3.2225 3.6105 3.6105 3.6224 3.6224 4.2213 4.2213 4.2254 4.2254 9.0209 9.0209 9.0445 9.0445 9.2994 9.2994 9.3193 9.3193 11.5967 11.5967 k =-0.1471 0.0908 0.5359 ( 4922 PWs) bands (ev): -12.9620 -12.9620 -12.9611 -12.9611 -10.8745 -10.8745 -10.8729 -10.8729 -9.7811 -9.7811 -9.7781 -9.7781 -4.6118 -4.6118 -4.6055 -4.6055 -1.5483 -1.5483 -1.5422 -1.5422 -0.0651 -0.0651 -0.0448 -0.0448 0.3133 0.3133 0.3247 0.3247 1.1972 1.1972 1.2091 1.2091 2.2996 2.2996 2.3105 2.3105 3.2038 3.2038 3.2120 3.2120 3.5738 3.5738 3.5861 3.5861 4.2279 4.2279 4.2319 4.2319 9.0371 9.0371 9.0610 9.0610 9.3243 9.3243 9.3447 9.3447 11.5995 11.5995 k =-0.1618 0.0999 0.5359 ( 4922 PWs) bands (ev): -12.9532 -12.9532 -12.9523 -12.9523 -10.8930 -10.8930 -10.8913 -10.8913 -9.7815 -9.7815 -9.7784 -9.7784 -4.5865 -4.5865 -4.5798 -4.5798 -1.5660 -1.5660 -1.5597 -1.5597 -0.0522 -0.0522 -0.0317 -0.0317 0.3399 0.3399 0.3514 0.3514 1.1802 1.1802 1.1935 1.1935 2.2979 2.2979 2.3103 2.3103 3.1925 3.1925 3.2015 3.2015 3.5394 3.5394 3.5519 3.5519 4.2320 4.2320 4.2360 4.2360 9.0501 9.0501 9.0732 9.0732 9.3560 9.3560 9.3762 9.3762 11.6007 11.6007 k =-0.1765 0.1090 0.5359 ( 4926 PWs) bands (ev): -12.9438 -12.9438 -12.9428 -12.9428 -10.9125 -10.9125 -10.9108 -10.9108 -9.7819 -9.7819 -9.7787 -9.7787 -4.5594 -4.5594 -4.5523 -4.5523 -1.5849 -1.5849 -1.5785 -1.5785 -0.0380 -0.0380 -0.0175 -0.0175 0.3685 0.3685 0.3800 0.3800 1.1617 1.1617 1.1765 1.1765 2.2932 2.2932 2.3070 2.3070 3.1816 3.1816 3.1915 3.1915 3.5075 3.5075 3.5201 3.5201 4.2336 4.2336 4.2376 4.2376 9.0598 9.0598 9.0815 9.0815 9.3941 9.3941 9.4137 9.4137 11.5999 11.5999 k =-0.1912 0.1181 0.5359 ( 4926 PWs) bands (ev): -12.9339 -12.9339 -12.9328 -12.9328 -10.9330 -10.9330 -10.9312 -10.9312 -9.7825 -9.7825 -9.7792 -9.7792 -4.5306 -4.5306 -4.5231 -4.5231 -1.6049 -1.6049 -1.5985 -1.5985 -0.0226 -0.0226 -0.0023 -0.0023 0.3989 0.3989 0.4103 0.4103 1.1419 1.1419 1.1582 1.1582 2.2850 2.2850 2.3002 2.3002 3.1719 3.1719 3.1825 3.1825 3.4785 3.4785 3.4909 3.4909 4.2329 4.2329 4.2370 4.2370 9.0665 9.0665 9.0863 9.0863 9.4375 9.4375 9.4565 9.4565 11.5968 11.5968 k =-0.2059 0.1271 0.5359 ( 4930 PWs) bands (ev): -12.9233 -12.9233 -12.9222 -12.9222 -10.9542 -10.9542 -10.9524 -10.9524 -9.7832 -9.7832 -9.7798 -9.7798 -4.5002 -4.5002 -4.4924 -4.4924 -1.6258 -1.6258 -1.6195 -1.6195 -0.0059 -0.0059 0.0139 0.0139 0.4309 0.4309 0.4424 0.4424 1.1208 1.1208 1.1386 1.1386 2.2729 2.2729 2.2895 2.2895 3.1634 3.1634 3.1747 3.1747 3.4527 3.4527 3.4648 3.4648 4.2300 4.2300 4.2341 4.2341 9.0706 9.0706 9.0886 9.0886 9.4851 9.4851 9.5038 9.5038 11.5909 11.5909 k =-0.2206 0.1362 0.5359 ( 4942 PWs) bands (ev): -12.9123 -12.9123 -12.9112 -12.9112 -10.9761 -10.9761 -10.9742 -10.9742 -9.7840 -9.7840 -9.7806 -9.7806 -4.4685 -4.4685 -4.4605 -4.4605 -1.6476 -1.6476 -1.6414 -1.6414 0.0118 0.0118 0.0311 0.0311 0.4644 0.4644 0.4761 0.4761 1.0983 1.0983 1.1177 1.1177 2.2569 2.2569 2.2747 2.2747 3.1565 3.1565 3.1681 3.1681 3.4305 3.4305 3.4419 3.4419 4.2249 4.2249 4.2291 4.2291 9.0726 9.0726 9.0889 9.0889 9.5360 9.5360 9.5547 9.5547 11.5822 11.5822 k =-0.2353 0.1453 0.5359 ( 4942 PWs) bands (ev): -12.9009 -12.9009 -12.8997 -12.8997 -10.9984 -10.9984 -10.9965 -10.9965 -9.7849 -9.7849 -9.7815 -9.7815 -4.4358 -4.4358 -4.4275 -4.4275 -1.6701 -1.6701 -1.6640 -1.6640 0.0305 0.0305 0.0492 0.0492 0.4992 0.4992 0.5112 0.5112 1.0746 1.0746 1.0957 1.0957 2.2371 2.2371 2.2560 2.2560 3.1508 3.1508 3.1624 3.1624 3.4120 3.4120 3.4227 3.4227 4.2179 4.2179 4.2223 4.2223 9.0731 9.0731 9.0879 9.0879 9.5893 9.5893 9.6084 9.6084 11.5704 11.5704 k =-0.2500 0.1544 0.5359 ( 4942 PWs) bands (ev): -12.8892 -12.8892 -12.8880 -12.8880 -11.0209 -11.0209 -11.0190 -11.0190 -9.7859 -9.7859 -9.7826 -9.7826 -4.4021 -4.4021 -4.3937 -4.3937 -1.6932 -1.6932 -1.6873 -1.6873 0.0501 0.0501 0.0681 0.0681 0.5348 0.5348 0.5475 0.5475 1.0497 1.0497 1.0726 1.0726 2.2137 2.2137 2.2337 2.2337 3.1459 3.1459 3.1572 3.1572 3.3979 3.3979 3.4075 3.4075 4.2092 4.2092 4.2136 4.2136 9.0725 9.0725 9.0859 9.0859 9.6443 9.6443 9.6641 9.6641 11.5554 11.5554 k =-0.2647 0.1635 0.5359 ( 4946 PWs) bands (ev): -12.8773 -12.8773 -12.8760 -12.8760 -11.0435 -11.0435 -11.0416 -11.0416 -9.7870 -9.7870 -9.7838 -9.7838 -4.3678 -4.3678 -4.3593 -4.3593 -1.7167 -1.7167 -1.7110 -1.7110 0.0706 0.0706 0.0879 0.0879 0.5712 0.5712 0.5848 0.5848 1.0238 1.0238 1.0484 1.0484 2.1873 2.1873 2.2082 2.2082 3.1408 3.1408 3.1516 3.1516 3.3885 3.3885 3.3970 3.3970 4.1988 4.1988 4.2034 4.2034 9.0710 9.0710 9.0832 9.0832 9.7006 9.7006 9.7212 9.7212 11.5371 11.5371 k =-0.2794 0.1725 0.5359 ( 4946 PWs) bands (ev): -12.8652 -12.8652 -12.8639 -12.8639 -11.0661 -11.0661 -11.0642 -11.0642 -9.7881 -9.7881 -9.7850 -9.7850 -4.3330 -4.3330 -4.3246 -4.3246 -1.7404 -1.7404 -1.7349 -1.7349 0.0918 0.0918 0.1084 0.1084 0.6078 0.6078 0.6229 0.6229 0.9970 0.9970 1.0236 1.0236 2.1585 2.1585 2.1800 2.1800 3.1347 3.1347 3.1449 3.1449 3.3843 3.3843 3.3916 3.3916 4.1870 4.1870 4.1917 4.1917 9.0689 9.0689 9.0800 9.0800 9.7577 9.7577 9.7792 9.7792 11.5155 11.5155 k =-0.2941 0.1816 0.5359 ( 4952 PWs) bands (ev): -12.8530 -12.8530 -12.8518 -12.8518 -11.0883 -11.0883 -11.0865 -11.0865 -9.7893 -9.7893 -9.7864 -9.7864 -4.2982 -4.2982 -4.2898 -4.2898 -1.7641 -1.7641 -1.7589 -1.7589 0.1137 0.1137 0.1297 0.1297 0.6442 0.6442 0.6612 0.6612 0.9694 0.9694 0.9982 0.9982 2.1279 2.1279 2.1500 2.1500 3.1270 3.1270 3.1364 3.1364 3.3852 3.3852 3.3916 3.3916 4.1738 4.1738 4.1788 4.1788 9.0665 9.0665 9.0766 9.0766 9.8152 9.8152 9.8376 9.8376 11.4907 11.4907 k =-0.3088 0.1907 0.5359 ( 4960 PWs) bands (ev): -12.8409 -12.8409 -12.8397 -12.8397 -11.1101 -11.1101 -11.1084 -11.1084 -9.7906 -9.7906 -9.7878 -9.7878 -4.2636 -4.2636 -4.2553 -4.2553 -1.7877 -1.7877 -1.7827 -1.7827 0.1362 0.1362 0.1518 0.1518 0.6795 0.6795 0.6991 0.6991 0.9417 0.9417 0.9730 0.9730 2.0962 2.0962 2.1187 2.1187 3.1172 3.1172 3.1260 3.1260 3.3910 3.3910 3.3969 3.3969 4.1597 4.1597 4.1647 4.1647 9.0638 9.0638 9.0731 9.0731 9.8727 9.8727 9.8961 9.8961 11.4627 11.4627 k =-0.3235 0.1998 0.5359 ( 4958 PWs) bands (ev): -12.8290 -12.8290 -12.8278 -12.8278 -11.1313 -11.1313 -11.1296 -11.1296 -9.7919 -9.7919 -9.7892 -9.7892 -4.2294 -4.2294 -4.2214 -4.2214 -1.8110 -1.8110 -1.8063 -1.8063 0.1594 0.1594 0.1745 0.1745 0.7123 0.7123 0.7357 0.7357 0.9147 0.9147 0.9491 0.9491 2.0640 2.0640 2.0868 2.0868 3.1056 3.1056 3.1139 3.1139 3.4011 3.4011 3.4068 3.4068 4.1446 4.1446 4.1498 4.1498 9.0610 9.0610 9.0695 9.0695 9.9300 9.9300 9.9542 9.9542 11.4317 11.4317 k =-0.3382 0.2089 0.5359 ( 4958 PWs) bands (ev): -12.8174 -12.8174 -12.8162 -12.8162 -11.1517 -11.1517 -11.1501 -11.1501 -9.7931 -9.7931 -9.7906 -9.7906 -4.1961 -4.1961 -4.1884 -4.1884 -1.8336 -1.8336 -1.8292 -1.8292 0.1830 0.1830 0.1980 0.1980 0.7400 0.7400 0.7682 0.7682 0.8909 0.8909 0.9289 0.9289 2.0320 2.0320 2.0548 2.0548 3.0924 3.0924 3.1003 3.1003 3.4147 3.4147 3.4204 3.4204 4.1288 4.1288 4.1341 4.1341 9.0583 9.0583 9.0660 9.0660 9.9867 9.9867 10.0117 10.0117 11.3981 11.3981 k =-0.3529 0.2180 0.5359 ( 4958 PWs) bands (ev): -12.8062 -12.8062 -12.8051 -12.8051 -11.1711 -11.1711 -11.1695 -11.1695 -9.7944 -9.7944 -9.7920 -9.7920 -4.1640 -4.1640 -4.1566 -4.1566 -1.8555 -1.8555 -1.8514 -1.8514 0.2072 0.2072 0.2222 0.2222 0.7573 0.7573 0.7889 0.7889 0.8781 0.8781 0.9170 0.9170 2.0006 2.0006 2.0232 2.0232 3.0783 3.0783 3.0858 3.0858 3.4310 3.4310 3.4368 3.4368 4.1125 4.1125 4.1178 4.1178 9.0556 9.0556 9.0625 9.0625 10.0425 10.0425 10.0682 10.0682 11.3623 11.3623 k =-0.3676 0.2270 0.5359 ( 4960 PWs) bands (ev): -12.7955 -12.7955 -12.7945 -12.7945 -11.1893 -11.1893 -11.1878 -11.1878 -9.7955 -9.7955 -9.7934 -9.7934 -4.1333 -4.1333 -4.1264 -4.1264 -1.8764 -1.8764 -1.8726 -1.8726 0.2319 0.2319 0.2471 0.2471 0.7583 0.7583 0.7864 0.7864 0.8877 0.8877 0.9189 0.9189 1.9705 1.9705 1.9925 1.9925 3.0639 3.0639 3.0708 3.0708 3.4492 3.4492 3.4550 3.4550 4.0960 4.0960 4.1013 4.1013 9.0530 9.0530 9.0593 9.0593 10.0972 10.0972 10.1233 10.1233 11.3249 11.3249 k =-0.3824 0.2361 0.5359 ( 4960 PWs) bands (ev): -12.7856 -12.7856 -12.7846 -12.7846 -11.2061 -11.2061 -11.2048 -11.2048 -9.7966 -9.7966 -9.7947 -9.7947 -4.1045 -4.1045 -4.0981 -4.0981 -1.8960 -1.8960 -1.8925 -1.8925 0.2572 0.2572 0.2726 0.2726 0.7433 0.7433 0.7668 0.7668 0.9129 0.9129 0.9344 0.9344 1.9419 1.9419 1.9631 1.9631 3.0496 3.0496 3.0560 3.0560 3.4684 3.4684 3.4741 3.4741 4.0795 4.0795 4.0847 4.0847 9.0507 9.0507 9.0562 9.0562 10.1503 10.1503 10.1765 10.1765 11.2865 11.2865 k =-0.3971 0.2452 0.5359 ( 4960 PWs) bands (ev): -12.7764 -12.7764 -12.7755 -12.7755 -11.2214 -11.2214 -11.2203 -11.2203 -9.7977 -9.7977 -9.7960 -9.7960 -4.0780 -4.0780 -4.0722 -4.0722 -1.9140 -1.9140 -1.9109 -1.9109 0.2829 0.2829 0.2987 0.2987 0.7190 0.7190 0.7409 0.7409 0.9419 0.9419 0.9572 0.9572 1.9155 1.9155 1.9355 1.9355 3.0358 3.0358 3.0416 3.0416 3.4880 3.4880 3.4935 3.4935 4.0633 4.0633 4.0684 4.0684 9.0485 9.0485 9.0534 9.0534 10.2014 10.2014 10.2274 10.2274 11.2480 11.2480 k =-0.4118 0.2543 0.5359 ( 4970 PWs) bands (ev): -12.7681 -12.7681 -12.7673 -12.7673 -11.2351 -11.2351 -11.2340 -11.2340 -9.7986 -9.7986 -9.7971 -9.7971 -4.0540 -4.0540 -4.0489 -4.0489 -1.9303 -1.9303 -1.9276 -1.9276 0.3090 0.3090 0.3252 0.3252 0.6906 0.6906 0.7122 0.7122 0.9705 0.9705 0.9823 0.9823 1.8916 1.8916 1.9099 1.9099 3.0231 3.0231 3.0282 3.0282 3.5072 3.5072 3.5123 3.5123 4.0478 4.0478 4.0526 4.0526 9.0467 9.0467 9.0509 9.0509 10.2500 10.2500 10.2752 10.2752 11.2104 11.2104 k =-0.4265 0.2634 0.5359 ( 4962 PWs) bands (ev): -12.7608 -12.7608 -12.7601 -12.7601 -11.2469 -11.2469 -11.2460 -11.2460 -9.7993 -9.7993 -9.7981 -9.7981 -4.0330 -4.0330 -4.0286 -4.0286 -1.9445 -1.9445 -1.9422 -1.9422 0.3354 0.3354 0.3520 0.3520 0.6607 0.6607 0.6821 0.6821 0.9970 0.9970 1.0064 1.0064 1.8706 1.8706 1.8869 1.8869 3.0118 3.0118 3.0162 3.0162 3.5253 3.5253 3.5299 3.5299 4.0335 4.0335 4.0378 4.0378 9.0452 9.0452 9.0487 9.0487 10.2952 10.2952 10.3190 10.3190 11.1750 11.1750 k =-0.4412 0.2724 0.5359 ( 4970 PWs) bands (ev): -12.7547 -12.7547 -12.7542 -12.7542 -11.2567 -11.2567 -11.2560 -11.2560 -9.8000 -9.8000 -9.7990 -9.7990 -4.0152 -4.0152 -4.0116 -4.0116 -1.9564 -1.9564 -1.9546 -1.9546 0.3621 0.3621 0.3789 0.3789 0.6308 0.6308 0.6518 0.6518 1.0202 1.0202 1.0279 1.0279 1.8529 1.8529 1.8668 1.8668 3.0021 3.0021 3.0057 3.0057 3.5417 3.5417 3.5456 3.5456 4.0208 4.0208 4.0245 4.0245 9.0440 9.0440 9.0467 9.0467 10.3362 10.3362 10.3575 10.3575 11.1431 11.1431 k =-0.4559 0.2815 0.5359 ( 4980 PWs) bands (ev): -12.7499 -12.7499 -12.7494 -12.7494 -11.2645 -11.2645 -11.2639 -11.2639 -9.8005 -9.8005 -9.7997 -9.7997 -4.0010 -4.0010 -3.9982 -3.9982 -1.9659 -1.9659 -1.9645 -1.9645 0.3885 0.3885 0.4050 0.4050 0.6021 0.6021 0.6219 0.6219 1.0396 1.0396 1.0456 1.0456 1.8391 1.8391 1.8500 1.8500 2.9945 2.9945 2.9972 2.9972 3.5555 3.5555 3.5586 3.5586 4.0102 4.0102 4.0132 4.0132 9.0431 9.0431 9.0452 9.0452 10.3716 10.3716 10.3893 10.3893 11.1165 11.1165 k =-0.4706 0.2906 0.5359 ( 4978 PWs) bands (ev): -12.7463 -12.7463 -12.7460 -12.7460 -11.2701 -11.2701 -11.2697 -11.2697 -9.8008 -9.8008 -9.8003 -9.8003 -3.9905 -3.9905 -3.9886 -3.9886 -1.9728 -1.9728 -1.9718 -1.9718 0.4138 0.4138 0.4288 0.4288 0.5765 0.5765 0.5937 0.5937 1.0543 1.0543 1.0585 1.0585 1.8295 1.8295 1.8370 1.8370 2.9889 2.9889 2.9908 2.9908 3.5662 3.5662 3.5684 3.5684 4.0023 4.0023 4.0044 4.0044 9.0425 9.0425 9.0439 9.0439 10.3998 10.3998 10.4127 10.4127 11.0970 11.0970 k =-0.4853 0.2997 0.5359 ( 4966 PWs) bands (ev): -12.7441 -12.7441 -12.7440 -12.7440 -11.2734 -11.2734 -11.2732 -11.2732 -9.8009 -9.8009 -9.8007 -9.8007 -3.9839 -3.9839 -3.9830 -3.9830 -1.9768 -1.9768 -1.9763 -1.9763 0.4359 0.4359 0.4461 0.4461 0.5583 0.5583 0.5697 0.5697 1.0639 1.0639 1.0660 1.0660 1.8244 1.8244 1.8283 1.8283 2.9857 2.9857 2.9867 2.9867 3.5731 3.5731 3.5742 3.5742 3.9976 3.9976 3.9987 3.9987 9.0423 9.0423 9.0430 9.0430 10.4192 10.4192 10.4261 10.4261 11.0863 11.0863 k =-0.5000 0.3088 0.5359 ( 4972 PWs) bands (ev): -12.7433 -12.7433 -12.7433 -12.7433 -11.2745 -11.2745 -11.2745 -11.2745 -9.8009 -9.8009 -9.8009 -9.8009 -3.9814 -3.9814 -3.9814 -3.9814 -1.9780 -1.9780 -1.9780 -1.9780 0.4492 0.4492 0.4492 0.4492 0.5553 0.5553 0.5553 0.5553 1.0678 1.0678 1.0678 1.0678 1.8240 1.8240 1.8240 1.8240 2.9850 2.9850 2.9850 2.9850 3.5758 3.5758 3.5758 3.5758 3.9963 3.9963 3.9963 3.9963 9.0425 9.0425 9.0425 9.0425 10.4283 10.4283 10.4283 10.4283 11.0856 11.0856 Writing output data file Ge2N2O.save init_run : 1.96s CPU 11.30s WALL ( 1 calls) electrons : 1088.19s CPU 1098.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 1088.07s CPU 1097.89s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.86s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.53s WALL ( 1 calls) newd : 0.30s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 354 calls) cegterg : 1006.33s CPU 1012.49s WALL ( 1169 calls) Called by sum_band: Called by *egterg: h_psi : 361.77s CPU 374.00s WALL ( 21673 calls) s_psi : 28.82s CPU 29.26s WALL ( 21673 calls) g_psi : 1.09s CPU 1.09s WALL ( 20150 calls) cdiaghg : 455.46s CPU 450.42s WALL ( 20504 calls) cegterg:over : 86.05s CPU 83.34s WALL ( 20150 calls) cegterg:upda : 19.93s CPU 25.64s WALL ( 20150 calls) cegterg:last : 16.80s CPU 17.70s WALL ( 2580 calls) Called by h_psi: h_psi:vloc : 283.06s CPU 293.08s WALL ( 21673 calls) h_psi:vnl : 78.25s CPU 79.70s WALL ( 21673 calls) add_vuspsi : 23.39s CPU 26.78s WALL ( 21673 calls) General routines calbec : 54.79s CPU 52.76s WALL ( 21673 calls) fft : 0.34s CPU 1.19s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 266.50s CPU 273.29s WALL ( 1675764 calls) interpolate : 0.09s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 3.58s WALL ( 708 calls) Parallel routines fft_scatter : 170.13s CPU 175.98s WALL ( 1675787 calls) PWSCF : 19m27.70s CPU 27m17.52s WALL This run was terminated on: 17:44: 3 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=