Program PWSCF v.5.1.1 starts on 16Jul2015 at 15: 6:43 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./MgCd.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 91 33 10 4899 1087 174 Max 92 34 11 4902 1110 180 Sum 2937 1079 321 156841 35171 5703 bravais-lattice index = 14 lattice parameter (alat) = 6.0983 a.u. unit-cell volume = 575.1866 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.098335 celldm(2)= 1.550959 celldm(3)= 1.635214 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.550959 0.000000 ) a(3) = ( 0.000000 0.000000 1.635214 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.644762 -0.000000 ) b(3) = ( 0.000000 0.000000 0.611541 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Cd 12.00 112.41100 Cd( 1.00) Mg 10.00 24.30500 Mg( 1.00) 8 Sym. Ops., with inversion, found ( 4 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 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.7754795 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.7754795 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.7754795 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.7754795 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 Cartesian axes number of k points= 456 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 2) = ( 0.0102041 -0.0000000 -0.0000000), wk = 0.0021930 k( 3) = ( 0.0204082 -0.0000000 -0.0000000), wk = 0.0021930 k( 4) = ( 0.0306122 -0.0000000 -0.0000000), wk = 0.0021930 k( 5) = ( 0.0408163 -0.0000000 -0.0000000), wk = 0.0021930 k( 6) = ( 0.0510204 -0.0000000 -0.0000000), wk = 0.0021930 k( 7) = ( 0.0612245 -0.0000000 -0.0000000), wk = 0.0021930 k( 8) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0021930 k( 9) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0021930 k( 10) = ( 0.0918367 -0.0000000 -0.0000000), wk = 0.0021930 k( 11) = ( 0.1020408 -0.0000000 -0.0000000), wk = 0.0021930 k( 12) = ( 0.1122449 -0.0000000 -0.0000000), wk = 0.0021930 k( 13) = ( 0.1224490 -0.0000000 -0.0000000), wk = 0.0021930 k( 14) = ( 0.1326531 -0.0000000 -0.0000000), wk = 0.0021930 k( 15) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0021930 k( 16) = ( 0.1530612 -0.0000000 -0.0000000), wk = 0.0021930 k( 17) = ( 0.1632653 -0.0000000 -0.0000000), wk = 0.0021930 k( 18) = ( 0.1734694 -0.0000000 -0.0000000), wk = 0.0021930 k( 19) = ( 0.1836735 -0.0000000 -0.0000000), wk = 0.0021930 k( 20) = ( 0.1938776 -0.0000000 -0.0000000), wk = 0.0021930 k( 21) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0021930 k( 22) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0021930 k( 23) = ( 0.2244898 -0.0000000 -0.0000000), wk = 0.0021930 k( 24) = ( 0.2346939 -0.0000000 -0.0000000), wk = 0.0021930 k( 25) = ( 0.2448980 -0.0000000 -0.0000000), wk = 0.0021930 k( 26) = ( 0.2551020 -0.0000000 -0.0000000), wk = 0.0021930 k( 27) = ( 0.2653061 -0.0000000 -0.0000000), wk = 0.0021930 k( 28) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0021930 k( 29) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0021930 k( 30) = ( 0.2959184 -0.0000000 -0.0000000), wk = 0.0021930 k( 31) = ( 0.3061224 -0.0000000 -0.0000000), wk = 0.0021930 k( 32) = ( 0.3163265 -0.0000000 -0.0000000), wk = 0.0021930 k( 33) = ( 0.3265306 -0.0000000 -0.0000000), wk = 0.0021930 k( 34) = ( 0.3367347 -0.0000000 -0.0000000), wk = 0.0021930 k( 35) = ( 0.3469388 -0.0000000 -0.0000000), wk = 0.0021930 k( 36) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0021930 k( 37) = ( 0.3673469 -0.0000000 -0.0000000), wk = 0.0021930 k( 38) = ( 0.3775510 -0.0000000 -0.0000000), wk = 0.0021930 k( 39) = ( 0.3877551 -0.0000000 -0.0000000), wk = 0.0021930 k( 40) = ( 0.3979592 -0.0000000 -0.0000000), wk = 0.0021930 k( 41) = ( 0.4081633 -0.0000000 -0.0000000), wk = 0.0021930 k( 42) = ( 0.4183674 -0.0000000 -0.0000000), wk = 0.0021930 k( 43) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0021930 k( 44) = ( 0.4387755 -0.0000000 -0.0000000), wk = 0.0021930 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0021930 k( 46) = ( 0.4591837 -0.0000000 -0.0000000), wk = 0.0021930 k( 47) = ( 0.4693878 -0.0000000 -0.0000000), wk = 0.0021930 k( 48) = ( 0.4795918 -0.0000000 -0.0000000), wk = 0.0021930 k( 49) = ( 0.4897959 -0.0000000 -0.0000000), wk = 0.0021930 k( 50) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021930 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021930 k( 52) = ( 0.5000000 0.0100744 -0.0000000), wk = 0.0021930 k( 53) = ( 0.5000000 0.0201488 -0.0000000), wk = 0.0021930 k( 54) = ( 0.5000000 0.0302232 -0.0000000), wk = 0.0021930 k( 55) = ( 0.5000000 0.0402976 -0.0000000), wk = 0.0021930 k( 56) = ( 0.5000000 0.0503721 -0.0000000), wk = 0.0021930 k( 57) = ( 0.5000000 0.0604465 -0.0000000), wk = 0.0021930 k( 58) = ( 0.5000000 0.0705209 -0.0000000), wk = 0.0021930 k( 59) = ( 0.5000000 0.0805953 -0.0000000), wk = 0.0021930 k( 60) = ( 0.5000000 0.0906697 -0.0000000), wk = 0.0021930 k( 61) = ( 0.5000000 0.1007441 -0.0000000), wk = 0.0021930 k( 62) = ( 0.5000000 0.1108185 -0.0000000), wk = 0.0021930 k( 63) = ( 0.5000000 0.1208929 -0.0000000), wk = 0.0021930 k( 64) = ( 0.5000000 0.1309674 -0.0000000), wk = 0.0021930 k( 65) = ( 0.5000000 0.1410418 -0.0000000), wk = 0.0021930 k( 66) = ( 0.5000000 0.1511162 -0.0000000), wk = 0.0021930 k( 67) = ( 0.5000000 0.1611906 -0.0000000), wk = 0.0021930 k( 68) = ( 0.5000000 0.1712650 -0.0000000), wk = 0.0021930 k( 69) = ( 0.5000000 0.1813394 -0.0000000), wk = 0.0021930 k( 70) = ( 0.5000000 0.1914138 -0.0000000), wk = 0.0021930 k( 71) = ( 0.5000000 0.2014882 -0.0000000), wk = 0.0021930 k( 72) = ( 0.5000000 0.2115626 -0.0000000), wk = 0.0021930 k( 73) = ( 0.5000000 0.2216371 -0.0000000), wk = 0.0021930 k( 74) = ( 0.5000000 0.2317115 -0.0000000), wk = 0.0021930 k( 75) = ( 0.5000000 0.2417859 -0.0000000), wk = 0.0021930 k( 76) = ( 0.5000000 0.2518603 -0.0000000), wk = 0.0021930 k( 77) = ( 0.5000000 0.2619347 -0.0000000), wk = 0.0021930 k( 78) = ( 0.5000000 0.2720091 -0.0000000), wk = 0.0021930 k( 79) = ( 0.5000000 0.2820835 -0.0000000), wk = 0.0021930 k( 80) = ( 0.5000000 0.2921579 -0.0000000), wk = 0.0021930 k( 81) = ( 0.5000000 0.3022323 -0.0000000), wk = 0.0021930 k( 82) = ( 0.5000000 0.3123068 -0.0000000), wk = 0.0021930 k( 83) = ( 0.5000000 0.3223812 -0.0000000), wk = 0.0021930 k( 84) = ( 0.5000000 0.3223812 -0.0000000), wk = 0.0021930 k( 85) = ( 0.4897959 0.3223812 -0.0000000), wk = 0.0021930 k( 86) = ( 0.4795918 0.3223812 -0.0000000), wk = 0.0021930 k( 87) = ( 0.4693878 0.3223812 -0.0000000), wk = 0.0021930 k( 88) = ( 0.4591837 0.3223812 -0.0000000), wk = 0.0021930 k( 89) = ( 0.4489796 0.3223812 -0.0000000), wk = 0.0021930 k( 90) = ( 0.4387755 0.3223812 -0.0000000), wk = 0.0021930 k( 91) = ( 0.4285714 0.3223812 -0.0000000), wk = 0.0021930 k( 92) = ( 0.4183674 0.3223812 -0.0000000), wk = 0.0021930 k( 93) = ( 0.4081633 0.3223812 -0.0000000), wk = 0.0021930 k( 94) = ( 0.3979592 0.3223812 -0.0000000), wk = 0.0021930 k( 95) = ( 0.3877551 0.3223812 -0.0000000), wk = 0.0021930 k( 96) = ( 0.3775510 0.3223812 -0.0000000), wk = 0.0021930 k( 97) = ( 0.3673469 0.3223812 -0.0000000), wk = 0.0021930 k( 98) = ( 0.3571429 0.3223812 -0.0000000), wk = 0.0021930 k( 99) = ( 0.3469388 0.3223812 -0.0000000), wk = 0.0021930 k( 100) = ( 0.3367347 0.3223812 -0.0000000), wk = 0.0021930 k( 101) = ( 0.3265306 0.3223812 -0.0000000), wk = 0.0021930 k( 102) = ( 0.3163265 0.3223812 -0.0000000), wk = 0.0021930 k( 103) = ( 0.3061224 0.3223812 -0.0000000), wk = 0.0021930 k( 104) = ( 0.2959184 0.3223812 -0.0000000), wk = 0.0021930 k( 105) = ( 0.2857143 0.3223812 -0.0000000), wk = 0.0021930 k( 106) = ( 0.2755102 0.3223812 -0.0000000), wk = 0.0021930 k( 107) = ( 0.2653061 0.3223812 -0.0000000), wk = 0.0021930 k( 108) = ( 0.2551020 0.3223812 -0.0000000), wk = 0.0021930 k( 109) = ( 0.2448980 0.3223812 -0.0000000), wk = 0.0021930 k( 110) = ( 0.2346939 0.3223812 -0.0000000), wk = 0.0021930 k( 111) = ( 0.2244898 0.3223812 -0.0000000), wk = 0.0021930 k( 112) = ( 0.2142857 0.3223812 -0.0000000), wk = 0.0021930 k( 113) = ( 0.2040816 0.3223812 -0.0000000), wk = 0.0021930 k( 114) = ( 0.1938776 0.3223812 -0.0000000), wk = 0.0021930 k( 115) = ( 0.1836735 0.3223812 -0.0000000), wk = 0.0021930 k( 116) = ( 0.1734694 0.3223812 -0.0000000), wk = 0.0021930 k( 117) = ( 0.1632653 0.3223812 -0.0000000), wk = 0.0021930 k( 118) = ( 0.1530612 0.3223812 -0.0000000), wk = 0.0021930 k( 119) = ( 0.1428571 0.3223812 -0.0000000), wk = 0.0021930 k( 120) = ( 0.1326531 0.3223812 -0.0000000), wk = 0.0021930 k( 121) = ( 0.1224490 0.3223812 -0.0000000), wk = 0.0021930 k( 122) = ( 0.1122449 0.3223812 -0.0000000), wk = 0.0021930 k( 123) = ( 0.1020408 0.3223812 -0.0000000), wk = 0.0021930 k( 124) = ( 0.0918367 0.3223812 -0.0000000), wk = 0.0021930 k( 125) = ( 0.0816327 0.3223812 -0.0000000), wk = 0.0021930 k( 126) = ( 0.0714286 0.3223812 -0.0000000), wk = 0.0021930 k( 127) = ( 0.0612245 0.3223812 -0.0000000), wk = 0.0021930 k( 128) = ( 0.0510204 0.3223812 -0.0000000), wk = 0.0021930 k( 129) = ( 0.0408163 0.3223812 -0.0000000), wk = 0.0021930 k( 130) = ( 0.0306122 0.3223812 -0.0000000), wk = 0.0021930 k( 131) = ( 0.0204082 0.3223812 -0.0000000), wk = 0.0021930 k( 132) = ( 0.0102041 0.3223812 -0.0000000), wk = 0.0021930 k( 133) = ( 0.0000000 0.3223812 -0.0000000), wk = 0.0021930 k( 134) = ( 0.0000000 0.3223812 -0.0000000), wk = 0.0021930 k( 135) = ( 0.0000000 0.3123068 -0.0000000), wk = 0.0021930 k( 136) = ( 0.0000000 0.3022323 -0.0000000), wk = 0.0021930 k( 137) = ( 0.0000000 0.2921579 -0.0000000), wk = 0.0021930 k( 138) = ( 0.0000000 0.2820835 -0.0000000), wk = 0.0021930 k( 139) = ( 0.0000000 0.2720091 -0.0000000), wk = 0.0021930 k( 140) = ( 0.0000000 0.2619347 -0.0000000), wk = 0.0021930 k( 141) = ( 0.0000000 0.2518603 -0.0000000), wk = 0.0021930 k( 142) = ( 0.0000000 0.2417859 -0.0000000), wk = 0.0021930 k( 143) = ( 0.0000000 0.2317115 -0.0000000), wk = 0.0021930 k( 144) = ( 0.0000000 0.2216371 -0.0000000), wk = 0.0021930 k( 145) = ( 0.0000000 0.2115626 -0.0000000), wk = 0.0021930 k( 146) = ( 0.0000000 0.2014882 -0.0000000), wk = 0.0021930 k( 147) = ( 0.0000000 0.1914138 -0.0000000), wk = 0.0021930 k( 148) = ( 0.0000000 0.1813394 -0.0000000), wk = 0.0021930 k( 149) = ( 0.0000000 0.1712650 -0.0000000), wk = 0.0021930 k( 150) = ( 0.0000000 0.1611906 -0.0000000), wk = 0.0021930 k( 151) = ( 0.0000000 0.1511162 -0.0000000), wk = 0.0021930 k( 152) = ( 0.0000000 0.1410418 -0.0000000), wk = 0.0021930 k( 153) = ( 0.0000000 0.1309674 -0.0000000), wk = 0.0021930 k( 154) = ( 0.0000000 0.1208929 -0.0000000), wk = 0.0021930 k( 155) = ( 0.0000000 0.1108185 -0.0000000), wk = 0.0021930 k( 156) = ( 0.0000000 0.1007441 -0.0000000), wk = 0.0021930 k( 157) = ( 0.0000000 0.0906697 -0.0000000), wk = 0.0021930 k( 158) = ( 0.0000000 0.0805953 -0.0000000), wk = 0.0021930 k( 159) = ( 0.0000000 0.0705209 -0.0000000), wk = 0.0021930 k( 160) = ( 0.0000000 0.0604465 -0.0000000), wk = 0.0021930 k( 161) = ( 0.0000000 0.0503721 -0.0000000), wk = 0.0021930 k( 162) = ( 0.0000000 0.0402976 -0.0000000), wk = 0.0021930 k( 163) = ( 0.0000000 0.0302232 -0.0000000), wk = 0.0021930 k( 164) = ( 0.0000000 0.0201488 -0.0000000), wk = 0.0021930 k( 165) = ( 0.0000000 0.0100744 -0.0000000), wk = 0.0021930 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 168) = ( 0.0000000 0.0000000 0.0101923), wk = 0.0021930 k( 169) = ( 0.0000000 0.0000000 0.0203847), wk = 0.0021930 k( 170) = ( 0.0000000 0.0000000 0.0305770), wk = 0.0021930 k( 171) = ( 0.0000000 0.0000000 0.0407694), wk = 0.0021930 k( 172) = ( 0.0000000 0.0000000 0.0509617), wk = 0.0021930 k( 173) = ( 0.0000000 0.0000000 0.0611541), wk = 0.0021930 k( 174) = ( 0.0000000 0.0000000 0.0713464), wk = 0.0021930 k( 175) = ( 0.0000000 0.0000000 0.0815388), wk = 0.0021930 k( 176) = ( 0.0000000 0.0000000 0.0917311), wk = 0.0021930 k( 177) = ( 0.0000000 0.0000000 0.1019234), wk = 0.0021930 k( 178) = ( 0.0000000 0.0000000 0.1121158), wk = 0.0021930 k( 179) = ( 0.0000000 0.0000000 0.1223081), wk = 0.0021930 k( 180) = ( 0.0000000 0.0000000 0.1325005), wk = 0.0021930 k( 181) = ( 0.0000000 0.0000000 0.1426928), wk = 0.0021930 k( 182) = ( 0.0000000 0.0000000 0.1528852), wk = 0.0021930 k( 183) = ( 0.0000000 0.0000000 0.1630775), wk = 0.0021930 k( 184) = ( 0.0000000 0.0000000 0.1732698), wk = 0.0021930 k( 185) = ( 0.0000000 0.0000000 0.1834622), wk = 0.0021930 k( 186) = ( 0.0000000 0.0000000 0.1936545), wk = 0.0021930 k( 187) = ( 0.0000000 0.0000000 0.2038469), wk = 0.0021930 k( 188) = ( 0.0000000 0.0000000 0.2140392), wk = 0.0021930 k( 189) = ( 0.0000000 0.0000000 0.2242316), wk = 0.0021930 k( 190) = ( 0.0000000 0.0000000 0.2344239), wk = 0.0021930 k( 191) = ( 0.0000000 0.0000000 0.2446163), wk = 0.0021930 k( 192) = ( 0.0000000 0.0000000 0.2548086), wk = 0.0021930 k( 193) = ( 0.0000000 0.0000000 0.2650009), wk = 0.0021930 k( 194) = ( 0.0000000 0.0000000 0.2751933), wk = 0.0021930 k( 195) = ( 0.0000000 0.0000000 0.2853856), wk = 0.0021930 k( 196) = ( 0.0000000 0.0000000 0.2955780), wk = 0.0021930 k( 197) = ( 0.0000000 0.0000000 0.3057703), wk = 0.0021930 k( 198) = ( 0.0000000 0.0000000 0.3057703), wk = 0.0021930 k( 199) = ( 0.0102041 -0.0000000 0.3057703), wk = 0.0021930 k( 200) = ( 0.0204082 -0.0000000 0.3057703), wk = 0.0021930 k( 201) = ( 0.0306122 -0.0000000 0.3057703), wk = 0.0021930 k( 202) = ( 0.0408163 -0.0000000 0.3057703), wk = 0.0021930 k( 203) = ( 0.0510204 -0.0000000 0.3057703), wk = 0.0021930 k( 204) = ( 0.0612245 -0.0000000 0.3057703), wk = 0.0021930 k( 205) = ( 0.0714286 -0.0000000 0.3057703), wk = 0.0021930 k( 206) = ( 0.0816327 -0.0000000 0.3057703), wk = 0.0021930 k( 207) = ( 0.0918367 -0.0000000 0.3057703), wk = 0.0021930 k( 208) = ( 0.1020408 -0.0000000 0.3057703), wk = 0.0021930 k( 209) = ( 0.1122449 -0.0000000 0.3057703), wk = 0.0021930 k( 210) = ( 0.1224490 -0.0000000 0.3057703), wk = 0.0021930 k( 211) = ( 0.1326531 -0.0000000 0.3057703), wk = 0.0021930 k( 212) = ( 0.1428571 -0.0000000 0.3057703), wk = 0.0021930 k( 213) = ( 0.1530612 -0.0000000 0.3057703), wk = 0.0021930 k( 214) = ( 0.1632653 -0.0000000 0.3057703), wk = 0.0021930 k( 215) = ( 0.1734694 -0.0000000 0.3057703), wk = 0.0021930 k( 216) = ( 0.1836735 -0.0000000 0.3057703), wk = 0.0021930 k( 217) = ( 0.1938776 -0.0000000 0.3057703), wk = 0.0021930 k( 218) = ( 0.2040816 -0.0000000 0.3057703), wk = 0.0021930 k( 219) = ( 0.2142857 -0.0000000 0.3057703), wk = 0.0021930 k( 220) = ( 0.2244898 -0.0000000 0.3057703), wk = 0.0021930 k( 221) = ( 0.2346939 -0.0000000 0.3057703), wk = 0.0021930 k( 222) = ( 0.2448980 -0.0000000 0.3057703), wk = 0.0021930 k( 223) = ( 0.2551020 -0.0000000 0.3057703), wk = 0.0021930 k( 224) = ( 0.2653061 -0.0000000 0.3057703), wk = 0.0021930 k( 225) = ( 0.2755102 -0.0000000 0.3057703), wk = 0.0021930 k( 226) = ( 0.2857143 -0.0000000 0.3057703), wk = 0.0021930 k( 227) = ( 0.2959184 -0.0000000 0.3057703), wk = 0.0021930 k( 228) = ( 0.3061224 -0.0000000 0.3057703), wk = 0.0021930 k( 229) = ( 0.3163265 -0.0000000 0.3057703), wk = 0.0021930 k( 230) = ( 0.3265306 -0.0000000 0.3057703), wk = 0.0021930 k( 231) = ( 0.3367347 -0.0000000 0.3057703), wk = 0.0021930 k( 232) = ( 0.3469388 -0.0000000 0.3057703), wk = 0.0021930 k( 233) = ( 0.3571429 -0.0000000 0.3057703), wk = 0.0021930 k( 234) = ( 0.3673469 -0.0000000 0.3057703), wk = 0.0021930 k( 235) = ( 0.3775510 -0.0000000 0.3057703), wk = 0.0021930 k( 236) = ( 0.3877551 -0.0000000 0.3057703), wk = 0.0021930 k( 237) = ( 0.3979592 -0.0000000 0.3057703), wk = 0.0021930 k( 238) = ( 0.4081633 -0.0000000 0.3057703), wk = 0.0021930 k( 239) = ( 0.4183674 -0.0000000 0.3057703), wk = 0.0021930 k( 240) = ( 0.4285714 -0.0000000 0.3057703), wk = 0.0021930 k( 241) = ( 0.4387755 -0.0000000 0.3057703), wk = 0.0021930 k( 242) = ( 0.4489796 -0.0000000 0.3057703), wk = 0.0021930 k( 243) = ( 0.4591837 -0.0000000 0.3057703), wk = 0.0021930 k( 244) = ( 0.4693878 -0.0000000 0.3057703), wk = 0.0021930 k( 245) = ( 0.4795918 -0.0000000 0.3057703), wk = 0.0021930 k( 246) = ( 0.4897959 -0.0000000 0.3057703), wk = 0.0021930 k( 247) = ( 0.5000000 -0.0000000 0.3057703), wk = 0.0021930 k( 248) = ( 0.5000000 -0.0000000 0.3057703), wk = 0.0021930 k( 249) = ( 0.5000000 0.0100744 0.3057703), wk = 0.0021930 k( 250) = ( 0.5000000 0.0201488 0.3057703), wk = 0.0021930 k( 251) = ( 0.5000000 0.0302232 0.3057703), wk = 0.0021930 k( 252) = ( 0.5000000 0.0402976 0.3057703), wk = 0.0021930 k( 253) = ( 0.5000000 0.0503721 0.3057703), wk = 0.0021930 k( 254) = ( 0.5000000 0.0604465 0.3057703), wk = 0.0021930 k( 255) = ( 0.5000000 0.0705209 0.3057703), wk = 0.0021930 k( 256) = ( 0.5000000 0.0805953 0.3057703), wk = 0.0021930 k( 257) = ( 0.5000000 0.0906697 0.3057703), wk = 0.0021930 k( 258) = ( 0.5000000 0.1007441 0.3057703), wk = 0.0021930 k( 259) = ( 0.5000000 0.1108185 0.3057703), wk = 0.0021930 k( 260) = ( 0.5000000 0.1208929 0.3057703), wk = 0.0021930 k( 261) = ( 0.5000000 0.1309674 0.3057703), wk = 0.0021930 k( 262) = ( 0.5000000 0.1410418 0.3057703), wk = 0.0021930 k( 263) = ( 0.5000000 0.1511162 0.3057703), wk = 0.0021930 k( 264) = ( 0.5000000 0.1611906 0.3057703), wk = 0.0021930 k( 265) = ( 0.5000000 0.1712650 0.3057703), wk = 0.0021930 k( 266) = ( 0.5000000 0.1813394 0.3057703), wk = 0.0021930 k( 267) = ( 0.5000000 0.1914138 0.3057703), wk = 0.0021930 k( 268) = ( 0.5000000 0.2014882 0.3057703), wk = 0.0021930 k( 269) = ( 0.5000000 0.2115626 0.3057703), wk = 0.0021930 k( 270) = ( 0.5000000 0.2216371 0.3057703), wk = 0.0021930 k( 271) = ( 0.5000000 0.2317115 0.3057703), wk = 0.0021930 k( 272) = ( 0.5000000 0.2417859 0.3057703), wk = 0.0021930 k( 273) = ( 0.5000000 0.2518603 0.3057703), wk = 0.0021930 k( 274) = ( 0.5000000 0.2619347 0.3057703), wk = 0.0021930 k( 275) = ( 0.5000000 0.2720091 0.3057703), wk = 0.0021930 k( 276) = ( 0.5000000 0.2820835 0.3057703), wk = 0.0021930 k( 277) = ( 0.5000000 0.2921579 0.3057703), wk = 0.0021930 k( 278) = ( 0.5000000 0.3022323 0.3057703), wk = 0.0021930 k( 279) = ( 0.5000000 0.3123068 0.3057703), wk = 0.0021930 k( 280) = ( 0.5000000 0.3223812 0.3057703), wk = 0.0021930 k( 281) = ( 0.5000000 0.3223812 0.3057703), wk = 0.0021930 k( 282) = ( 0.4897959 0.3223812 0.3057703), wk = 0.0021930 k( 283) = ( 0.4795918 0.3223812 0.3057703), wk = 0.0021930 k( 284) = ( 0.4693878 0.3223812 0.3057703), wk = 0.0021930 k( 285) = ( 0.4591837 0.3223812 0.3057703), wk = 0.0021930 k( 286) = ( 0.4489796 0.3223812 0.3057703), wk = 0.0021930 k( 287) = ( 0.4387755 0.3223812 0.3057703), wk = 0.0021930 k( 288) = ( 0.4285714 0.3223812 0.3057703), wk = 0.0021930 k( 289) = ( 0.4183674 0.3223812 0.3057703), wk = 0.0021930 k( 290) = ( 0.4081633 0.3223812 0.3057703), wk = 0.0021930 k( 291) = ( 0.3979592 0.3223812 0.3057703), wk = 0.0021930 k( 292) = ( 0.3877551 0.3223812 0.3057703), wk = 0.0021930 k( 293) = ( 0.3775510 0.3223812 0.3057703), wk = 0.0021930 k( 294) = ( 0.3673469 0.3223812 0.3057703), wk = 0.0021930 k( 295) = ( 0.3571429 0.3223812 0.3057703), wk = 0.0021930 k( 296) = ( 0.3469388 0.3223812 0.3057703), wk = 0.0021930 k( 297) = ( 0.3367347 0.3223812 0.3057703), wk = 0.0021930 k( 298) = ( 0.3265306 0.3223812 0.3057703), wk = 0.0021930 k( 299) = ( 0.3163265 0.3223812 0.3057703), wk = 0.0021930 k( 300) = ( 0.3061224 0.3223812 0.3057703), wk = 0.0021930 k( 301) = ( 0.2959184 0.3223812 0.3057703), wk = 0.0021930 k( 302) = ( 0.2857143 0.3223812 0.3057703), wk = 0.0021930 k( 303) = ( 0.2755102 0.3223812 0.3057703), wk = 0.0021930 k( 304) = ( 0.2653061 0.3223812 0.3057703), wk = 0.0021930 k( 305) = ( 0.2551020 0.3223812 0.3057703), wk = 0.0021930 k( 306) = ( 0.2448980 0.3223812 0.3057703), wk = 0.0021930 k( 307) = ( 0.2346939 0.3223812 0.3057703), wk = 0.0021930 k( 308) = ( 0.2244898 0.3223812 0.3057703), wk = 0.0021930 k( 309) = ( 0.2142857 0.3223812 0.3057703), wk = 0.0021930 k( 310) = ( 0.2040816 0.3223812 0.3057703), wk = 0.0021930 k( 311) = ( 0.1938776 0.3223812 0.3057703), wk = 0.0021930 k( 312) = ( 0.1836735 0.3223812 0.3057703), wk = 0.0021930 k( 313) = ( 0.1734694 0.3223812 0.3057703), wk = 0.0021930 k( 314) = ( 0.1632653 0.3223812 0.3057703), wk = 0.0021930 k( 315) = ( 0.1530612 0.3223812 0.3057703), wk = 0.0021930 k( 316) = ( 0.1428571 0.3223812 0.3057703), wk = 0.0021930 k( 317) = ( 0.1326531 0.3223812 0.3057703), wk = 0.0021930 k( 318) = ( 0.1224490 0.3223812 0.3057703), wk = 0.0021930 k( 319) = ( 0.1122449 0.3223812 0.3057703), wk = 0.0021930 k( 320) = ( 0.1020408 0.3223812 0.3057703), wk = 0.0021930 k( 321) = ( 0.0918367 0.3223812 0.3057703), wk = 0.0021930 k( 322) = ( 0.0816327 0.3223812 0.3057703), wk = 0.0021930 k( 323) = ( 0.0714286 0.3223812 0.3057703), wk = 0.0021930 k( 324) = ( 0.0612245 0.3223812 0.3057703), wk = 0.0021930 k( 325) = ( 0.0510204 0.3223812 0.3057703), wk = 0.0021930 k( 326) = ( 0.0408163 0.3223812 0.3057703), wk = 0.0021930 k( 327) = ( 0.0306122 0.3223812 0.3057703), wk = 0.0021930 k( 328) = ( 0.0204082 0.3223812 0.3057703), wk = 0.0021930 k( 329) = ( 0.0102041 0.3223812 0.3057703), wk = 0.0021930 k( 330) = ( 0.0000000 0.3223812 0.3057703), wk = 0.0021930 k( 331) = ( 0.0000000 0.3223812 0.3057703), wk = 0.0021930 k( 332) = ( 0.0000000 0.3123068 0.3057703), wk = 0.0021930 k( 333) = ( 0.0000000 0.3022323 0.3057703), wk = 0.0021930 k( 334) = ( 0.0000000 0.2921579 0.3057703), wk = 0.0021930 k( 335) = ( 0.0000000 0.2820835 0.3057703), wk = 0.0021930 k( 336) = ( 0.0000000 0.2720091 0.3057703), wk = 0.0021930 k( 337) = ( 0.0000000 0.2619347 0.3057703), wk = 0.0021930 k( 338) = ( 0.0000000 0.2518603 0.3057703), wk = 0.0021930 k( 339) = ( 0.0000000 0.2417859 0.3057703), wk = 0.0021930 k( 340) = ( 0.0000000 0.2317115 0.3057703), wk = 0.0021930 k( 341) = ( 0.0000000 0.2216371 0.3057703), wk = 0.0021930 k( 342) = ( 0.0000000 0.2115626 0.3057703), wk = 0.0021930 k( 343) = ( 0.0000000 0.2014882 0.3057703), wk = 0.0021930 k( 344) = ( 0.0000000 0.1914138 0.3057703), wk = 0.0021930 k( 345) = ( 0.0000000 0.1813394 0.3057703), wk = 0.0021930 k( 346) = ( 0.0000000 0.1712650 0.3057703), wk = 0.0021930 k( 347) = ( 0.0000000 0.1611906 0.3057703), wk = 0.0021930 k( 348) = ( 0.0000000 0.1511162 0.3057703), wk = 0.0021930 k( 349) = ( 0.0000000 0.1410418 0.3057703), wk = 0.0021930 k( 350) = ( 0.0000000 0.1309674 0.3057703), wk = 0.0021930 k( 351) = ( 0.0000000 0.1208929 0.3057703), wk = 0.0021930 k( 352) = ( 0.0000000 0.1108185 0.3057703), wk = 0.0021930 k( 353) = ( 0.0000000 0.1007441 0.3057703), wk = 0.0021930 k( 354) = ( 0.0000000 0.0906697 0.3057703), wk = 0.0021930 k( 355) = ( 0.0000000 0.0805953 0.3057703), wk = 0.0021930 k( 356) = ( 0.0000000 0.0705209 0.3057703), wk = 0.0021930 k( 357) = ( 0.0000000 0.0604465 0.3057703), wk = 0.0021930 k( 358) = ( 0.0000000 0.0503721 0.3057703), wk = 0.0021930 k( 359) = ( 0.0000000 0.0402976 0.3057703), wk = 0.0021930 k( 360) = ( 0.0000000 0.0302232 0.3057703), wk = 0.0021930 k( 361) = ( 0.0000000 0.0201488 0.3057703), wk = 0.0021930 k( 362) = ( 0.0000000 0.0100744 0.3057703), wk = 0.0021930 k( 363) = ( 0.0000000 0.0000000 0.3057703), wk = 0.0021930 k( 364) = ( 0.0000000 0.3223812 -0.0000000), wk = 0.0021930 k( 365) = ( 0.0000000 0.3223812 0.0101923), wk = 0.0021930 k( 366) = ( 0.0000000 0.3223812 0.0203847), wk = 0.0021930 k( 367) = ( 0.0000000 0.3223812 0.0305770), wk = 0.0021930 k( 368) = ( 0.0000000 0.3223812 0.0407694), wk = 0.0021930 k( 369) = ( 0.0000000 0.3223812 0.0509617), wk = 0.0021930 k( 370) = ( 0.0000000 0.3223812 0.0611541), wk = 0.0021930 k( 371) = ( 0.0000000 0.3223812 0.0713464), wk = 0.0021930 k( 372) = ( 0.0000000 0.3223812 0.0815388), wk = 0.0021930 k( 373) = ( 0.0000000 0.3223812 0.0917311), wk = 0.0021930 k( 374) = ( 0.0000000 0.3223812 0.1019234), wk = 0.0021930 k( 375) = ( 0.0000000 0.3223812 0.1121158), wk = 0.0021930 k( 376) = ( 0.0000000 0.3223812 0.1223081), wk = 0.0021930 k( 377) = ( 0.0000000 0.3223812 0.1325005), wk = 0.0021930 k( 378) = ( 0.0000000 0.3223812 0.1426928), wk = 0.0021930 k( 379) = ( 0.0000000 0.3223812 0.1528852), wk = 0.0021930 k( 380) = ( 0.0000000 0.3223812 0.1630775), wk = 0.0021930 k( 381) = ( 0.0000000 0.3223812 0.1732698), wk = 0.0021930 k( 382) = ( 0.0000000 0.3223812 0.1834622), wk = 0.0021930 k( 383) = ( 0.0000000 0.3223812 0.1936545), wk = 0.0021930 k( 384) = ( 0.0000000 0.3223812 0.2038469), wk = 0.0021930 k( 385) = ( 0.0000000 0.3223812 0.2140392), wk = 0.0021930 k( 386) = ( 0.0000000 0.3223812 0.2242316), wk = 0.0021930 k( 387) = ( 0.0000000 0.3223812 0.2344239), wk = 0.0021930 k( 388) = ( 0.0000000 0.3223812 0.2446163), wk = 0.0021930 k( 389) = ( 0.0000000 0.3223812 0.2548086), wk = 0.0021930 k( 390) = ( 0.0000000 0.3223812 0.2650009), wk = 0.0021930 k( 391) = ( 0.0000000 0.3223812 0.2751933), wk = 0.0021930 k( 392) = ( 0.0000000 0.3223812 0.2853856), wk = 0.0021930 k( 393) = ( 0.0000000 0.3223812 0.2955780), wk = 0.0021930 k( 394) = ( 0.0000000 0.3223812 0.3057703), wk = 0.0021930 k( 395) = ( 0.5000000 -0.0000000 0.3057703), wk = 0.0021930 k( 396) = ( 0.5000000 -0.0000000 0.2955780), wk = 0.0021930 k( 397) = ( 0.5000000 -0.0000000 0.2853856), wk = 0.0021930 k( 398) = ( 0.5000000 -0.0000000 0.2751933), wk = 0.0021930 k( 399) = ( 0.5000000 -0.0000000 0.2650009), wk = 0.0021930 k( 400) = ( 0.5000000 -0.0000000 0.2548086), wk = 0.0021930 k( 401) = ( 0.5000000 -0.0000000 0.2446163), wk = 0.0021930 k( 402) = ( 0.5000000 -0.0000000 0.2344239), wk = 0.0021930 k( 403) = ( 0.5000000 -0.0000000 0.2242316), wk = 0.0021930 k( 404) = ( 0.5000000 -0.0000000 0.2140392), wk = 0.0021930 k( 405) = ( 0.5000000 -0.0000000 0.2038469), wk = 0.0021930 k( 406) = ( 0.5000000 -0.0000000 0.1936545), wk = 0.0021930 k( 407) = ( 0.5000000 -0.0000000 0.1834622), wk = 0.0021930 k( 408) = ( 0.5000000 -0.0000000 0.1732698), wk = 0.0021930 k( 409) = ( 0.5000000 -0.0000000 0.1630775), wk = 0.0021930 k( 410) = ( 0.5000000 -0.0000000 0.1528852), wk = 0.0021930 k( 411) = ( 0.5000000 -0.0000000 0.1426928), wk = 0.0021930 k( 412) = ( 0.5000000 -0.0000000 0.1325005), wk = 0.0021930 k( 413) = ( 0.5000000 -0.0000000 0.1223081), wk = 0.0021930 k( 414) = ( 0.5000000 -0.0000000 0.1121158), wk = 0.0021930 k( 415) = ( 0.5000000 -0.0000000 0.1019234), wk = 0.0021930 k( 416) = ( 0.5000000 -0.0000000 0.0917311), wk = 0.0021930 k( 417) = ( 0.5000000 -0.0000000 0.0815388), wk = 0.0021930 k( 418) = ( 0.5000000 -0.0000000 0.0713464), wk = 0.0021930 k( 419) = ( 0.5000000 -0.0000000 0.0611541), wk = 0.0021930 k( 420) = ( 0.5000000 -0.0000000 0.0509617), wk = 0.0021930 k( 421) = ( 0.5000000 -0.0000000 0.0407694), wk = 0.0021930 k( 422) = ( 0.5000000 -0.0000000 0.0305770), wk = 0.0021930 k( 423) = ( 0.5000000 -0.0000000 0.0203847), wk = 0.0021930 k( 424) = ( 0.5000000 -0.0000000 0.0101923), wk = 0.0021930 k( 425) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021930 k( 426) = ( 0.5000000 0.3223812 -0.0000000), wk = 0.0021930 k( 427) = ( 0.5000000 0.3223812 0.0101923), wk = 0.0021930 k( 428) = ( 0.5000000 0.3223812 0.0203847), wk = 0.0021930 k( 429) = ( 0.5000000 0.3223812 0.0305770), wk = 0.0021930 k( 430) = ( 0.5000000 0.3223812 0.0407694), wk = 0.0021930 k( 431) = ( 0.5000000 0.3223812 0.0509617), wk = 0.0021930 k( 432) = ( 0.5000000 0.3223812 0.0611541), wk = 0.0021930 k( 433) = ( 0.5000000 0.3223812 0.0713464), wk = 0.0021930 k( 434) = ( 0.5000000 0.3223812 0.0815388), wk = 0.0021930 k( 435) = ( 0.5000000 0.3223812 0.0917311), wk = 0.0021930 k( 436) = ( 0.5000000 0.3223812 0.1019234), wk = 0.0021930 k( 437) = ( 0.5000000 0.3223812 0.1121158), wk = 0.0021930 k( 438) = ( 0.5000000 0.3223812 0.1223081), wk = 0.0021930 k( 439) = ( 0.5000000 0.3223812 0.1325005), wk = 0.0021930 k( 440) = ( 0.5000000 0.3223812 0.1426928), wk = 0.0021930 k( 441) = ( 0.5000000 0.3223812 0.1528852), wk = 0.0021930 k( 442) = ( 0.5000000 0.3223812 0.1630775), wk = 0.0021930 k( 443) = ( 0.5000000 0.3223812 0.1732698), wk = 0.0021930 k( 444) = ( 0.5000000 0.3223812 0.1834622), wk = 0.0021930 k( 445) = ( 0.5000000 0.3223812 0.1936545), wk = 0.0021930 k( 446) = ( 0.5000000 0.3223812 0.2038469), wk = 0.0021930 k( 447) = ( 0.5000000 0.3223812 0.2140392), wk = 0.0021930 k( 448) = ( 0.5000000 0.3223812 0.2242316), wk = 0.0021930 k( 449) = ( 0.5000000 0.3223812 0.2344239), wk = 0.0021930 k( 450) = ( 0.5000000 0.3223812 0.2446163), wk = 0.0021930 k( 451) = ( 0.5000000 0.3223812 0.2548086), wk = 0.0021930 k( 452) = ( 0.5000000 0.3223812 0.2650009), wk = 0.0021930 k( 453) = ( 0.5000000 0.3223812 0.2751933), wk = 0.0021930 k( 454) = ( 0.5000000 0.3223812 0.2853856), wk = 0.0021930 k( 455) = ( 0.5000000 0.3223812 0.2955780), wk = 0.0021930 k( 456) = ( 0.5000000 0.3223812 0.3057703), wk = 0.0021930 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 2) = ( 0.0102041 0.0000000 -0.0000000), wk = 0.0021930 k( 3) = ( 0.0204082 0.0000000 -0.0000000), wk = 0.0021930 k( 4) = ( 0.0306122 0.0000000 0.0000000), wk = 0.0021930 k( 5) = ( 0.0408163 0.0000000 -0.0000000), wk = 0.0021930 k( 6) = ( 0.0510204 0.0000000 -0.0000000), wk = 0.0021930 k( 7) = ( 0.0612245 0.0000000 -0.0000000), wk = 0.0021930 k( 8) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0021930 k( 9) = ( 0.0816327 0.0000000 -0.0000000), wk = 0.0021930 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0021930 k( 11) = ( 0.1020408 0.0000000 -0.0000000), wk = 0.0021930 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0021930 k( 13) = ( 0.1224490 0.0000000 -0.0000000), wk = 0.0021930 k( 14) = ( 0.1326531 0.0000000 -0.0000000), wk = 0.0021930 k( 15) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0021930 k( 16) = ( 0.1530612 0.0000000 -0.0000000), wk = 0.0021930 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0021930 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0021930 k( 19) = ( 0.1836735 0.0000000 0.0000000), wk = 0.0021930 k( 20) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0021930 k( 21) = ( 0.2040816 0.0000000 -0.0000000), wk = 0.0021930 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0021930 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0021930 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0021930 k( 25) = ( 0.2448980 0.0000000 -0.0000000), wk = 0.0021930 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0021930 k( 27) = ( 0.2653061 0.0000000 -0.0000000), wk = 0.0021930 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0021930 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0021930 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0021930 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0021930 k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0021930 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0021930 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0021930 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0021930 k( 36) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0021930 k( 37) = ( 0.3673469 0.0000000 0.0000000), wk = 0.0021930 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0021930 k( 39) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0021930 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0021930 k( 41) = ( 0.4081633 0.0000000 -0.0000000), wk = 0.0021930 k( 42) = ( 0.4183674 0.0000000 -0.0000000), wk = 0.0021930 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0021930 k( 44) = ( 0.4387755 0.0000000 0.0000000), wk = 0.0021930 k( 45) = ( 0.4489796 0.0000000 -0.0000000), wk = 0.0021930 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0021930 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0021930 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0021930 k( 49) = ( 0.4897959 0.0000000 -0.0000000), wk = 0.0021930 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021930 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021930 k( 52) = ( 0.5000000 0.0156250 0.0000000), wk = 0.0021930 k( 53) = ( 0.5000000 0.0312500 0.0000000), wk = 0.0021930 k( 54) = ( 0.5000000 0.0468750 0.0000000), wk = 0.0021930 k( 55) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0021930 k( 56) = ( 0.5000000 0.0781250 0.0000000), wk = 0.0021930 k( 57) = ( 0.5000000 0.0937500 0.0000000), wk = 0.0021930 k( 58) = ( 0.5000000 0.1093750 0.0000000), wk = 0.0021930 k( 59) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0021930 k( 60) = ( 0.5000000 0.1406250 -0.0000000), wk = 0.0021930 k( 61) = ( 0.5000000 0.1562500 0.0000000), wk = 0.0021930 k( 62) = ( 0.5000000 0.1718750 0.0000000), wk = 0.0021930 k( 63) = ( 0.5000000 0.1875000 0.0000000), wk = 0.0021930 k( 64) = ( 0.5000000 0.2031250 0.0000000), wk = 0.0021930 k( 65) = ( 0.5000000 0.2187500 0.0000000), wk = 0.0021930 k( 66) = ( 0.5000000 0.2343750 0.0000000), wk = 0.0021930 k( 67) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0021930 k( 68) = ( 0.5000000 0.2656250 0.0000000), wk = 0.0021930 k( 69) = ( 0.5000000 0.2812500 0.0000000), wk = 0.0021930 k( 70) = ( 0.5000000 0.2968750 0.0000000), wk = 0.0021930 k( 71) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0021930 k( 72) = ( 0.5000000 0.3281250 0.0000000), wk = 0.0021930 k( 73) = ( 0.5000000 0.3437500 0.0000000), wk = 0.0021930 k( 74) = ( 0.5000000 0.3593750 0.0000000), wk = 0.0021930 k( 75) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0021930 k( 76) = ( 0.5000000 0.3906250 0.0000000), wk = 0.0021930 k( 77) = ( 0.5000000 0.4062500 0.0000000), wk = 0.0021930 k( 78) = ( 0.5000000 0.4218750 0.0000000), wk = 0.0021930 k( 79) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0021930 k( 80) = ( 0.5000000 0.4531250 -0.0000000), wk = 0.0021930 k( 81) = ( 0.5000000 0.4687500 0.0000000), wk = 0.0021930 k( 82) = ( 0.5000000 0.4843750 0.0000000), wk = 0.0021930 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021930 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021930 k( 85) = ( 0.4897959 0.5000000 0.0000000), wk = 0.0021930 k( 86) = ( 0.4795918 0.5000000 0.0000000), wk = 0.0021930 k( 87) = ( 0.4693878 0.5000000 0.0000000), wk = 0.0021930 k( 88) = ( 0.4591837 0.5000000 0.0000000), wk = 0.0021930 k( 89) = ( 0.4489796 0.5000000 -0.0000000), wk = 0.0021930 k( 90) = ( 0.4387755 0.5000000 -0.0000000), wk = 0.0021930 k( 91) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0021930 k( 92) = ( 0.4183674 0.5000000 0.0000000), wk = 0.0021930 k( 93) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0021930 k( 94) = ( 0.3979592 0.5000000 0.0000000), wk = 0.0021930 k( 95) = ( 0.3877551 0.5000000 -0.0000000), wk = 0.0021930 k( 96) = ( 0.3775510 0.5000000 0.0000000), wk = 0.0021930 k( 97) = ( 0.3673469 0.5000000 -0.0000000), wk = 0.0021930 k( 98) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0021930 k( 99) = ( 0.3469388 0.5000000 0.0000000), wk = 0.0021930 k( 100) = ( 0.3367347 0.5000000 0.0000000), wk = 0.0021930 k( 101) = ( 0.3265306 0.5000000 0.0000000), wk = 0.0021930 k( 102) = ( 0.3163265 0.5000000 0.0000000), wk = 0.0021930 k( 103) = ( 0.3061224 0.5000000 0.0000000), wk = 0.0021930 k( 104) = ( 0.2959184 0.5000000 0.0000000), wk = 0.0021930 k( 105) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0021930 k( 106) = ( 0.2755102 0.5000000 0.0000000), wk = 0.0021930 k( 107) = ( 0.2653061 0.5000000 0.0000000), wk = 0.0021930 k( 108) = ( 0.2551020 0.5000000 0.0000000), wk = 0.0021930 k( 109) = ( 0.2448980 0.5000000 0.0000000), wk = 0.0021930 k( 110) = ( 0.2346939 0.5000000 0.0000000), wk = 0.0021930 k( 111) = ( 0.2244898 0.5000000 0.0000000), wk = 0.0021930 k( 112) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0021930 k( 113) = ( 0.2040816 0.5000000 0.0000000), wk = 0.0021930 k( 114) = ( 0.1938776 0.5000000 0.0000000), wk = 0.0021930 k( 115) = ( 0.1836735 0.5000000 -0.0000000), wk = 0.0021930 k( 116) = ( 0.1734694 0.5000000 0.0000000), wk = 0.0021930 k( 117) = ( 0.1632653 0.5000000 0.0000000), wk = 0.0021930 k( 118) = ( 0.1530612 0.5000000 0.0000000), wk = 0.0021930 k( 119) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0021930 k( 120) = ( 0.1326531 0.5000000 0.0000000), wk = 0.0021930 k( 121) = ( 0.1224490 0.5000000 0.0000000), wk = 0.0021930 k( 122) = ( 0.1122449 0.5000000 0.0000000), wk = 0.0021930 k( 123) = ( 0.1020408 0.5000000 0.0000000), wk = 0.0021930 k( 124) = ( 0.0918367 0.5000000 0.0000000), wk = 0.0021930 k( 125) = ( 0.0816327 0.5000000 0.0000000), wk = 0.0021930 k( 126) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0021930 k( 127) = ( 0.0612245 0.5000000 0.0000000), wk = 0.0021930 k( 128) = ( 0.0510204 0.5000000 -0.0000000), wk = 0.0021930 k( 129) = ( 0.0408163 0.5000000 0.0000000), wk = 0.0021930 k( 130) = ( 0.0306122 0.5000000 0.0000000), wk = 0.0021930 k( 131) = ( 0.0204082 0.5000000 -0.0000000), wk = 0.0021930 k( 132) = ( 0.0102041 0.5000000 -0.0000000), wk = 0.0021930 k( 133) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021930 k( 134) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021930 k( 135) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0021930 k( 136) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0021930 k( 137) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0021930 k( 138) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0021930 k( 139) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0021930 k( 140) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0021930 k( 141) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0021930 k( 142) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0021930 k( 143) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0021930 k( 144) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0021930 k( 145) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0021930 k( 146) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0021930 k( 147) = ( 0.0000000 0.2968750 0.0000000), wk = 0.0021930 k( 148) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0021930 k( 149) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0021930 k( 150) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0021930 k( 151) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0021930 k( 152) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0021930 k( 153) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0021930 k( 154) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0021930 k( 155) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0021930 k( 156) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0021930 k( 157) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0021930 k( 158) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0021930 k( 159) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0021930 k( 160) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0021930 k( 161) = ( 0.0000000 0.0781250 0.0000000), wk = 0.0021930 k( 162) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0021930 k( 163) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0021930 k( 164) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0021930 k( 165) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0021930 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 168) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0021930 k( 169) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0021930 k( 170) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021930 k( 171) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0021930 k( 172) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021930 k( 173) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021930 k( 174) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0021930 k( 175) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0021930 k( 176) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021930 k( 177) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021930 k( 178) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0021930 k( 179) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021930 k( 180) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0021930 k( 181) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0021930 k( 182) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021930 k( 183) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0021930 k( 184) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0021930 k( 185) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021930 k( 186) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0021930 k( 187) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021930 k( 188) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021930 k( 189) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0021930 k( 190) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0021930 k( 191) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021930 k( 192) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021930 k( 193) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0021930 k( 194) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021930 k( 195) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0021930 k( 196) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0021930 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 199) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0021930 k( 200) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0021930 k( 201) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0021930 k( 202) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0021930 k( 203) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0021930 k( 204) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0021930 k( 205) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0021930 k( 206) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0021930 k( 207) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0021930 k( 208) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0021930 k( 209) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0021930 k( 210) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0021930 k( 211) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0021930 k( 212) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0021930 k( 213) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0021930 k( 214) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0021930 k( 215) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0021930 k( 216) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0021930 k( 217) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0021930 k( 218) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0021930 k( 219) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0021930 k( 220) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0021930 k( 221) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0021930 k( 222) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0021930 k( 223) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0021930 k( 224) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0021930 k( 225) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0021930 k( 226) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0021930 k( 227) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0021930 k( 228) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0021930 k( 229) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0021930 k( 230) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0021930 k( 231) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0021930 k( 232) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0021930 k( 233) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0021930 k( 234) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0021930 k( 235) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0021930 k( 236) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0021930 k( 237) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0021930 k( 238) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0021930 k( 239) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0021930 k( 240) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0021930 k( 241) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0021930 k( 242) = ( 0.4489796 0.0000000 0.5000000), wk = 0.0021930 k( 243) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0021930 k( 244) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0021930 k( 245) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0021930 k( 246) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0021930 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021930 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021930 k( 249) = ( 0.5000000 0.0156250 0.5000000), wk = 0.0021930 k( 250) = ( 0.5000000 0.0312500 0.5000000), wk = 0.0021930 k( 251) = ( 0.5000000 0.0468750 0.5000000), wk = 0.0021930 k( 252) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0021930 k( 253) = ( 0.5000000 0.0781250 0.5000000), wk = 0.0021930 k( 254) = ( 0.5000000 0.0937500 0.5000000), wk = 0.0021930 k( 255) = ( 0.5000000 0.1093750 0.5000000), wk = 0.0021930 k( 256) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0021930 k( 257) = ( 0.5000000 0.1406250 0.5000000), wk = 0.0021930 k( 258) = ( 0.5000000 0.1562500 0.5000000), wk = 0.0021930 k( 259) = ( 0.5000000 0.1718750 0.5000000), wk = 0.0021930 k( 260) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0021930 k( 261) = ( 0.5000000 0.2031250 0.5000000), wk = 0.0021930 k( 262) = ( 0.5000000 0.2187500 0.5000000), wk = 0.0021930 k( 263) = ( 0.5000000 0.2343750 0.5000000), wk = 0.0021930 k( 264) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0021930 k( 265) = ( 0.5000000 0.2656250 0.5000000), wk = 0.0021930 k( 266) = ( 0.5000000 0.2812500 0.5000000), wk = 0.0021930 k( 267) = ( 0.5000000 0.2968750 0.5000000), wk = 0.0021930 k( 268) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0021930 k( 269) = ( 0.5000000 0.3281250 0.5000000), wk = 0.0021930 k( 270) = ( 0.5000000 0.3437500 0.5000000), wk = 0.0021930 k( 271) = ( 0.5000000 0.3593750 0.5000000), wk = 0.0021930 k( 272) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0021930 k( 273) = ( 0.5000000 0.3906250 0.5000000), wk = 0.0021930 k( 274) = ( 0.5000000 0.4062500 0.5000000), wk = 0.0021930 k( 275) = ( 0.5000000 0.4218750 0.5000000), wk = 0.0021930 k( 276) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0021930 k( 277) = ( 0.5000000 0.4531250 0.5000000), wk = 0.0021930 k( 278) = ( 0.5000000 0.4687500 0.5000000), wk = 0.0021930 k( 279) = ( 0.5000000 0.4843750 0.5000000), wk = 0.0021930 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021930 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021930 k( 282) = ( 0.4897959 0.5000000 0.5000000), wk = 0.0021930 k( 283) = ( 0.4795918 0.5000000 0.5000000), wk = 0.0021930 k( 284) = ( 0.4693878 0.5000000 0.5000000), wk = 0.0021930 k( 285) = ( 0.4591837 0.5000000 0.5000000), wk = 0.0021930 k( 286) = ( 0.4489796 0.5000000 0.5000000), wk = 0.0021930 k( 287) = ( 0.4387755 0.5000000 0.5000000), wk = 0.0021930 k( 288) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0021930 k( 289) = ( 0.4183674 0.5000000 0.5000000), wk = 0.0021930 k( 290) = ( 0.4081633 0.5000000 0.5000000), wk = 0.0021930 k( 291) = ( 0.3979592 0.5000000 0.5000000), wk = 0.0021930 k( 292) = ( 0.3877551 0.5000000 0.5000000), wk = 0.0021930 k( 293) = ( 0.3775510 0.5000000 0.5000000), wk = 0.0021930 k( 294) = ( 0.3673469 0.5000000 0.5000000), wk = 0.0021930 k( 295) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0021930 k( 296) = ( 0.3469388 0.5000000 0.5000000), wk = 0.0021930 k( 297) = ( 0.3367347 0.5000000 0.5000000), wk = 0.0021930 k( 298) = ( 0.3265306 0.5000000 0.5000000), wk = 0.0021930 k( 299) = ( 0.3163265 0.5000000 0.5000000), wk = 0.0021930 k( 300) = ( 0.3061224 0.5000000 0.5000000), wk = 0.0021930 k( 301) = ( 0.2959184 0.5000000 0.5000000), wk = 0.0021930 k( 302) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0021930 k( 303) = ( 0.2755102 0.5000000 0.5000000), wk = 0.0021930 k( 304) = ( 0.2653061 0.5000000 0.5000000), wk = 0.0021930 k( 305) = ( 0.2551020 0.5000000 0.5000000), wk = 0.0021930 k( 306) = ( 0.2448980 0.5000000 0.5000000), wk = 0.0021930 k( 307) = ( 0.2346939 0.5000000 0.5000000), wk = 0.0021930 k( 308) = ( 0.2244898 0.5000000 0.5000000), wk = 0.0021930 k( 309) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0021930 k( 310) = ( 0.2040816 0.5000000 0.5000000), wk = 0.0021930 k( 311) = ( 0.1938776 0.5000000 0.5000000), wk = 0.0021930 k( 312) = ( 0.1836735 0.5000000 0.5000000), wk = 0.0021930 k( 313) = ( 0.1734694 0.5000000 0.5000000), wk = 0.0021930 k( 314) = ( 0.1632653 0.5000000 0.5000000), wk = 0.0021930 k( 315) = ( 0.1530612 0.5000000 0.5000000), wk = 0.0021930 k( 316) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0021930 k( 317) = ( 0.1326531 0.5000000 0.5000000), wk = 0.0021930 k( 318) = ( 0.1224490 0.5000000 0.5000000), wk = 0.0021930 k( 319) = ( 0.1122449 0.5000000 0.5000000), wk = 0.0021930 k( 320) = ( 0.1020408 0.5000000 0.5000000), wk = 0.0021930 k( 321) = ( 0.0918367 0.5000000 0.5000000), wk = 0.0021930 k( 322) = ( 0.0816327 0.5000000 0.5000000), wk = 0.0021930 k( 323) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0021930 k( 324) = ( 0.0612245 0.5000000 0.5000000), wk = 0.0021930 k( 325) = ( 0.0510204 0.5000000 0.5000000), wk = 0.0021930 k( 326) = ( 0.0408163 0.5000000 0.5000000), wk = 0.0021930 k( 327) = ( 0.0306122 0.5000000 0.5000000), wk = 0.0021930 k( 328) = ( 0.0204082 0.5000000 0.5000000), wk = 0.0021930 k( 329) = ( 0.0102041 0.5000000 0.5000000), wk = 0.0021930 k( 330) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021930 k( 331) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021930 k( 332) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0021930 k( 333) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0021930 k( 334) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0021930 k( 335) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0021930 k( 336) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0021930 k( 337) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0021930 k( 338) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0021930 k( 339) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0021930 k( 340) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0021930 k( 341) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0021930 k( 342) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0021930 k( 343) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0021930 k( 344) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0021930 k( 345) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0021930 k( 346) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0021930 k( 347) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0021930 k( 348) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0021930 k( 349) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0021930 k( 350) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0021930 k( 351) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0021930 k( 352) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0021930 k( 353) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0021930 k( 354) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0021930 k( 355) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0021930 k( 356) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0021930 k( 357) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0021930 k( 358) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0021930 k( 359) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0021930 k( 360) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0021930 k( 361) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0021930 k( 362) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0021930 k( 363) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 364) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021930 k( 365) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0021930 k( 366) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0021930 k( 367) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0021930 k( 368) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0021930 k( 369) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0021930 k( 370) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021930 k( 371) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0021930 k( 372) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0021930 k( 373) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0021930 k( 374) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021930 k( 375) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0021930 k( 376) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021930 k( 377) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0021930 k( 378) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0021930 k( 379) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021930 k( 380) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0021930 k( 381) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0021930 k( 382) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021930 k( 383) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0021930 k( 384) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021930 k( 385) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0021930 k( 386) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0021930 k( 387) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0021930 k( 388) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021930 k( 389) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0021930 k( 390) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0021930 k( 391) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0021930 k( 392) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0021930 k( 393) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0021930 k( 394) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021930 k( 395) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021930 k( 396) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0021930 k( 397) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0021930 k( 398) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0021930 k( 399) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0021930 k( 400) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0021930 k( 401) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0021930 k( 402) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0021930 k( 403) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0021930 k( 404) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0021930 k( 405) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0021930 k( 406) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0021930 k( 407) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0021930 k( 408) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0021930 k( 409) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0021930 k( 410) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0021930 k( 411) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0021930 k( 412) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0021930 k( 413) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0021930 k( 414) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0021930 k( 415) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0021930 k( 416) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0021930 k( 417) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0021930 k( 418) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0021930 k( 419) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0021930 k( 420) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0021930 k( 421) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0021930 k( 422) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0021930 k( 423) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0021930 k( 424) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0021930 k( 425) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021930 k( 426) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021930 k( 427) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0021930 k( 428) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0021930 k( 429) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0021930 k( 430) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0021930 k( 431) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0021930 k( 432) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0021930 k( 433) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0021930 k( 434) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0021930 k( 435) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0021930 k( 436) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0021930 k( 437) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0021930 k( 438) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0021930 k( 439) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0021930 k( 440) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0021930 k( 441) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0021930 k( 442) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0021930 k( 443) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0021930 k( 444) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0021930 k( 445) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0021930 k( 446) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0021930 k( 447) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0021930 k( 448) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0021930 k( 449) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0021930 k( 450) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0021930 k( 451) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0021930 k( 452) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0021930 k( 453) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0021930 k( 454) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0021930 k( 455) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0021930 k( 456) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021930 Dense grid: 156841 G-vectors FFT dimensions: ( 50, 80, 81) Smooth grid: 35171 G-vectors FFT dimensions: ( 30, 48, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 276, 52) NL pseudopotentials 0.20 Mb ( 138, 96) Each V/rho on FFT grid 0.18 Mb ( 12000) Each G-vector array 0.04 Mb ( 4902) G-vector shells 0.02 Mb ( 2465) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 276, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.15 Mb ( 96, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./MgCd.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 total cpu time spent up to now is 12.6 secs Computing kpt #: 9 total cpu time spent up to now is 13.7 secs Computing kpt #: 10 total cpu time spent up to now is 14.8 secs Computing kpt #: 11 total cpu time spent up to now is 15.8 secs Computing kpt #: 12 total cpu time spent up to now is 16.8 secs Computing kpt #: 13 total cpu time spent up to now is 17.8 secs Computing kpt #: 14 total cpu time spent up to now is 18.7 secs Computing kpt #: 15 total cpu time spent up to now is 19.6 secs Computing kpt #: 16 total cpu time spent up to now is 20.5 secs Computing kpt #: 17 total cpu time spent up to now is 21.4 secs Computing kpt #: 18 total cpu time spent up to now is 22.3 secs Computing kpt #: 19 total cpu time spent up to now is 23.2 secs Computing kpt #: 20 total cpu time spent up to now is 24.1 secs Computing kpt #: 21 total cpu time spent up to now is 25.0 secs Computing kpt #: 22 total cpu time spent up to now is 26.0 secs Computing kpt #: 23 total cpu time spent up to now is 26.9 secs Computing kpt #: 24 total cpu time spent up to now is 27.9 secs Computing kpt #: 25 total cpu time spent up to now is 28.8 secs Computing kpt #: 26 total cpu time spent up to now is 29.8 secs Computing kpt #: 27 total cpu time spent up to now is 30.9 secs Computing kpt #: 28 total cpu time spent up to now is 32.1 secs Computing kpt #: 29 total cpu time spent up to now is 33.3 secs Computing kpt #: 30 total cpu time spent up to now is 34.7 secs Computing kpt #: 31 total cpu time spent up to now is 36.1 secs Computing kpt #: 32 total cpu time spent up to now is 37.8 secs Computing kpt #: 33 total cpu time spent up to now is 39.7 secs Computing kpt #: 34 total cpu time spent up to now is 41.4 secs Computing kpt #: 35 total cpu time spent up to now is 42.7 secs Computing kpt #: 36 total cpu time spent up to now is 43.9 secs Computing kpt #: 37 total cpu time spent up to now is 45.0 secs Computing kpt #: 38 total cpu time spent up to now is 46.0 secs Computing kpt #: 39 total cpu time spent up to now is 47.0 secs Computing kpt #: 40 total cpu time spent up to now is 48.1 secs Computing kpt #: 41 total cpu time spent up to now is 49.1 secs Computing kpt #: 42 total cpu time spent up to now is 50.1 secs Computing kpt #: 43 total cpu time spent up to now is 51.2 secs Computing kpt #: 44 total cpu time spent up to now is 52.2 secs Computing kpt #: 45 total cpu time spent up to now is 53.3 secs Computing kpt #: 46 total cpu time spent up to now is 54.4 secs Computing kpt #: 47 total cpu time spent up to now is 55.4 secs Computing kpt #: 48 total cpu time spent up to now is 56.5 secs Computing kpt #: 49 total cpu time spent up to now is 57.6 secs Computing kpt #: 50 total cpu time spent up to now is 58.7 secs Computing kpt #: 51 total cpu time spent up to now is 59.8 secs Computing kpt #: 52 total cpu time spent up to now is 60.9 secs Computing kpt #: 53 total cpu time spent up to now is 62.0 secs Computing kpt #: 54 total cpu time spent up to now is 63.1 secs Computing kpt #: 55 total cpu time spent up to now is 64.1 secs Computing kpt #: 56 total cpu time spent up to now is 65.1 secs Computing kpt #: 57 total cpu time spent up to now is 66.1 secs Computing kpt #: 58 total cpu time spent up to now is 67.0 secs Computing kpt #: 59 total cpu time spent up to now is 68.0 secs Computing kpt #: 60 total cpu time spent up to now is 68.9 secs Computing kpt #: 61 total cpu time spent up to now is 69.8 secs Computing kpt #: 62 total cpu time spent up to now is 70.7 secs Computing kpt #: 63 total cpu time spent up to now is 71.6 secs Computing kpt #: 64 total cpu time spent up to now is 72.5 secs Computing kpt #: 65 total cpu time spent up to now is 73.4 secs Computing kpt #: 66 total cpu time spent up to now is 74.3 secs Computing kpt #: 67 total cpu time spent up to now is 75.2 secs Computing kpt #: 68 total cpu time spent up to now is 76.0 secs Computing kpt #: 69 total cpu time spent up to now is 76.9 secs Computing kpt #: 70 total cpu time spent up to now is 77.9 secs Computing kpt #: 71 total cpu time spent up to now is 78.8 secs Computing kpt #: 72 total cpu time spent up to now is 79.7 secs Computing kpt #: 73 total cpu time spent up to now is 80.6 secs Computing kpt #: 74 total cpu time spent up to now is 81.5 secs Computing kpt #: 75 total cpu time spent up to now is 82.5 secs Computing kpt #: 76 total cpu time spent up to now is 83.4 secs Computing kpt #: 77 total cpu time spent up to now is 84.3 secs Computing kpt #: 78 total cpu time spent up to now is 85.3 secs Computing kpt #: 79 total cpu time spent up to now is 86.3 secs Computing kpt #: 80 total cpu time spent up to now is 87.5 secs Computing kpt #: 81 total cpu time spent up to now is 88.9 secs Computing kpt #: 82 total cpu time spent up to now is 90.3 secs Computing kpt #: 83 total cpu time spent up to now is 91.6 secs Computing kpt #: 84 total cpu time spent up to now is 92.8 secs Computing kpt #: 85 total cpu time spent up to now is 94.0 secs Computing kpt #: 86 total cpu time spent up to now is 95.0 secs Computing kpt #: 87 total cpu time spent up to now is 96.0 secs Computing kpt #: 88 total cpu time spent up to now is 97.0 secs Computing kpt #: 89 total cpu time spent up to now is 97.9 secs Computing kpt #: 90 total cpu time spent up to now is 98.9 secs Computing kpt #: 91 total cpu time spent up to now is 99.8 secs Computing kpt #: 92 total cpu time spent up to now is 100.7 secs Computing kpt #: 93 total cpu time spent up to now is 101.6 secs Computing kpt #: 94 total cpu time spent up to now is 102.5 secs Computing kpt #: 95 total cpu time spent up to now is 103.5 secs Computing kpt #: 96 total cpu time spent up to now is 104.4 secs Computing kpt #: 97 total cpu time spent up to now is 105.2 secs Computing kpt #: 98 total cpu time spent up to now is 106.0 secs Computing kpt #: 99 total cpu time spent up to now is 106.9 secs Computing kpt #: 100 total cpu time spent up to now is 107.7 secs Computing kpt #: 101 total cpu time spent up to now is 108.5 secs Computing kpt #: 102 total cpu time spent up to now is 109.3 secs Computing kpt #: 103 total cpu time spent up to now is 110.1 secs Computing kpt #: 104 total cpu time spent up to now is 110.9 secs Computing kpt #: 105 total cpu time spent up to now is 111.7 secs Computing kpt #: 106 total cpu time spent up to now is 112.5 secs Computing kpt #: 107 total cpu time spent up to now is 113.3 secs Computing kpt #: 108 total cpu time spent up to now is 114.1 secs Computing kpt #: 109 total cpu time spent up to now is 114.9 secs Computing kpt #: 110 total cpu time spent up to now is 115.7 secs Computing kpt #: 111 total cpu time spent up to now is 116.5 secs Computing kpt #: 112 total cpu time spent up to now is 117.3 secs Computing kpt #: 113 total cpu time spent up to now is 118.1 secs Computing kpt #: 114 total cpu time spent up to now is 119.0 secs Computing kpt #: 115 total cpu time spent up to now is 119.9 secs Computing kpt #: 116 total cpu time spent up to now is 120.8 secs Computing kpt #: 117 total cpu time spent up to now is 121.8 secs Computing kpt #: 118 total cpu time spent up to now is 122.7 secs Computing kpt #: 119 total cpu time spent up to now is 123.6 secs Computing kpt #: 120 total cpu time spent up to now is 124.6 secs Computing kpt #: 121 total cpu time spent up to now is 125.5 secs Computing kpt #: 122 total cpu time spent up to now is 126.6 secs Computing kpt #: 123 total cpu time spent up to now is 127.6 secs Computing kpt #: 124 total cpu time spent up to now is 128.7 secs Computing kpt #: 125 total cpu time spent up to now is 129.8 secs Computing kpt #: 126 total cpu time spent up to now is 130.9 secs Computing kpt #: 127 total cpu time spent up to now is 132.0 secs Computing kpt #: 128 total cpu time spent up to now is 133.0 secs Computing kpt #: 129 total cpu time spent up to now is 134.1 secs Computing kpt #: 130 total cpu time spent up to now is 135.1 secs Computing kpt #: 131 total cpu time spent up to now is 136.0 secs Computing kpt #: 132 total cpu time spent up to now is 137.0 secs Computing kpt #: 133 total cpu time spent up to now is 137.9 secs Computing kpt #: 134 total cpu time spent up to now is 138.9 secs Computing kpt #: 135 total cpu time spent up to now is 139.9 secs Computing kpt #: 136 total cpu time spent up to now is 141.0 secs Computing kpt #: 137 total cpu time spent up to now is 142.2 secs Computing kpt #: 138 total cpu time spent up to now is 143.6 secs Computing kpt #: 139 total cpu time spent up to now is 145.1 secs Computing kpt #: 140 total cpu time spent up to now is 146.2 secs Computing kpt #: 141 total cpu time spent up to now is 147.2 secs Computing kpt #: 142 total cpu time spent up to now is 148.1 secs Computing kpt #: 143 total cpu time spent up to now is 149.1 secs Computing kpt #: 144 total cpu time spent up to now is 150.0 secs Computing kpt #: 145 total cpu time spent up to now is 151.0 secs Computing kpt #: 146 total cpu time spent up to now is 151.9 secs Computing kpt #: 147 total cpu time spent up to now is 152.9 secs Computing kpt #: 148 total cpu time spent up to now is 153.8 secs Computing kpt #: 149 total cpu time spent up to now is 154.8 secs Computing kpt #: 150 total cpu time spent up to now is 155.8 secs Computing kpt #: 151 total cpu time spent up to now is 156.8 secs Computing kpt #: 152 total cpu time spent up to now is 157.8 secs Computing kpt #: 153 total cpu time spent up to now is 158.9 secs Computing kpt #: 154 total cpu time spent up to now is 160.0 secs Computing kpt #: 155 total cpu time spent up to now is 161.3 secs Computing kpt #: 156 total cpu time spent up to now is 162.9 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.9 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.8 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.7 secs Computing kpt #: 160 total cpu time spent up to now is 170.4 secs Computing kpt #: 161 total cpu time spent up to now is 171.8 secs Computing kpt #: 162 total cpu time spent up to now is 173.1 secs Computing kpt #: 163 total cpu time spent up to now is 174.7 secs Computing kpt #: 164 total cpu time spent up to now is 176.2 secs Computing kpt #: 165 total cpu time spent up to now is 177.4 secs Computing kpt #: 166 total cpu time spent up to now is 178.7 secs Computing kpt #: 167 total cpu time spent up to now is 180.2 secs Computing kpt #: 168 total cpu time spent up to now is 181.8 secs Computing kpt #: 169 total cpu time spent up to now is 183.3 secs Computing kpt #: 170 total cpu time spent up to now is 184.7 secs Computing kpt #: 171 total cpu time spent up to now is 186.3 secs Computing kpt #: 172 total cpu time spent up to now is 187.9 secs Computing kpt #: 173 total cpu time spent up to now is 189.4 secs Computing kpt #: 174 total cpu time spent up to now is 191.0 secs Computing kpt #: 175 total cpu time spent up to now is 192.6 secs Computing kpt #: 176 total cpu time spent up to now is 194.4 secs Computing kpt #: 177 total cpu time spent up to now is 195.8 secs Computing kpt #: 178 total cpu time spent up to now is 197.2 secs Computing kpt #: 179 total cpu time spent up to now is 198.6 secs Computing kpt #: 180 total cpu time spent up to now is 199.7 secs Computing kpt #: 181 total cpu time spent up to now is 200.8 secs Computing kpt #: 182 total cpu time spent up to now is 201.8 secs Computing kpt #: 183 total cpu time spent up to now is 202.8 secs Computing kpt #: 184 total cpu time spent up to now is 203.8 secs Computing kpt #: 185 total cpu time spent up to now is 204.8 secs Computing kpt #: 186 total cpu time spent up to now is 205.7 secs Computing kpt #: 187 total cpu time spent up to now is 206.7 secs Computing kpt #: 188 total cpu time spent up to now is 207.8 secs Computing kpt #: 189 total cpu time spent up to now is 209.1 secs Computing kpt #: 190 total cpu time spent up to now is 210.5 secs Computing kpt #: 191 total cpu time spent up to now is 211.8 secs Computing kpt #: 192 total cpu time spent up to now is 212.8 secs Computing kpt #: 193 total cpu time spent up to now is 213.7 secs Computing kpt #: 194 total cpu time spent up to now is 214.7 secs Computing kpt #: 195 total cpu time spent up to now is 215.6 secs Computing kpt #: 196 total cpu time spent up to now is 216.5 secs Computing kpt #: 197 total cpu time spent up to now is 217.4 secs Computing kpt #: 198 total cpu time spent up to now is 218.3 secs Computing kpt #: 199 total cpu time spent up to now is 219.2 secs Computing kpt #: 200 total cpu time spent up to now is 220.1 secs Computing kpt #: 201 total cpu time spent up to now is 221.0 secs Computing kpt #: 202 total cpu time spent up to now is 221.9 secs Computing kpt #: 203 total cpu time spent up to now is 222.8 secs Computing kpt #: 204 total cpu time spent up to now is 223.8 secs Computing kpt #: 205 total cpu time spent up to now is 224.7 secs Computing kpt #: 206 total cpu time spent up to now is 225.7 secs Computing kpt #: 207 total cpu time spent up to now is 226.9 secs Computing kpt #: 208 total cpu time spent up to now is 228.3 secs Computing kpt #: 209 total cpu time spent up to now is 229.7 secs Computing kpt #: 210 total cpu time spent up to now is 231.1 secs Computing kpt #: 211 total cpu time spent up to now is 232.5 secs Computing kpt #: 212 total cpu time spent up to now is 233.9 secs Computing kpt #: 213 total cpu time spent up to now is 235.1 secs Computing kpt #: 214 total cpu time spent up to now is 236.2 secs Computing kpt #: 215 total cpu time spent up to now is 237.1 secs Computing kpt #: 216 total cpu time spent up to now is 238.1 secs Computing kpt #: 217 total cpu time spent up to now is 239.0 secs Computing kpt #: 218 total cpu time spent up to now is 239.9 secs Computing kpt #: 219 total cpu time spent up to now is 240.9 secs Computing kpt #: 220 total cpu time spent up to now is 241.8 secs Computing kpt #: 221 total cpu time spent up to now is 242.7 secs Computing kpt #: 222 total cpu time spent up to now is 243.5 secs Computing kpt #: 223 total cpu time spent up to now is 244.3 secs Computing kpt #: 224 total cpu time spent up to now is 245.1 secs Computing kpt #: 225 total cpu time spent up to now is 246.0 secs Computing kpt #: 226 total cpu time spent up to now is 246.8 secs Computing kpt #: 227 total cpu time spent up to now is 247.6 secs Computing kpt #: 228 total cpu time spent up to now is 248.4 secs Computing kpt #: 229 total cpu time spent up to now is 249.3 secs Computing kpt #: 230 total cpu time spent up to now is 250.1 secs Computing kpt #: 231 total cpu time spent up to now is 250.9 secs Computing kpt #: 232 total cpu time spent up to now is 251.8 secs Computing kpt #: 233 total cpu time spent up to now is 252.6 secs Computing kpt #: 234 total cpu time spent up to now is 253.5 secs Computing kpt #: 235 total cpu time spent up to now is 254.5 secs Computing kpt #: 236 total cpu time spent up to now is 255.4 secs Computing kpt #: 237 total cpu time spent up to now is 256.3 secs Computing kpt #: 238 total cpu time spent up to now is 257.2 secs Computing kpt #: 239 total cpu time spent up to now is 258.2 secs Computing kpt #: 240 total cpu time spent up to now is 259.1 secs Computing kpt #: 241 total cpu time spent up to now is 260.1 secs Computing kpt #: 242 total cpu time spent up to now is 261.0 secs Computing kpt #: 243 total cpu time spent up to now is 262.0 secs Computing kpt #: 244 total cpu time spent up to now is 263.1 secs Computing kpt #: 245 total cpu time spent up to now is 264.2 secs Computing kpt #: 246 total cpu time spent up to now is 265.3 secs Computing kpt #: 247 total cpu time spent up to now is 266.6 secs Computing kpt #: 248 total cpu time spent up to now is 267.8 secs Computing kpt #: 249 total cpu time spent up to now is 269.0 secs Computing kpt #: 250 total cpu time spent up to now is 270.2 secs Computing kpt #: 251 total cpu time spent up to now is 271.4 secs Computing kpt #: 252 total cpu time spent up to now is 272.5 secs Computing kpt #: 253 total cpu time spent up to now is 273.5 secs Computing kpt #: 254 total cpu time spent up to now is 274.4 secs Computing kpt #: 255 total cpu time spent up to now is 275.3 secs Computing kpt #: 256 total cpu time spent up to now is 276.2 secs Computing kpt #: 257 total cpu time spent up to now is 277.1 secs Computing kpt #: 258 total cpu time spent up to now is 278.0 secs Computing kpt #: 259 total cpu time spent up to now is 278.8 secs Computing kpt #: 260 total cpu time spent up to now is 279.6 secs Computing kpt #: 261 total cpu time spent up to now is 280.4 secs Computing kpt #: 262 total cpu time spent up to now is 281.1 secs Computing kpt #: 263 total cpu time spent up to now is 281.9 secs Computing kpt #: 264 total cpu time spent up to now is 282.7 secs Computing kpt #: 265 total cpu time spent up to now is 283.4 secs Computing kpt #: 266 total cpu time spent up to now is 284.2 secs Computing kpt #: 267 total cpu time spent up to now is 285.0 secs Computing kpt #: 268 total cpu time spent up to now is 285.7 secs Computing kpt #: 269 total cpu time spent up to now is 286.5 secs Computing kpt #: 270 total cpu time spent up to now is 287.2 secs Computing kpt #: 271 total cpu time spent up to now is 288.0 secs Computing kpt #: 272 total cpu time spent up to now is 288.7 secs Computing kpt #: 273 total cpu time spent up to now is 289.5 secs Computing kpt #: 274 total cpu time spent up to now is 290.2 secs Computing kpt #: 275 total cpu time spent up to now is 291.0 secs Computing kpt #: 276 total cpu time spent up to now is 291.7 secs Computing kpt #: 277 total cpu time spent up to now is 292.4 secs Computing kpt #: 278 total cpu time spent up to now is 293.1 secs Computing kpt #: 279 total cpu time spent up to now is 293.9 secs Computing kpt #: 280 total cpu time spent up to now is 294.6 secs Computing kpt #: 281 total cpu time spent up to now is 295.3 secs Computing kpt #: 282 total cpu time spent up to now is 296.0 secs Computing kpt #: 283 total cpu time spent up to now is 296.7 secs Computing kpt #: 284 total cpu time spent up to now is 297.4 secs Computing kpt #: 285 total cpu time spent up to now is 298.1 secs Computing kpt #: 286 total cpu time spent up to now is 298.9 secs Computing kpt #: 287 total cpu time spent up to now is 299.6 secs Computing kpt #: 288 total cpu time spent up to now is 300.4 secs Computing kpt #: 289 total cpu time spent up to now is 301.1 secs Computing kpt #: 290 total cpu time spent up to now is 301.9 secs Computing kpt #: 291 total cpu time spent up to now is 302.6 secs Computing kpt #: 292 total cpu time spent up to now is 303.4 secs Computing kpt #: 293 total cpu time spent up to now is 304.2 secs Computing kpt #: 294 total cpu time spent up to now is 304.9 secs Computing kpt #: 295 total cpu time spent up to now is 305.7 secs Computing kpt #: 296 total cpu time spent up to now is 306.4 secs Computing kpt #: 297 total cpu time spent up to now is 307.2 secs Computing kpt #: 298 total cpu time spent up to now is 308.0 secs Computing kpt #: 299 total cpu time spent up to now is 308.7 secs Computing kpt #: 300 total cpu time spent up to now is 309.5 secs Computing kpt #: 301 total cpu time spent up to now is 310.3 secs Computing kpt #: 302 total cpu time spent up to now is 311.1 secs Computing kpt #: 303 total cpu time spent up to now is 311.8 secs Computing kpt #: 304 total cpu time spent up to now is 312.7 secs Computing kpt #: 305 total cpu time spent up to now is 313.6 secs Computing kpt #: 306 total cpu time spent up to now is 314.5 secs Computing kpt #: 307 total cpu time spent up to now is 315.4 secs Computing kpt #: 308 total cpu time spent up to now is 316.3 secs Computing kpt #: 309 total cpu time spent up to now is 317.2 secs Computing kpt #: 310 total cpu time spent up to now is 318.2 secs Computing kpt #: 311 total cpu time spent up to now is 319.2 secs Computing kpt #: 312 total cpu time spent up to now is 320.3 secs Computing kpt #: 313 total cpu time spent up to now is 321.5 secs Computing kpt #: 314 total cpu time spent up to now is 322.7 secs Computing kpt #: 315 total cpu time spent up to now is 323.9 secs Computing kpt #: 316 total cpu time spent up to now is 325.5 secs Computing kpt #: 317 total cpu time spent up to now is 326.6 secs Computing kpt #: 318 total cpu time spent up to now is 327.9 secs Computing kpt #: 319 total cpu time spent up to now is 329.1 secs Computing kpt #: 320 total cpu time spent up to now is 330.3 secs Computing kpt #: 321 total cpu time spent up to now is 331.5 secs Computing kpt #: 322 total cpu time spent up to now is 332.7 secs Computing kpt #: 323 total cpu time spent up to now is 334.0 secs Computing kpt #: 324 total cpu time spent up to now is 335.3 secs Computing kpt #: 325 total cpu time spent up to now is 336.5 secs Computing kpt #: 326 total cpu time spent up to now is 337.7 secs Computing kpt #: 327 total cpu time spent up to now is 338.9 secs Computing kpt #: 328 total cpu time spent up to now is 340.2 secs Computing kpt #: 329 total cpu time spent up to now is 341.5 secs Computing kpt #: 330 total cpu time spent up to now is 342.8 secs Computing kpt #: 331 total cpu time spent up to now is 344.0 secs Computing kpt #: 332 total cpu time spent up to now is 345.4 secs Computing kpt #: 333 total cpu time spent up to now is 346.7 secs Computing kpt #: 334 total cpu time spent up to now is 347.8 secs Computing kpt #: 335 total cpu time spent up to now is 348.9 secs Computing kpt #: 336 total cpu time spent up to now is 350.0 secs Computing kpt #: 337 total cpu time spent up to now is 351.1 secs Computing kpt #: 338 total cpu time spent up to now is 352.1 secs Computing kpt #: 339 total cpu time spent up to now is 353.1 secs Computing kpt #: 340 total cpu time spent up to now is 354.1 secs Computing kpt #: 341 total cpu time spent up to now is 355.0 secs Computing kpt #: 342 total cpu time spent up to now is 356.0 secs Computing kpt #: 343 total cpu time spent up to now is 357.0 secs Computing kpt #: 344 total cpu time spent up to now is 357.9 secs Computing kpt #: 345 total cpu time spent up to now is 358.8 secs Computing kpt #: 346 total cpu time spent up to now is 359.7 secs Computing kpt #: 347 total cpu time spent up to now is 360.7 secs Computing kpt #: 348 total cpu time spent up to now is 361.6 secs Computing kpt #: 349 total cpu time spent up to now is 362.5 secs Computing kpt #: 350 total cpu time spent up to now is 363.4 secs Computing kpt #: 351 total cpu time spent up to now is 364.3 secs Computing kpt #: 352 total cpu time spent up to now is 365.2 secs Computing kpt #: 353 total cpu time spent up to now is 366.1 secs Computing kpt #: 354 total cpu time spent up to now is 367.0 secs Computing kpt #: 355 total cpu time spent up to now is 367.9 secs Computing kpt #: 356 total cpu time spent up to now is 368.8 secs Computing kpt #: 357 total cpu time spent up to now is 369.7 secs Computing kpt #: 358 total cpu time spent up to now is 370.6 secs Computing kpt #: 359 total cpu time spent up to now is 371.5 secs Computing kpt #: 360 total cpu time spent up to now is 372.4 secs Computing kpt #: 361 total cpu time spent up to now is 373.3 secs Computing kpt #: 362 total cpu time spent up to now is 374.2 secs Computing kpt #: 363 total cpu time spent up to now is 375.1 secs Computing kpt #: 364 total cpu time spent up to now is 376.0 secs Computing kpt #: 365 total cpu time spent up to now is 376.9 secs Computing kpt #: 366 total cpu time spent up to now is 377.9 secs Computing kpt #: 367 total cpu time spent up to now is 378.8 secs Computing kpt #: 368 total cpu time spent up to now is 379.7 secs Computing kpt #: 369 total cpu time spent up to now is 380.7 secs Computing kpt #: 370 total cpu time spent up to now is 381.6 secs Computing kpt #: 371 total cpu time spent up to now is 382.5 secs Computing kpt #: 372 total cpu time spent up to now is 383.5 secs Computing kpt #: 373 total cpu time spent up to now is 384.4 secs Computing kpt #: 374 total cpu time spent up to now is 385.4 secs Computing kpt #: 375 total cpu time spent up to now is 386.3 secs Computing kpt #: 376 total cpu time spent up to now is 387.3 secs Computing kpt #: 377 total cpu time spent up to now is 388.2 secs Computing kpt #: 378 total cpu time spent up to now is 389.1 secs Computing kpt #: 379 total cpu time spent up to now is 390.1 secs Computing kpt #: 380 total cpu time spent up to now is 391.1 secs Computing kpt #: 381 total cpu time spent up to now is 392.0 secs Computing kpt #: 382 total cpu time spent up to now is 393.0 secs Computing kpt #: 383 total cpu time spent up to now is 394.0 secs Computing kpt #: 384 total cpu time spent up to now is 395.0 secs Computing kpt #: 385 total cpu time spent up to now is 395.9 secs Computing kpt #: 386 total cpu time spent up to now is 397.0 secs Computing kpt #: 387 total cpu time spent up to now is 398.0 secs Computing kpt #: 388 total cpu time spent up to now is 399.0 secs Computing kpt #: 389 total cpu time spent up to now is 400.1 secs Computing kpt #: 390 total cpu time spent up to now is 401.2 secs Computing kpt #: 391 total cpu time spent up to now is 402.4 secs Computing kpt #: 392 total cpu time spent up to now is 403.6 secs Computing kpt #: 393 total cpu time spent up to now is 404.9 secs Computing kpt #: 394 total cpu time spent up to now is 406.1 secs Computing kpt #: 395 total cpu time spent up to now is 407.3 secs Computing kpt #: 396 total cpu time spent up to now is 408.6 secs Computing kpt #: 397 total cpu time spent up to now is 409.8 secs Computing kpt #: 398 total cpu time spent up to now is 411.1 secs Computing kpt #: 399 total cpu time spent up to now is 412.3 secs Computing kpt #: 400 total cpu time spent up to now is 413.5 secs Computing kpt #: 401 total cpu time spent up to now is 414.7 secs Computing kpt #: 402 total cpu time spent up to now is 415.9 secs Computing kpt #: 403 total cpu time spent up to now is 417.0 secs Computing kpt #: 404 total cpu time spent up to now is 418.1 secs Computing kpt #: 405 total cpu time spent up to now is 419.2 secs Computing kpt #: 406 total cpu time spent up to now is 420.2 secs Computing kpt #: 407 total cpu time spent up to now is 421.1 secs Computing kpt #: 408 total cpu time spent up to now is 422.1 secs Computing kpt #: 409 total cpu time spent up to now is 423.1 secs Computing kpt #: 410 total cpu time spent up to now is 424.1 secs Computing kpt #: 411 total cpu time spent up to now is 425.3 secs Computing kpt #: 412 total cpu time spent up to now is 426.3 secs Computing kpt #: 413 total cpu time spent up to now is 427.5 secs Computing kpt #: 414 total cpu time spent up to now is 428.7 secs Computing kpt #: 415 total cpu time spent up to now is 429.9 secs Computing kpt #: 416 total cpu time spent up to now is 431.1 secs Computing kpt #: 417 total cpu time spent up to now is 432.1 secs Computing kpt #: 418 total cpu time spent up to now is 433.1 secs Computing kpt #: 419 total cpu time spent up to now is 434.1 secs Computing kpt #: 420 total cpu time spent up to now is 435.2 secs Computing kpt #: 421 total cpu time spent up to now is 436.2 secs Computing kpt #: 422 total cpu time spent up to now is 437.3 secs Computing kpt #: 423 total cpu time spent up to now is 438.3 secs Computing kpt #: 424 total cpu time spent up to now is 439.4 secs Computing kpt #: 425 total cpu time spent up to now is 440.5 secs Computing kpt #: 426 total cpu time spent up to now is 441.6 secs Computing kpt #: 427 total cpu time spent up to now is 442.6 secs Computing kpt #: 428 total cpu time spent up to now is 443.7 secs Computing kpt #: 429 total cpu time spent up to now is 444.7 secs Computing kpt #: 430 total cpu time spent up to now is 445.7 secs Computing kpt #: 431 total cpu time spent up to now is 446.6 secs Computing kpt #: 432 total cpu time spent up to now is 447.5 secs Computing kpt #: 433 total cpu time spent up to now is 448.4 secs Computing kpt #: 434 total cpu time spent up to now is 449.2 secs Computing kpt #: 435 total cpu time spent up to now is 450.1 secs Computing kpt #: 436 total cpu time spent up to now is 450.9 secs Computing kpt #: 437 total cpu time spent up to now is 451.7 secs Computing kpt #: 438 total cpu time spent up to now is 452.6 secs Computing kpt #: 439 total cpu time spent up to now is 453.3 secs Computing kpt #: 440 total cpu time spent up to now is 454.1 secs Computing kpt #: 441 total cpu time spent up to now is 454.8 secs Computing kpt #: 442 total cpu time spent up to now is 455.5 secs Computing kpt #: 443 total cpu time spent up to now is 456.2 secs Computing kpt #: 444 total cpu time spent up to now is 457.0 secs Computing kpt #: 445 total cpu time spent up to now is 457.7 secs Computing kpt #: 446 total cpu time spent up to now is 458.4 secs Computing kpt #: 447 total cpu time spent up to now is 459.1 secs Computing kpt #: 448 total cpu time spent up to now is 459.8 secs Computing kpt #: 449 total cpu time spent up to now is 460.5 secs Computing kpt #: 450 total cpu time spent up to now is 461.2 secs Computing kpt #: 451 total cpu time spent up to now is 461.9 secs Computing kpt #: 452 total cpu time spent up to now is 462.6 secs Computing kpt #: 453 total cpu time spent up to now is 463.3 secs Computing kpt #: 454 total cpu time spent up to now is 464.0 secs Computing kpt #: 455 total cpu time spent up to now is 464.7 secs Computing kpt #: 456 total cpu time spent up to now is 465.4 secs ethr = 2.27E-11, avg # of iterations = 33.7 total cpu time spent up to now is 465.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4393 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0471 -34.0471 -0.5278 -0.5278 -0.4697 -0.4697 -0.4566 -0.4566 -0.4108 -0.4108 0.2808 0.2808 0.2879 0.2879 0.3130 0.3130 0.3529 0.3529 0.5702 0.5702 0.5878 0.5878 0.7447 0.7447 6.2984 6.2984 6.5549 6.5549 6.9180 6.9180 8.5038 8.5038 12.1260 12.1260 12.4385 12.4385 13.6142 13.6142 k = 0.0102-0.0000-0.0000 ( 4403 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0472 -34.0472 -0.5274 -0.5274 -0.4696 -0.4696 -0.4565 -0.4565 -0.4105 -0.4105 0.2805 0.2805 0.2880 0.2880 0.3128 0.3128 0.3528 0.3528 0.5700 0.5700 0.5875 0.5875 0.7462 0.7462 6.2998 6.2998 6.5568 6.5568 6.9200 6.9200 8.5050 8.5050 12.1276 12.1276 12.4401 12.4401 13.6153 13.6153 k = 0.0204-0.0000-0.0000 ( 4407 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0472 -34.0472 -0.5262 -0.5262 -0.4694 -0.4694 -0.4564 -0.4564 -0.4095 -0.4095 0.2797 0.2797 0.2883 0.2883 0.3123 0.3123 0.3525 0.3525 0.5696 0.5696 0.5868 0.5868 0.7508 0.7508 6.3040 6.3040 6.5623 6.5623 6.9258 6.9258 8.5088 8.5088 12.1327 12.1327 12.4451 12.4451 13.6184 13.6184 k = 0.0306-0.0000-0.0000 ( 4405 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3434 -34.3434 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0486 -34.0486 -34.0473 -34.0473 -0.5242 -0.5242 -0.4690 -0.4690 -0.4561 -0.4561 -0.4079 -0.4079 0.2785 0.2785 0.2886 0.2886 0.3115 0.3115 0.3520 0.3520 0.5689 0.5689 0.5856 0.5856 0.7586 0.7586 6.3110 6.3110 6.5716 6.5716 6.9354 6.9354 8.5152 8.5152 12.1412 12.1412 12.4533 12.4533 13.6237 13.6237 k = 0.0408-0.0000-0.0000 ( 4417 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3434 -34.3434 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0487 -34.0487 -34.0473 -34.0473 -0.5215 -0.5215 -0.4685 -0.4685 -0.4557 -0.4557 -0.4058 -0.4058 0.2771 0.2771 0.2886 0.2886 0.3105 0.3105 0.3512 0.3512 0.5679 0.5679 0.5840 0.5840 0.7695 0.7695 6.3207 6.3207 6.5845 6.5845 6.9489 6.9489 8.5240 8.5240 12.1531 12.1531 12.4648 12.4648 13.6309 13.6309 k = 0.0510-0.0000-0.0000 ( 4419 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3434 -34.3434 -34.3381 -34.3381 -34.0614 -34.0614 -34.0524 -34.0524 -34.0488 -34.0488 -34.0474 -34.0474 -0.5181 -0.5181 -0.4679 -0.4679 -0.4553 -0.4553 -0.4031 -0.4031 0.2757 0.2757 0.2882 0.2882 0.3094 0.3094 0.3502 0.3502 0.5667 0.5667 0.5818 0.5818 0.7836 0.7836 6.3333 6.3333 6.6011 6.6011 6.9662 6.9662 8.5355 8.5355 12.1683 12.1683 12.4796 12.4796 13.6395 13.6395 k = 0.0612-0.0000-0.0000 ( 4423 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3435 -34.3435 -34.3381 -34.3381 -34.0614 -34.0614 -34.0524 -34.0524 -34.0489 -34.0489 -34.0475 -34.0475 -0.5139 -0.5139 -0.4671 -0.4671 -0.4547 -0.4547 -0.3999 -0.3999 0.2742 0.2742 0.2872 0.2872 0.3084 0.3084 0.3491 0.3491 0.5653 0.5653 0.5793 0.5793 0.8010 0.8010 6.3487 6.3487 6.6213 6.6213 6.9872 6.9872 8.5494 8.5494 12.1868 12.1868 12.4976 12.4976 13.6280 13.6280 k = 0.0714-0.0000-0.0000 ( 4421 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3435 -34.3435 -34.3382 -34.3382 -34.0614 -34.0614 -34.0524 -34.0524 -34.0490 -34.0490 -34.0476 -34.0476 -0.5092 -0.5092 -0.4662 -0.4662 -0.4539 -0.4539 -0.3964 -0.3964 0.2728 0.2728 0.2855 0.2855 0.3075 0.3075 0.3478 0.3478 0.5636 0.5636 0.5763 0.5763 0.8216 0.8216 6.3669 6.3669 6.6452 6.6452 7.0121 7.0121 8.5659 8.5659 12.2085 12.2085 12.5188 12.5188 13.5111 13.5111 k = 0.0816-0.0000-0.0000 ( 4425 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3436 -34.3436 -34.3382 -34.3382 -34.0614 -34.0614 -34.0524 -34.0524 -34.0492 -34.0492 -34.0478 -34.0478 -0.5040 -0.5040 -0.4652 -0.4652 -0.4531 -0.4531 -0.3925 -0.3925 0.2715 0.2715 0.2829 0.2829 0.3069 0.3069 0.3463 0.3463 0.5616 0.5616 0.5730 0.5730 0.8455 0.8455 6.3879 6.3879 6.6727 6.6727 7.0406 7.0406 8.5849 8.5849 12.2333 12.2333 12.5431 12.5431 13.3482 13.3482 k = 0.0918-0.0000-0.0000 ( 4421 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3436 -34.3436 -34.3383 -34.3383 -34.0614 -34.0614 -34.0524 -34.0524 -34.0493 -34.0493 -34.0479 -34.0479 -0.4983 -0.4983 -0.4641 -0.4641 -0.4521 -0.4521 -0.3885 -0.3885 0.2704 0.2704 0.2795 0.2795 0.3067 0.3067 0.3448 0.3448 0.5594 0.5594 0.5696 0.5696 0.8728 0.8728 6.4118 6.4118 6.7037 6.7037 7.0729 7.0729 8.6065 8.6065 12.2607 12.2607 12.5702 12.5702 13.1571 13.1571 k = 0.1020-0.0000-0.0000 ( 4425 PWs) bands (ev): -67.4040 -67.4040 -67.4028 -67.4028 -34.3437 -34.3437 -34.3384 -34.3384 -34.0614 -34.0614 -34.0523 -34.0523 -34.0495 -34.0495 -34.0481 -34.0481 -0.4922 -0.4922 -0.4629 -0.4629 -0.4509 -0.4509 -0.3843 -0.3843 0.2694 0.2694 0.2754 0.2754 0.3068 0.3068 0.3432 0.3432 0.5567 0.5567 0.5662 0.5662 0.9034 0.9034 6.4385 6.4385 6.7382 6.7382 7.1088 7.1088 8.6306 8.6306 12.2901 12.2901 12.5995 12.5995 12.9511 12.9511 k = 0.1122-0.0000-0.0000 ( 4415 PWs) bands (ev): -67.4040 -67.4040 -67.4028 -67.4028 -34.3438 -34.3438 -34.3384 -34.3384 -34.0613 -34.0613 -34.0523 -34.0523 -34.0497 -34.0497 -34.0483 -34.0483 -0.4859 -0.4859 -0.4616 -0.4616 -0.4495 -0.4495 -0.3802 -0.3802 0.2682 0.2682 0.2708 0.2708 0.3072 0.3072 0.3417 0.3417 0.5534 0.5534 0.5630 0.5630 0.9375 0.9375 6.4681 6.4681 6.7762 6.7762 7.1482 7.1482 8.6572 8.6572 12.3184 12.3184 12.6237 12.6237 12.7472 12.7472 k = 0.1224-0.0000-0.0000 ( 4423 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3439 -34.3439 -34.3385 -34.3385 -34.0613 -34.0613 -34.0523 -34.0523 -34.0499 -34.0499 -34.0485 -34.0485 -0.4796 -0.4796 -0.4603 -0.4603 -0.4477 -0.4477 -0.3762 -0.3762 0.2644 0.2644 0.2685 0.2685 0.3079 0.3079 0.3402 0.3402 0.5493 0.5493 0.5604 0.5604 0.9751 0.9751 6.5006 6.5006 6.8176 6.8176 7.1912 7.1912 8.6864 8.6864 12.3279 12.3279 12.5246 12.5246 12.6857 12.6857 k = 0.1327-0.0000-0.0000 ( 4423 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3439 -34.3439 -34.3386 -34.3386 -34.0613 -34.0613 -34.0523 -34.0523 -34.0501 -34.0501 -34.0487 -34.0487 -0.4734 -0.4734 -0.4589 -0.4589 -0.4456 -0.4456 -0.3725 -0.3725 0.2584 0.2584 0.2678 0.2678 0.3092 0.3092 0.3389 0.3389 0.5446 0.5446 0.5581 0.5581 1.0161 1.0161 6.5360 6.5360 6.8625 6.8625 7.2377 7.2377 8.7181 8.7181 12.2142 12.2142 12.4552 12.4552 12.7204 12.7204 k = 0.1429-0.0000-0.0000 ( 4431 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3440 -34.3440 -34.3387 -34.3387 -34.0613 -34.0613 -34.0522 -34.0522 -34.0503 -34.0503 -34.0489 -34.0489 -0.4677 -0.4677 -0.4574 -0.4574 -0.4427 -0.4427 -0.3692 -0.3692 0.2517 0.2517 0.2672 0.2672 0.3112 0.3112 0.3378 0.3378 0.5394 0.5394 0.5563 0.5563 1.0606 1.0606 6.5743 6.5743 6.9106 6.9106 7.2877 7.2877 8.7523 8.7523 12.0022 12.0022 12.4810 12.4810 12.7625 12.7625 k = 0.1531-0.0000-0.0000 ( 4423 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3441 -34.3441 -34.3388 -34.3388 -34.0612 -34.0612 -34.0522 -34.0522 -34.0506 -34.0506 -34.0492 -34.0492 -0.4627 -0.4627 -0.4559 -0.4559 -0.4390 -0.4390 -0.3663 -0.3663 0.2445 0.2445 0.2665 0.2665 0.3140 0.3140 0.3370 0.3370 0.5338 0.5338 0.5547 0.5547 1.1087 1.1087 6.6156 6.6156 6.9621 6.9621 7.3410 7.3410 8.7891 8.7891 11.7744 11.7744 12.5240 12.5240 12.8085 12.8085 k = 0.1633-0.0000-0.0000 ( 4419 PWs) bands (ev): -67.4039 -67.4039 -67.4027 -67.4027 -34.3442 -34.3442 -34.3389 -34.3389 -34.0612 -34.0612 -34.0522 -34.0522 -34.0508 -34.0508 -34.0494 -34.0494 -0.4587 -0.4587 -0.4544 -0.4544 -0.4343 -0.4343 -0.3641 -0.3641 0.2369 0.2369 0.2656 0.2656 0.3176 0.3176 0.3365 0.3365 0.5281 0.5281 0.5533 0.5533 1.1604 1.1604 6.6599 6.6599 7.0168 7.0168 7.3976 7.3976 8.8285 8.8285 11.5430 11.5430 12.5734 12.5734 12.8577 12.8577 k = 0.1735-0.0000-0.0000 ( 4423 PWs) bands (ev): -67.4038 -67.4038 -67.4027 -67.4027 -34.3443 -34.3443 -34.3390 -34.3390 -34.0612 -34.0612 -34.0521 -34.0521 -34.0511 -34.0511 -34.0497 -34.0497 -0.4557 -0.4557 -0.4528 -0.4528 -0.4288 -0.4288 -0.3626 -0.3626 0.2288 0.2288 0.2644 0.2644 0.3220 0.3220 0.3368 0.3368 0.5221 0.5221 0.5521 0.5521 1.2156 1.2156 6.7072 6.7072 7.0747 7.0747 7.4574 7.4574 8.8703 8.8703 11.3106 11.3106 12.6270 12.6270 12.9099 12.9099 k = 0.1837-0.0000-0.0000 ( 4415 PWs) bands (ev): -67.4038 -67.4038 -67.4027 -67.4027 -34.3444 -34.3444 -34.3391 -34.3391 -34.0612 -34.0612 -34.0521 -34.0521 -34.0513 -34.0513 -34.0499 -34.0499 -0.4535 -0.4535 -0.4511 -0.4511 -0.4227 -0.4227 -0.3617 -0.3617 0.2204 0.2204 0.2629 0.2629 0.3262 0.3262 0.3388 0.3388 0.5162 0.5162 0.5512 0.5512 1.2743 1.2743 6.7576 6.7576 7.1357 7.1357 7.5204 7.5204 8.9147 8.9147 11.0783 11.0783 12.6844 12.6844 12.9650 12.9650 k = 0.1939-0.0000-0.0000 ( 4419 PWs) bands (ev): -67.4038 -67.4038 -67.4027 -67.4027 -34.3445 -34.3445 -34.3392 -34.3392 -34.0611 -34.0611 -34.0521 -34.0521 -34.0516 -34.0516 -34.0502 -34.0502 -0.4517 -0.4517 -0.4495 -0.4495 -0.4163 -0.4163 -0.3617 -0.3617 0.2117 0.2117 0.2611 0.2611 0.3286 0.3286 0.3440 0.3440 0.5102 0.5102 0.5504 0.5504 1.3367 1.3367 6.8110 6.8110 7.1998 7.1998 7.5865 7.5865 8.9615 8.9615 10.8466 10.8466 12.7450 12.7450 13.0228 13.0228 k = 0.2041-0.0000-0.0000 ( 4415 PWs) bands (ev): -67.4038 -67.4038 -67.4026 -67.4026 -34.3446 -34.3446 -34.3393 -34.3393 -34.0611 -34.0611 -34.0521 -34.0521 -34.0518 -34.0518 -34.0505 -34.0505 -0.4502 -0.4502 -0.4480 -0.4480 -0.4099 -0.4099 -0.3625 -0.3625 0.2028 0.2028 0.2592 0.2592 0.3294 0.3294 0.3524 0.3524 0.5043 0.5043 0.5498 0.5498 1.4027 1.4027 6.8675 6.8675 7.2669 7.2669 7.6556 7.6556 9.0110 9.0110 10.6160 10.6160 12.8089 12.8089 13.0833 13.0833 k = 0.2143-0.0000-0.0000 ( 4421 PWs) bands (ev): -67.4037 -67.4037 -67.4026 -67.4026 -34.3447 -34.3447 -34.3395 -34.3395 -34.0611 -34.0611 -34.0522 -34.0522 -34.0521 -34.0521 -34.0507 -34.0507 -0.4490 -0.4490 -0.4465 -0.4465 -0.4037 -0.4037 -0.3641 -0.3641 0.1937 0.1937 0.2571 0.2571 0.3294 0.3294 0.3628 0.3628 0.4986 0.4986 0.5493 0.5493 1.4722 1.4722 6.9272 6.9272 7.3369 7.3369 7.7277 7.7277 9.0629 9.0629 10.3867 10.3867 12.8758 12.8758 13.1462 13.1462 k = 0.2245-0.0000-0.0000 ( 4409 PWs) bands (ev): -67.4037 -67.4037 -67.4026 -67.4026 -34.3448 -34.3448 -34.3396 -34.3396 -34.0611 -34.0611 -34.0524 -34.0524 -34.0520 -34.0520 -34.0510 -34.0510 -0.4478 -0.4478 -0.4451 -0.4451 -0.3976 -0.3976 -0.3665 -0.3665 0.1844 0.1844 0.2550 0.2550 0.3292 0.3292 0.3748 0.3748 0.4930 0.4930 0.5491 0.5491 1.5454 1.5454 6.9900 6.9900 7.4097 7.4097 7.8027 7.8027 9.1172 9.1172 10.1591 10.1591 12.9456 12.9456 13.2115 13.2115 k = 0.2347-0.0000-0.0000 ( 4415 PWs) bands (ev): -67.4037 -67.4037 -67.4026 -67.4026 -34.3450 -34.3450 -34.3397 -34.3397 -34.0610 -34.0610 -34.0527 -34.0527 -34.0521 -34.0521 -34.0512 -34.0512 -0.4469 -0.4469 -0.4438 -0.4438 -0.3920 -0.3920 -0.3696 -0.3696 0.1752 0.1752 0.2528 0.2528 0.3288 0.3288 0.3881 0.3881 0.4877 0.4877 0.5489 0.5489 1.6221 1.6221 7.0561 7.0561 7.4853 7.4853 7.8805 7.8805 9.1740 9.1740 9.9333 9.9333 13.0183 13.0183 13.2787 13.2787 k = 0.2449-0.0000-0.0000 ( 4403 PWs) bands (ev): -67.4037 -67.4037 -67.4025 -67.4025 -34.3451 -34.3451 -34.3398 -34.3398 -34.0610 -34.0610 -34.0530 -34.0530 -34.0522 -34.0522 -34.0514 -34.0514 -0.4460 -0.4460 -0.4426 -0.4426 -0.3868 -0.3868 -0.3733 -0.3733 0.1659 0.1659 0.2507 0.2507 0.3283 0.3283 0.4025 0.4025 0.4826 0.4826 0.5489 0.5489 1.7024 1.7024 7.1254 7.1254 7.5635 7.5635 7.9611 7.9611 9.2332 9.2332 9.7097 9.7097 13.0937 13.0937 13.3477 13.3477 k = 0.2551-0.0000-0.0000 ( 4399 PWs) bands (ev): -67.4036 -67.4036 -67.4025 -67.4025 -34.3452 -34.3452 -34.3399 -34.3399 -34.0610 -34.0610 -34.0532 -34.0532 -34.0523 -34.0523 -34.0515 -34.0515 -0.4453 -0.4453 -0.4414 -0.4414 -0.3826 -0.3826 -0.3770 -0.3770 0.1568 0.1568 0.2487 0.2487 0.3278 0.3278 0.4178 0.4178 0.4779 0.4779 0.5491 0.5491 1.7862 1.7862 7.1980 7.1980 7.6442 7.6442 8.0442 8.0442 9.2939 9.2939 9.4891 9.4891 13.1717 13.1717 13.4177 13.4177 k = 0.2653-0.0000-0.0000 ( 4391 PWs) bands (ev): -67.4036 -67.4036 -67.4025 -67.4025 -34.3453 -34.3453 -34.3401 -34.3401 -34.0609 -34.0609 -34.0535 -34.0535 -34.0525 -34.0525 -34.0515 -34.0515 -0.4448 -0.4448 -0.4403 -0.4403 -0.3840 -0.3840 -0.3761 -0.3761 0.1477 0.1477 0.2467 0.2467 0.3272 0.3272 0.4339 0.4339 0.4736 0.4736 0.5494 0.5494 1.8736 1.8736 7.2740 7.2740 7.7271 7.7271 8.1300 8.1300 9.2643 9.2643 9.3638 9.3638 13.2519 13.2519 13.4881 13.4881 k = 0.2755-0.0000-0.0000 ( 4391 PWs) bands (ev): -67.4036 -67.4036 -67.4024 -67.4024 -34.3454 -34.3454 -34.3402 -34.3402 -34.0609 -34.0609 -34.0538 -34.0538 -34.0528 -34.0528 -34.0515 -34.0515 -0.4444 -0.4444 -0.4393 -0.4393 -0.3891 -0.3891 -0.3725 -0.3725 0.1388 0.1388 0.2448 0.2448 0.3265 0.3265 0.4506 0.4506 0.4696 0.4696 0.5498 0.5498 1.9645 1.9645 7.3532 7.3532 7.8117 7.8117 8.2181 8.2181 9.0509 9.0509 9.4277 9.4277 13.3340 13.3340 13.5571 13.5571 k = 0.2857-0.0000-0.0000 ( 4393 PWs) bands (ev): -67.4036 -67.4036 -67.4024 -67.4024 -34.3455 -34.3455 -34.3403 -34.3403 -34.0609 -34.0609 -34.0541 -34.0541 -34.0531 -34.0531 -34.0515 -34.0515 -0.4443 -0.4443 -0.4384 -0.4384 -0.3948 -0.3948 -0.3691 -0.3691 0.1302 0.1302 0.2430 0.2430 0.3259 0.3259 0.4660 0.4660 0.4677 0.4677 0.5504 0.5504 2.0589 2.0589 7.4358 7.4358 7.8972 7.8972 8.3084 8.3084 8.8392 8.8392 9.4963 9.4963 13.4168 13.4168 13.6216 13.6216 k = 0.2959-0.0000-0.0000 ( 4389 PWs) bands (ev): -67.4035 -67.4035 -67.4024 -67.4024 -34.3456 -34.3456 -34.3404 -34.3404 -34.0609 -34.0609 -34.0543 -34.0543 -34.0533 -34.0533 -34.0514 -34.0514 -0.4443 -0.4443 -0.4375 -0.4375 -0.4009 -0.4009 -0.3661 -0.3661 0.1218 0.1218 0.2412 0.2412 0.3253 0.3253 0.4629 0.4629 0.4850 0.4850 0.5511 0.5511 2.1568 2.1568 7.5218 7.5218 7.9809 7.9809 8.4000 8.4000 8.6348 8.6348 9.5675 9.5675 13.4968 13.4968 13.6731 13.6731 k = 0.3061-0.0000-0.0000 ( 4387 PWs) bands (ev): -67.4035 -67.4035 -67.4024 -67.4024 -34.3457 -34.3457 -34.3406 -34.3406 -34.0609 -34.0609 -34.0546 -34.0546 -34.0536 -34.0536 -34.0514 -34.0514 -0.4445 -0.4445 -0.4367 -0.4367 -0.4071 -0.4071 -0.3635 -0.3635 0.1137 0.1137 0.2395 0.2395 0.3248 0.3248 0.4602 0.4602 0.5022 0.5022 0.5522 0.5522 2.2581 2.2581 7.6111 7.6111 8.0530 8.0530 8.4331 8.4331 8.5073 8.5073 9.6410 9.6410 13.5540 13.5540 13.6930 13.6930 k = 0.3163-0.0000-0.0000 ( 4389 PWs) bands (ev): -67.4035 -67.4035 -67.4023 -67.4023 -34.3458 -34.3458 -34.3407 -34.3407 -34.0609 -34.0609 -34.0548 -34.0548 -34.0539 -34.0539 -34.0514 -34.0514 -0.4451 -0.4451 -0.4361 -0.4361 -0.4133 -0.4133 -0.3613 -0.3613 0.1060 0.1060 0.2378 0.2378 0.3243 0.3243 0.4578 0.4578 0.5189 0.5189 0.5539 0.5539 2.3628 2.3628 7.7035 7.7035 8.0608 8.0608 8.3203 8.3203 8.5972 8.5972 9.7168 9.7168 13.4957 13.4957 13.7153 13.7153 k = 0.3265-0.0000-0.0000 ( 4383 PWs) bands (ev): -67.4035 -67.4035 -67.4023 -67.4023 -34.3459 -34.3459 -34.3408 -34.3408 -34.0609 -34.0609 -34.0550 -34.0550 -34.0541 -34.0541 -34.0514 -34.0514 -0.4459 -0.4459 -0.4356 -0.4356 -0.4193 -0.4193 -0.3596 -0.3596 0.0986 0.0986 0.2360 0.2360 0.3240 0.3240 0.4558 0.4558 0.5337 0.5337 0.5574 0.5574 2.4709 2.4709 7.7963 7.7963 7.9319 7.9319 8.3449 8.3449 8.6956 8.6956 9.7946 9.7946 13.3328 13.3328 13.6362 13.6362 k = 0.3367-0.0000-0.0000 ( 4383 PWs) bands (ev): -67.4034 -67.4034 -67.4023 -67.4023 -34.3460 -34.3460 -34.3409 -34.3409 -34.0609 -34.0609 -34.0552 -34.0552 -34.0544 -34.0544 -34.0513 -34.0513 -0.4472 -0.4472 -0.4355 -0.4355 -0.4246 -0.4246 -0.3583 -0.3583 0.0917 0.0917 0.2343 0.2343 0.3239 0.3239 0.4542 0.4542 0.5435 0.5435 0.5657 0.5657 2.5824 2.5824 7.7361 7.7361 7.9063 7.9063 8.4268 8.4268 8.7964 8.7964 9.8744 9.8744 13.1424 13.1424 13.4588 13.4588 k = 0.3469-0.0000-0.0000 ( 4381 PWs) bands (ev): -67.4034 -67.4034 -67.4023 -67.4023 -34.3461 -34.3461 -34.3410 -34.3410 -34.0609 -34.0609 -34.0555 -34.0555 -34.0546 -34.0546 -34.0513 -34.0513 -0.4491 -0.4491 -0.4363 -0.4363 -0.4286 -0.4286 -0.3572 -0.3572 0.0851 0.0851 0.2324 0.2324 0.3240 0.3240 0.4529 0.4529 0.5478 0.5478 0.5791 0.5791 2.6972 2.6972 7.5435 7.5435 8.0070 8.0070 8.5225 8.5225 8.8990 8.8990 9.9559 9.9559 12.9452 12.9452 13.2775 13.2775 k = 0.3571-0.0000-0.0000 ( 4379 PWs) bands (ev): -67.4034 -67.4034 -67.4023 -67.4023 -34.3462 -34.3462 -34.3411 -34.3411 -34.0609 -34.0609 -34.0556 -34.0556 -34.0548 -34.0548 -34.0513 -34.0513 -0.4520 -0.4520 -0.4383 -0.4383 -0.4303 -0.4303 -0.3566 -0.3566 0.0790 0.0790 0.2306 0.2306 0.3242 0.3242 0.4519 0.4519 0.5499 0.5499 0.5943 0.5943 2.8153 2.8153 7.3473 7.3473 8.1135 8.1135 8.6237 8.6237 9.0030 9.0030 10.0389 10.0389 12.7469 12.7469 13.0981 13.0981 k = 0.3673-0.0000-0.0000 ( 4379 PWs) bands (ev): -67.4034 -67.4034 -67.4022 -67.4022 -34.3463 -34.3463 -34.3412 -34.3412 -34.0609 -34.0609 -34.0558 -34.0558 -34.0551 -34.0551 -34.0513 -34.0513 -0.4558 -0.4558 -0.4406 -0.4406 -0.4307 -0.4307 -0.3561 -0.3561 0.0733 0.0733 0.2287 0.2287 0.3246 0.3246 0.4511 0.4511 0.5511 0.5511 0.6096 0.6096 2.9366 2.9366 7.1515 7.1515 8.2237 8.2237 8.7282 8.7282 9.1082 9.1082 10.1231 10.1231 12.5501 12.5501 12.9217 12.9217 k = 0.3776-0.0000-0.0000 ( 4383 PWs) bands (ev): -67.4034 -67.4034 -67.4022 -67.4022 -34.3464 -34.3464 -34.3413 -34.3413 -34.0609 -34.0609 -34.0560 -34.0560 -34.0553 -34.0553 -34.0512 -34.0512 -0.4604 -0.4604 -0.4426 -0.4426 -0.4307 -0.4307 -0.3559 -0.3559 0.0681 0.0681 0.2268 0.2268 0.3251 0.3251 0.4506 0.4506 0.5521 0.5521 0.6245 0.6245 3.0612 3.0612 6.9573 6.9573 8.3375 8.3375 8.8349 8.8349 9.2143 9.2143 10.2080 10.2080 12.3561 12.3561 12.7489 12.7489 k = 0.3878-0.0000-0.0000 ( 4377 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3464 -34.3464 -34.3414 -34.3414 -34.0609 -34.0609 -34.0562 -34.0562 -34.0555 -34.0555 -34.0512 -34.0512 -0.4653 -0.4653 -0.4442 -0.4442 -0.4305 -0.4305 -0.3559 -0.3559 0.0633 0.0633 0.2249 0.2249 0.3258 0.3258 0.4502 0.4502 0.5529 0.5529 0.6387 0.6387 3.1889 3.1889 6.7651 6.7651 8.4548 8.4548 8.9431 8.9431 9.3208 9.3208 10.2927 10.2927 12.1664 12.1664 12.5802 12.5802 k = 0.3980-0.0000-0.0000 ( 4381 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3465 -34.3465 -34.3415 -34.3415 -34.0609 -34.0609 -34.0563 -34.0563 -34.0557 -34.0557 -34.0512 -34.0512 -0.4701 -0.4701 -0.4455 -0.4455 -0.4302 -0.4302 -0.3561 -0.3561 0.0590 0.0590 0.2231 0.2231 0.3266 0.3266 0.4500 0.4500 0.5536 0.5536 0.6521 0.6521 3.3198 3.3198 6.5750 6.5750 8.5753 8.5753 9.0523 9.0523 9.4274 9.4274 10.3761 10.3761 11.9823 11.9823 12.4160 12.4160 k = 0.4082-0.0000-0.0000 ( 4373 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3466 -34.3466 -34.3415 -34.3415 -34.0609 -34.0609 -34.0564 -34.0564 -34.0558 -34.0558 -34.0511 -34.0511 -0.4748 -0.4748 -0.4467 -0.4467 -0.4300 -0.4300 -0.3564 -0.3564 0.0551 0.0551 0.2213 0.2213 0.3274 0.3274 0.4500 0.4500 0.5542 0.5542 0.6645 0.6645 3.4538 3.4538 6.3874 6.3874 8.6990 8.6990 9.1619 9.1619 9.5333 9.5333 10.4561 10.4561 11.8060 11.8060 12.2568 12.2568 k = 0.4184-0.0000-0.0000 ( 4381 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3467 -34.3467 -34.3416 -34.3416 -34.0610 -34.0610 -34.0566 -34.0566 -34.0560 -34.0560 -34.0511 -34.0511 -0.4792 -0.4792 -0.4478 -0.4478 -0.4298 -0.4298 -0.3567 -0.3567 0.0516 0.0516 0.2196 0.2196 0.3283 0.3283 0.4500 0.4500 0.5548 0.5548 0.6758 0.6758 3.5907 3.5907 6.2024 6.2024 8.8255 8.8255 9.2710 9.2710 9.6377 9.6377 10.5290 10.5290 11.6409 11.6409 12.1035 12.1035 k = 0.4286-0.0000-0.0000 ( 4379 PWs) bands (ev): -67.4033 -67.4033 -67.4021 -67.4021 -34.3467 -34.3467 -34.3417 -34.3417 -34.0610 -34.0610 -34.0566 -34.0566 -34.0561 -34.0561 -34.0511 -34.0511 -0.4832 -0.4832 -0.4487 -0.4487 -0.4296 -0.4296 -0.3571 -0.3571 0.0486 0.0486 0.2180 0.2180 0.3291 0.3291 0.4501 0.4501 0.5553 0.5553 0.6860 0.6860 3.7306 3.7306 6.0200 6.0200 8.9546 8.9546 9.3788 9.3788 9.7396 9.7396 10.5884 10.5884 11.4934 11.4934 11.9570 11.9570 k = 0.4388-0.0000-0.0000 ( 4377 PWs) bands (ev): -67.4033 -67.4033 -67.4021 -67.4021 -34.3468 -34.3468 -34.3417 -34.3417 -34.0610 -34.0610 -34.0567 -34.0567 -34.0562 -34.0562 -34.0511 -34.0511 -0.4867 -0.4867 -0.4496 -0.4496 -0.4294 -0.4294 -0.3575 -0.3575 0.0460 0.0460 0.2166 0.2166 0.3299 0.3299 0.4502 0.4502 0.5557 0.5557 0.6949 0.6949 3.8733 3.8733 5.8404 5.8404 9.0857 9.0857 9.4839 9.4839 9.8375 9.8375 10.6224 10.6224 11.3748 11.3748 11.8188 11.8188 k = 0.4490-0.0000-0.0000 ( 4381 PWs) bands (ev): -67.4033 -67.4033 -67.4021 -67.4021 -34.3468 -34.3468 -34.3418 -34.3418 -34.0610 -34.0610 -34.0568 -34.0568 -34.0563 -34.0563 -34.0511 -34.0511 -0.4898 -0.4898 -0.4503 -0.4503 -0.4293 -0.4293 -0.3579 -0.3579 0.0438 0.0438 0.2153 0.2153 0.3307 0.3307 0.4504 0.4504 0.5560 0.5560 0.7026 0.7026 4.0186 4.0186 5.6639 5.6639 9.2176 9.2176 9.5849 9.5849 9.9294 9.9294 10.6147 10.6147 11.3005 11.3005 11.6910 11.6910 k = 0.4592-0.0000-0.0000 ( 4380 PWs) bands (ev): -67.4033 -67.4033 -67.4021 -67.4021 -34.3468 -34.3468 -34.3418 -34.3418 -34.0611 -34.0611 -34.0569 -34.0569 -34.0564 -34.0564 -34.0511 -34.0511 -0.4923 -0.4923 -0.4509 -0.4509 -0.4292 -0.4292 -0.3582 -0.3582 0.0420 0.0420 0.2143 0.2143 0.3313 0.3313 0.4505 0.4505 0.5563 0.5563 0.7090 0.7090 4.1662 4.1662 5.4907 5.4907 9.3485 9.3485 9.6801 9.6801 10.0128 10.0128 10.5568 10.5568 11.2777 11.2777 11.5764 11.5764 k = 0.4694-0.0000-0.0000 ( 4384 PWs) bands (ev): -67.4033 -67.4033 -67.4021 -67.4021 -34.3469 -34.3469 -34.3418 -34.3418 -34.0611 -34.0611 -34.0569 -34.0569 -34.0565 -34.0565 -34.0511 -34.0511 -0.4943 -0.4943 -0.4514 -0.4514 -0.4291 -0.4291 -0.3585 -0.3585 0.0406 0.0406 0.2135 0.2135 0.3318 0.3318 0.4506 0.4506 0.5565 0.5565 0.7139 0.7139 4.3154 4.3154 5.3217 5.3217 9.4743 9.4743 9.7683 9.7683 10.0842 10.0842 10.4599 10.4599 11.2931 11.2931 11.4790 11.4790 k = 0.4796-0.0000-0.0000 ( 4380 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3418 -34.3418 -34.0611 -34.0611 -34.0569 -34.0569 -34.0565 -34.0565 -34.0510 -34.0510 -0.4957 -0.4957 -0.4518 -0.4518 -0.4290 -0.4290 -0.3587 -0.3587 0.0396 0.0396 0.2129 0.2129 0.3322 0.3322 0.4507 0.4507 0.5567 0.5567 0.7175 0.7175 4.4643 4.4643 5.1587 5.1587 9.5862 9.5862 9.8504 9.8504 10.1389 10.1389 10.3449 10.3449 11.3229 11.3229 11.4050 11.4050 k = 0.4898-0.0000-0.0000 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3418 -34.3418 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4966 -0.4966 -0.4520 -0.4520 -0.4290 -0.4290 -0.3588 -0.3588 0.0390 0.0390 0.2125 0.2125 0.3325 0.3325 0.4508 0.4508 0.5568 0.5568 0.7197 0.7197 4.6048 4.6048 5.0096 5.0096 9.6672 9.6672 9.9296 9.9296 10.1669 10.1669 10.2385 10.2385 11.3360 11.3360 11.3715 11.3715 k = 0.5000-0.0000-0.0000 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0510 -34.0510 -0.4969 -0.4969 -0.4521 -0.4521 -0.4290 -0.4290 -0.3589 -0.3589 0.0388 0.0388 0.2124 0.2124 0.3325 0.3325 0.4508 0.4508 0.5568 0.5568 0.7204 0.7204 4.6857 4.6857 4.9259 4.9259 9.6969 9.6969 9.9790 9.9790 10.1461 10.1461 10.2079 10.2079 11.3272 11.3272 11.3746 11.3746 k = 0.5000-0.0000-0.0000 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0510 -34.0510 -0.4969 -0.4969 -0.4521 -0.4521 -0.4290 -0.4290 -0.3589 -0.3589 0.0388 0.0388 0.2124 0.2124 0.3325 0.3325 0.4508 0.4508 0.5568 0.5568 0.7204 0.7204 4.6857 4.6857 4.9259 4.9259 9.6969 9.6969 9.9790 9.9790 10.1461 10.1461 10.2079 10.2079 11.3272 11.3272 11.3746 11.3746 k = 0.5000 0.0101-0.0000 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4969 -0.4969 -0.4523 -0.4523 -0.4287 -0.4287 -0.3590 -0.3590 0.0390 0.0390 0.2125 0.2125 0.3325 0.3325 0.4504 0.4504 0.5570 0.5570 0.7203 0.7203 4.6868 4.6868 4.9278 4.9278 9.6915 9.6915 9.9771 9.9771 10.1173 10.1173 10.2109 10.2109 11.3318 11.3318 11.4034 11.4034 k = 0.5000 0.0201-0.0000 ( 4382 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4968 -0.4968 -0.4530 -0.4530 -0.4277 -0.4277 -0.3591 -0.3591 0.0397 0.0397 0.2128 0.2128 0.3324 0.3324 0.4493 0.4493 0.5575 0.5575 0.7200 0.7200 4.6903 4.6903 4.9336 4.9336 9.6740 9.6740 9.9710 9.9710 10.0440 10.0440 10.2161 10.2161 11.3379 11.3379 11.4898 11.4898 k = 0.5000 0.0302-0.0000 ( 4374 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0571 -34.0571 -34.0564 -34.0564 -34.0510 -34.0510 -0.4967 -0.4967 -0.4539 -0.4539 -0.4262 -0.4262 -0.3594 -0.3594 0.0407 0.0407 0.2134 0.2134 0.3322 0.3322 0.4474 0.4474 0.5582 0.5582 0.7195 0.7195 4.6960 4.6960 4.9432 4.9432 9.6394 9.6394 9.9314 9.9314 9.9774 9.9774 10.2224 10.2224 11.3443 11.3443 11.6173 11.6173 k = 0.5000 0.0403-0.0000 ( 4374 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0572 -34.0572 -34.0563 -34.0563 -34.0511 -34.0511 -0.4966 -0.4966 -0.4550 -0.4550 -0.4243 -0.4243 -0.3598 -0.3598 0.0421 0.0421 0.2142 0.2142 0.3319 0.3319 0.4450 0.4450 0.5592 0.5592 0.7187 0.7187 4.7040 4.7040 4.9566 4.9566 9.5796 9.5796 9.8273 9.8273 9.9702 9.9702 10.2305 10.2305 11.3524 11.3524 11.6033 11.6033 k = 0.5000 0.0504-0.0000 ( 4378 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0572 -34.0572 -34.0562 -34.0562 -34.0511 -34.0511 -0.4964 -0.4964 -0.4561 -0.4561 -0.4222 -0.4222 -0.3604 -0.3604 0.0439 0.0439 0.2153 0.2153 0.3314 0.3314 0.4420 0.4420 0.5603 0.5603 0.7178 0.7178 4.7144 4.7144 4.9739 4.9739 9.4870 9.4870 9.7264 9.7264 9.9717 9.9717 10.2405 10.2405 11.3624 11.3624 11.5468 11.5468 k = 0.5000 0.0604-0.0000 ( 4378 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3419 -34.3419 -34.0610 -34.0610 -34.0573 -34.0573 -34.0562 -34.0562 -34.0511 -34.0511 -0.4962 -0.4962 -0.4573 -0.4573 -0.4200 -0.4200 -0.3610 -0.3610 0.0461 0.0461 0.2165 0.2165 0.3308 0.3308 0.4387 0.4387 0.5615 0.5615 0.7167 0.7167 4.7271 4.7271 4.9949 4.9949 9.3645 9.3645 9.6348 9.6348 9.9791 9.9791 10.2527 10.2527 11.3744 11.3744 11.5008 11.5008 k = 0.5000 0.0705-0.0000 ( 4384 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0574 -34.0574 -34.0561 -34.0561 -34.0512 -34.0512 -0.4960 -0.4960 -0.4583 -0.4583 -0.4176 -0.4176 -0.3617 -0.3617 0.0486 0.0486 0.2180 0.2180 0.3299 0.3299 0.4351 0.4351 0.5628 0.5628 0.7153 0.7153 4.7422 4.7422 5.0196 5.0196 9.2237 9.2237 9.5453 9.5453 9.9921 9.9921 10.2669 10.2669 11.3883 11.3883 11.4659 11.4659 k = 0.5000 0.0806-0.0000 ( 4388 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3467 -34.3467 -34.3421 -34.3421 -34.0610 -34.0610 -34.0575 -34.0575 -34.0560 -34.0560 -34.0512 -34.0512 -0.4957 -0.4957 -0.4592 -0.4592 -0.4153 -0.4153 -0.3626 -0.3626 0.0514 0.0514 0.2197 0.2197 0.3288 0.3288 0.4315 0.4315 0.5640 0.5640 0.7138 0.7138 4.7596 4.7596 5.0481 5.0481 9.0739 9.0739 9.4524 9.4524 10.0102 10.0102 10.2832 10.2832 11.4034 11.4034 11.4427 11.4427 k = 0.5000 0.0907-0.0000 ( 4384 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3467 -34.3467 -34.3421 -34.3421 -34.0610 -34.0610 -34.0576 -34.0576 -34.0559 -34.0559 -34.0513 -34.0513 -0.4953 -0.4953 -0.4600 -0.4600 -0.4130 -0.4130 -0.3635 -0.3635 0.0545 0.0545 0.2216 0.2216 0.3273 0.3273 0.4279 0.4279 0.5652 0.5652 0.7120 0.7120 4.7795 4.7795 5.0802 5.0802 8.9203 8.9203 9.3540 9.3540 10.0329 10.0329 10.3017 10.3017 11.4152 11.4152 11.4352 11.4352 k = 0.5000 0.1007-0.0000 ( 4388 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3466 -34.3466 -34.3422 -34.3422 -34.0610 -34.0610 -34.0576 -34.0576 -34.0558 -34.0558 -34.0513 -34.0513 -0.4949 -0.4949 -0.4606 -0.4606 -0.4108 -0.4108 -0.3645 -0.3645 0.0579 0.0579 0.2238 0.2238 0.3254 0.3254 0.4245 0.4245 0.5664 0.5664 0.7101 0.7101 4.8018 4.8018 5.1160 5.1160 8.7655 8.7655 9.2500 9.2500 10.0598 10.0598 10.3223 10.3223 11.4168 11.4168 11.4493 11.4493 k = 0.5000 0.1108-0.0000 ( 4384 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3466 -34.3466 -34.3422 -34.3422 -34.0609 -34.0609 -34.0577 -34.0577 -34.0557 -34.0557 -34.0514 -34.0514 -0.4944 -0.4944 -0.4610 -0.4610 -0.4088 -0.4088 -0.3655 -0.3655 0.0615 0.0615 0.2261 0.2261 0.3230 0.3230 0.4215 0.4215 0.5675 0.5675 0.7079 0.7079 4.8266 4.8266 5.1554 5.1554 8.6110 8.6110 9.1410 9.1410 10.0904 10.0904 10.3450 10.3450 11.4213 11.4213 11.4711 11.4711 k = 0.5000 0.1209-0.0000 ( 4384 PWs) bands (ev): -67.4031 -67.4031 -67.4022 -67.4022 -34.3465 -34.3465 -34.3423 -34.3423 -34.0609 -34.0609 -34.0578 -34.0578 -34.0556 -34.0556 -34.0514 -34.0514 -0.4938 -0.4938 -0.4612 -0.4612 -0.4070 -0.4070 -0.3666 -0.3666 0.0653 0.0653 0.2285 0.2285 0.3203 0.3203 0.4188 0.4188 0.5685 0.5685 0.7055 0.7055 4.8539 4.8539 5.1982 5.1982 8.4578 8.4578 9.0280 9.0280 10.1246 10.1246 10.3697 10.3697 11.4326 11.4326 11.4960 11.4960 k = 0.5000 0.1310-0.0000 ( 4386 PWs) bands (ev): -67.4031 -67.4031 -67.4022 -67.4022 -34.3464 -34.3464 -34.3424 -34.3424 -34.0608 -34.0608 -34.0579 -34.0579 -34.0555 -34.0555 -34.0515 -34.0515 -0.4932 -0.4932 -0.4612 -0.4612 -0.4053 -0.4053 -0.3677 -0.3677 0.0693 0.0693 0.2311 0.2311 0.3170 0.3170 0.4166 0.4166 0.5694 0.5694 0.7029 0.7029 4.8838 4.8838 5.2446 5.2446 8.3065 8.3065 8.9117 8.9117 10.1620 10.1620 10.3965 10.3965 11.4505 11.4505 11.5233 11.5233 k = 0.5000 0.1410-0.0000 ( 4378 PWs) bands (ev): -67.4031 -67.4031 -67.4022 -67.4022 -34.3463 -34.3463 -34.3425 -34.3425 -34.0608 -34.0608 -34.0580 -34.0580 -34.0554 -34.0554 -34.0515 -34.0515 -0.4924 -0.4924 -0.4611 -0.4611 -0.4040 -0.4040 -0.3688 -0.3688 0.0734 0.0734 0.2337 0.2337 0.3135 0.3135 0.4149 0.4149 0.5703 0.5703 0.7001 0.7001 4.9164 4.9164 5.2944 5.2944 8.1574 8.1574 8.7930 8.7930 10.2025 10.2025 10.4253 10.4253 11.4744 11.4744 11.5529 11.5529 k = 0.5000 0.1511-0.0000 ( 4390 PWs) bands (ev): -67.4031 -67.4031 -67.4023 -67.4023 -34.3463 -34.3463 -34.3426 -34.3426 -34.0607 -34.0607 -34.0581 -34.0581 -34.0553 -34.0553 -34.0516 -34.0516 -0.4916 -0.4916 -0.4608 -0.4608 -0.4029 -0.4029 -0.3699 -0.3699 0.0777 0.0777 0.2362 0.2362 0.3098 0.3098 0.4136 0.4136 0.5712 0.5712 0.6971 0.6971 4.9515 4.9515 5.3475 5.3475 8.0107 8.0107 8.6726 8.6726 10.2457 10.2457 10.4560 10.4560 11.5040 11.5040 11.5846 11.5846 k = 0.5000 0.1612-0.0000 ( 4394 PWs) bands (ev): -67.4031 -67.4031 -67.4023 -67.4023 -34.3462 -34.3462 -34.3427 -34.3427 -34.0607 -34.0607 -34.0582 -34.0582 -34.0552 -34.0552 -34.0517 -34.0517 -0.4907 -0.4907 -0.4604 -0.4604 -0.4020 -0.4020 -0.3710 -0.3710 0.0820 0.0820 0.2383 0.2383 0.3063 0.3063 0.4126 0.4126 0.5721 0.5721 0.6939 0.6939 4.9894 4.9894 5.4039 5.4039 7.8668 7.8668 8.5510 8.5510 10.2917 10.2917 10.4886 10.4886 11.5387 11.5387 11.6185 11.6185 k = 0.5000 0.1713-0.0000 ( 4394 PWs) bands (ev): -67.4031 -67.4031 -67.4023 -67.4023 -34.3461 -34.3461 -34.3427 -34.3427 -34.0606 -34.0606 -34.0583 -34.0583 -34.0550 -34.0550 -34.0518 -34.0518 -0.4897 -0.4897 -0.4598 -0.4598 -0.4015 -0.4015 -0.3720 -0.3720 0.0864 0.0864 0.2400 0.2400 0.3031 0.3031 0.4119 0.4119 0.5731 0.5731 0.6904 0.6904 5.0301 5.0301 5.4636 5.4636 7.7258 7.7258 8.4288 8.4288 10.3400 10.3400 10.5229 10.5229 11.5780 11.5780 11.6546 11.6546 k = 0.5000 0.1813-0.0000 ( 4394 PWs) bands (ev): -67.4030 -67.4030 -67.4023 -67.4023 -34.3460 -34.3460 -34.3428 -34.3428 -34.0606 -34.0606 -34.0583 -34.0583 -34.0549 -34.0549 -34.0519 -34.0519 -0.4886 -0.4886 -0.4592 -0.4592 -0.4012 -0.4012 -0.3730 -0.3730 0.0909 0.0909 0.2406 0.2406 0.3009 0.3009 0.4113 0.4113 0.5741 0.5741 0.6868 0.6868 5.0735 5.0735 5.5264 5.5264 7.5879 7.5879 8.3064 8.3064 10.3905 10.3905 10.5590 10.5590 11.6217 11.6217 11.6929 11.6929 k = 0.5000 0.1914-0.0000 ( 4382 PWs) bands (ev): -67.4030 -67.4030 -67.4023 -67.4023 -34.3459 -34.3459 -34.3429 -34.3429 -34.0605 -34.0605 -34.0584 -34.0584 -34.0548 -34.0548 -34.0519 -34.0519 -0.4874 -0.4874 -0.4585 -0.4585 -0.4011 -0.4011 -0.3739 -0.3739 0.0955 0.0955 0.2400 0.2400 0.3000 0.3000 0.4107 0.4107 0.5754 0.5754 0.6829 0.6829 5.1199 5.1199 5.5924 5.5924 7.4530 7.4530 8.1842 8.1842 10.4429 10.4429 10.5965 10.5965 11.6694 11.6694 11.7332 11.7332 k = 0.5000 0.2015-0.0000 ( 4386 PWs) bands (ev): -67.4030 -67.4030 -67.4024 -67.4024 -34.3458 -34.3458 -34.3430 -34.3430 -34.0605 -34.0605 -34.0585 -34.0585 -34.0547 -34.0547 -34.0520 -34.0520 -0.4862 -0.4862 -0.4579 -0.4579 -0.4012 -0.4012 -0.3749 -0.3749 0.1001 0.1001 0.2380 0.2380 0.3006 0.3006 0.4100 0.4100 0.5769 0.5769 0.6789 0.6789 5.1691 5.1691 5.6614 5.6614 7.3213 7.3213 8.0625 8.0625 10.4968 10.4968 10.6354 10.6354 11.7208 11.7208 11.7756 11.7756 k = 0.5000 0.2116-0.0000 ( 4388 PWs) bands (ev): -67.4030 -67.4030 -67.4024 -67.4024 -34.3457 -34.3457 -34.3431 -34.3431 -34.0604 -34.0604 -34.0586 -34.0586 -34.0546 -34.0546 -34.0521 -34.0521 -0.4848 -0.4848 -0.4573 -0.4573 -0.4013 -0.4013 -0.3759 -0.3759 0.1048 0.1048 0.2345 0.2345 0.3028 0.3028 0.4090 0.4090 0.5786 0.5786 0.6747 0.6747 5.2213 5.2213 5.7335 5.7335 7.1928 7.1928 7.9414 7.9414 10.5519 10.5519 10.6754 10.6754 11.7753 11.7753 11.8201 11.8201 k = 0.5000 0.2216-0.0000 ( 4382 PWs) bands (ev): -67.4029 -67.4029 -67.4024 -67.4024 -34.3456 -34.3456 -34.3432 -34.3432 -34.0603 -34.0603 -34.0587 -34.0587 -34.0544 -34.0544 -34.0522 -34.0522 -0.4833 -0.4833 -0.4568 -0.4568 -0.4014 -0.4014 -0.3769 -0.3769 0.1096 0.1096 0.2298 0.2298 0.3063 0.3063 0.4078 0.4078 0.5807 0.5807 0.6702 0.6702 5.2765 5.2765 5.8084 5.8084 7.0677 7.0677 7.8213 7.8213 10.6077 10.6077 10.7163 10.7163 11.8326 11.8326 11.8669 11.8669 k = 0.5000 0.2317-0.0000 ( 4378 PWs) bands (ev): -67.4029 -67.4029 -67.4024 -67.4024 -34.3455 -34.3455 -34.3433 -34.3433 -34.0603 -34.0603 -34.0588 -34.0588 -34.0543 -34.0543 -34.0523 -34.0523 -0.4817 -0.4817 -0.4565 -0.4565 -0.4015 -0.4015 -0.3780 -0.3780 0.1145 0.1145 0.2243 0.2243 0.3109 0.3109 0.4061 0.4061 0.5831 0.5831 0.6657 0.6657 5.3347 5.3347 5.8862 5.8862 6.9459 6.9459 7.7024 7.7024 10.6636 10.6636 10.7575 10.7575 11.8917 11.8917 11.9162 11.9162 k = 0.5000 0.2418-0.0000 ( 4382 PWs) bands (ev): -67.4029 -67.4029 -67.4025 -67.4025 -34.3453 -34.3453 -34.3435 -34.3435 -34.0602 -34.0602 -34.0589 -34.0589 -34.0542 -34.0542 -34.0524 -34.0524 -0.4800 -0.4800 -0.4564 -0.4564 -0.4014 -0.4014 -0.3792 -0.3792 0.1195 0.1195 0.2181 0.2181 0.3163 0.3163 0.4039 0.4039 0.5859 0.5859 0.6609 0.6609 5.3961 5.3961 5.9669 5.9669 6.8275 6.8275 7.5848 7.5848 10.7189 10.7189 10.7987 10.7987 11.9504 11.9504 11.9696 11.9696 k = 0.5000 0.2519-0.0000 ( 4378 PWs) bands (ev): -67.4029 -67.4029 -67.4025 -67.4025 -34.3452 -34.3452 -34.3436 -34.3436 -34.0601 -34.0601 -34.0590 -34.0590 -34.0541 -34.0541 -34.0525 -34.0525 -0.4783 -0.4783 -0.4566 -0.4566 -0.4011 -0.4011 -0.3806 -0.3806 0.1246 0.1246 0.2116 0.2116 0.3222 0.3222 0.4011 0.4011 0.5891 0.5891 0.6561 0.6561 5.4606 5.4606 6.0502 6.0502 6.7125 6.7125 7.4686 7.4686 10.7728 10.7728 10.8392 10.8392 12.0060 12.0060 12.0290 12.0290 k = 0.5000 0.2619-0.0000 ( 4374 PWs) bands (ev): -67.4028 -67.4028 -67.4025 -67.4025 -34.3451 -34.3451 -34.3437 -34.3437 -34.0600 -34.0600 -34.0590 -34.0590 -34.0539 -34.0539 -34.0526 -34.0526 -0.4765 -0.4765 -0.4570 -0.4570 -0.4005 -0.4005 -0.3820 -0.3820 0.1298 0.1298 0.2049 0.2049 0.3285 0.3285 0.3979 0.3979 0.5927 0.5927 0.6511 0.6511 5.5283 5.5283 6.1363 6.1363 6.6009 6.6009 7.3540 7.3540 10.8241 10.8241 10.8782 10.8782 12.0594 12.0594 12.0921 12.0921 k = 0.5000 0.2720-0.0000 ( 4370 PWs) bands (ev): -67.4028 -67.4028 -67.4025 -67.4025 -34.3450 -34.3450 -34.3438 -34.3438 -34.0599 -34.0599 -34.0591 -34.0591 -34.0538 -34.0538 -34.0527 -34.0527 -0.4746 -0.4746 -0.4578 -0.4578 -0.3997 -0.3997 -0.3835 -0.3835 0.1352 0.1352 0.1981 0.1981 0.3351 0.3351 0.3941 0.3941 0.5965 0.5965 0.6459 0.6459 5.5992 5.5992 6.2250 6.2250 6.4927 6.4927 7.2411 7.2411 10.8717 10.8717 10.9146 10.9146 12.1119 12.1119 12.1552 12.1552 k = 0.5000 0.2821-0.0000 ( 4374 PWs) bands (ev): -67.4028 -67.4028 -67.4026 -67.4026 -34.3449 -34.3449 -34.3439 -34.3439 -34.0599 -34.0599 -34.0592 -34.0592 -34.0537 -34.0537 -34.0528 -34.0528 -0.4727 -0.4727 -0.4588 -0.4588 -0.3986 -0.3986 -0.3852 -0.3852 0.1408 0.1408 0.1912 0.1912 0.3418 0.3418 0.3898 0.3898 0.6008 0.6008 0.6408 0.6408 5.6734 5.6734 6.3162 6.3162 6.3880 6.3880 7.1300 7.1300 10.9142 10.9142 10.9471 10.9471 12.1634 12.1634 12.2152 12.2152 k = 0.5000 0.2922-0.0000 ( 4370 PWs) bands (ev): -67.4028 -67.4028 -67.4026 -67.4026 -34.3447 -34.3447 -34.3440 -34.3440 -34.0598 -34.0598 -34.0593 -34.0593 -34.0536 -34.0536 -34.0529 -34.0529 -0.4707 -0.4707 -0.4600 -0.4600 -0.3973 -0.3973 -0.3869 -0.3869 0.1465 0.1465 0.1844 0.1844 0.3485 0.3485 0.3850 0.3850 0.6052 0.6052 0.6355 0.6355 5.7509 5.7509 6.2867 6.2867 6.4099 6.4099 7.0208 7.0208 10.9502 10.9502 10.9741 10.9741 12.2125 12.2125 12.2669 12.2669 k = 0.5000 0.3022-0.0000 ( 4372 PWs) bands (ev): -67.4027 -67.4027 -67.4026 -67.4026 -34.3446 -34.3446 -34.3442 -34.3442 -34.0597 -34.0597 -34.0594 -34.0594 -34.0534 -34.0534 -34.0530 -34.0530 -0.4687 -0.4687 -0.4615 -0.4615 -0.3958 -0.3958 -0.3887 -0.3887 0.1524 0.1524 0.1777 0.1777 0.3552 0.3552 0.3797 0.3797 0.6100 0.6100 0.6303 0.6303 5.8317 5.8317 6.1889 6.1889 6.5061 6.5061 6.9136 6.9136 10.9783 10.9783 10.9940 10.9940 12.2567 12.2567 12.3027 12.3027 k = 0.5000 0.3123-0.0000 ( 4364 PWs) bands (ev): -67.4027 -67.4027 -67.4026 -67.4026 -34.3445 -34.3445 -34.3443 -34.3443 -34.0596 -34.0596 -34.0595 -34.0595 -34.0533 -34.0533 -34.0531 -34.0531 -0.4668 -0.4668 -0.4632 -0.4632 -0.3941 -0.3941 -0.3905 -0.3905 0.1585 0.1585 0.1712 0.1712 0.3617 0.3617 0.3740 0.3740 0.6149 0.6149 0.6251 0.6251 5.9159 5.9159 6.0945 6.0945 6.6046 6.6046 6.8084 6.8084 10.9972 10.9972 11.0050 11.0050 12.2918 12.2918 12.3164 12.3164 k = 0.5000 0.3224-0.0000 ( 4364 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4649 -0.4649 -0.4649 -0.4649 -0.3924 -0.3924 -0.3924 -0.3924 0.1648 0.1648 0.1648 0.1648 0.3680 0.3680 0.3680 0.3680 0.6199 0.6199 0.6199 0.6199 6.0035 6.0035 6.0035 6.0035 6.7054 6.7054 6.7054 6.7054 11.0063 11.0063 11.0063 11.0063 12.3123 12.3123 12.3123 12.3123 k = 0.5000 0.3224-0.0000 ( 4364 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4649 -0.4649 -0.4649 -0.4649 -0.3924 -0.3924 -0.3924 -0.3924 0.1648 0.1648 0.1648 0.1648 0.3680 0.3680 0.3680 0.3680 0.6199 0.6199 0.6199 0.6199 6.0035 6.0035 6.0035 6.0035 6.7054 6.7054 6.7054 6.7054 11.0063 11.0063 11.0063 11.0063 12.3123 12.3123 12.3123 12.3123 k = 0.4898 0.3224-0.0000 ( 4368 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0595 -34.0595 -34.0532 -34.0532 -34.0532 -34.0532 -0.4647 -0.4647 -0.4647 -0.4647 -0.3926 -0.3926 -0.3921 -0.3921 0.1649 0.1649 0.1649 0.1649 0.3672 0.3672 0.3686 0.3686 0.6190 0.6190 0.6200 0.6200 5.9703 5.9703 5.9704 5.9704 6.7406 6.7406 6.7419 6.7419 10.9953 10.9953 10.9958 10.9958 12.1844 12.1844 12.2338 12.2338 k = 0.4796 0.3224-0.0000 ( 4372 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0595 -34.0595 -34.0595 -34.0595 -34.0532 -34.0532 -34.0532 -34.0532 -0.4640 -0.4640 -0.4640 -0.4640 -0.3928 -0.3928 -0.3917 -0.3917 0.1654 0.1654 0.1655 0.1655 0.3663 0.3663 0.3691 0.3691 0.6172 0.6172 0.6191 0.6191 5.8856 5.8856 5.8860 5.8860 6.8328 6.8328 6.8352 6.8352 10.9640 10.9640 10.9647 10.9647 12.0526 12.0526 12.1007 12.1007 k = 0.4694 0.3224-0.0000 ( 4376 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0595 -34.0595 -34.0595 -34.0595 -34.0532 -34.0532 -34.0532 -34.0532 -0.4628 -0.4628 -0.4628 -0.4628 -0.3930 -0.3930 -0.3914 -0.3914 0.1662 0.1662 0.1663 0.1663 0.3653 0.3653 0.3695 0.3695 0.6145 0.6145 0.6175 0.6175 5.7735 5.7735 5.7742 5.7742 6.9579 6.9579 6.9614 6.9614 10.9148 10.9148 10.9154 10.9154 11.9230 11.9230 11.9693 11.9693 k = 0.4592 0.3224-0.0000 ( 4372 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3443 -34.3443 -34.3443 -34.3443 -34.0595 -34.0595 -34.0595 -34.0595 -34.0532 -34.0532 -34.0532 -34.0532 -0.4611 -0.4611 -0.4611 -0.4611 -0.3931 -0.3931 -0.3909 -0.3909 0.1673 0.1673 0.1675 0.1675 0.3641 0.3641 0.3697 0.3697 0.6110 0.6110 0.6149 0.6149 5.6486 5.6486 5.6498 5.6498 7.1011 7.1011 7.1057 7.1057 10.8509 10.8509 10.8510 10.8510 11.7960 11.7960 11.8407 11.8407 k = 0.4490 0.3224-0.0000 ( 4368 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3443 -34.3443 -34.3443 -34.3443 -34.0594 -34.0594 -34.0594 -34.0594 -34.0532 -34.0532 -34.0531 -34.0531 -0.4590 -0.4590 -0.4590 -0.4590 -0.3931 -0.3931 -0.3905 -0.3905 0.1688 0.1688 0.1691 0.1691 0.3628 0.3628 0.3699 0.3699 0.6066 0.6066 0.6116 0.6116 5.5184 5.5184 5.5199 5.5199 7.2549 7.2549 7.2609 7.2609 10.7748 10.7748 10.7760 10.7760 11.6718 11.6718 11.7148 11.7148 k = 0.4388 0.3224-0.0000 ( 4372 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3443 -34.3443 -34.3443 -34.3443 -34.0594 -34.0594 -34.0593 -34.0593 -34.0532 -34.0532 -34.0531 -34.0531 -0.4565 -0.4565 -0.4565 -0.4565 -0.3932 -0.3932 -0.3900 -0.3900 0.1706 0.1706 0.1709 0.1709 0.3613 0.3613 0.3699 0.3699 0.6015 0.6015 0.6075 0.6075 5.3863 5.3863 5.3882 5.3882 7.4155 7.4155 7.4231 7.4231 10.6899 10.6899 10.6929 10.6929 11.5505 11.5505 11.5919 11.5919 k = 0.4286 0.3224-0.0000 ( 4376 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3442 -34.3442 -34.3442 -34.3442 -34.0593 -34.0593 -34.0593 -34.0593 -34.0531 -34.0531 -34.0531 -34.0531 -0.4536 -0.4536 -0.4535 -0.4535 -0.3932 -0.3932 -0.3894 -0.3894 0.1726 0.1726 0.1730 0.1730 0.3598 0.3598 0.3698 0.3698 0.5955 0.5955 0.6026 0.6026 5.2544 5.2544 5.2565 5.2565 7.5810 7.5810 7.5904 7.5904 10.5989 10.5989 10.6042 10.6042 11.4322 11.4322 11.4719 11.4719 k = 0.4184 0.3224-0.0000 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3442 -34.3442 -34.3442 -34.3442 -34.0593 -34.0593 -34.0592 -34.0592 -34.0531 -34.0531 -34.0530 -34.0530 -0.4503 -0.4503 -0.4502 -0.4502 -0.3932 -0.3932 -0.3888 -0.3888 0.1749 0.1749 0.1754 0.1754 0.3581 0.3581 0.3696 0.3696 0.5889 0.5889 0.5970 0.5970 5.1236 5.1236 5.1260 5.1260 7.7499 7.7499 7.7616 7.7616 10.5040 10.5040 10.5122 10.5122 11.3169 11.3169 11.3550 11.3550 k = 0.4082 0.3224-0.0000 ( 4396 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3441 -34.3441 -34.3441 -34.3441 -34.0592 -34.0592 -34.0592 -34.0592 -34.0531 -34.0531 -34.0530 -34.0530 -0.4468 -0.4468 -0.4466 -0.4466 -0.3931 -0.3931 -0.3882 -0.3882 0.1775 0.1775 0.1781 0.1781 0.3564 0.3564 0.3693 0.3693 0.5815 0.5815 0.5908 0.5908 4.9946 4.9946 4.9973 4.9973 7.9211 7.9211 7.9356 7.9356 10.4069 10.4069 10.4188 10.4188 11.2048 11.2048 11.2412 11.2412 k = 0.3980 0.3224-0.0000 ( 4396 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3441 -34.3441 -34.3440 -34.3440 -34.0591 -34.0591 -34.0591 -34.0591 -34.0530 -34.0530 -34.0530 -34.0530 -0.4430 -0.4430 -0.4427 -0.4427 -0.3930 -0.3930 -0.3875 -0.3875 0.1803 0.1803 0.1810 0.1810 0.3546 0.3546 0.3690 0.3690 0.5736 0.5736 0.5840 0.5840 4.8679 4.8679 4.8708 4.8708 8.0936 8.0936 8.1117 8.1117 10.3092 10.3092 10.3256 10.3256 11.0959 11.0959 11.1306 11.1306 k = 0.3878 0.3224-0.0000 ( 4398 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3440 -34.3440 -34.3440 -34.3440 -34.0590 -34.0590 -34.0590 -34.0590 -34.0530 -34.0530 -34.0529 -34.0529 -0.4390 -0.4390 -0.4386 -0.4386 -0.3928 -0.3928 -0.3867 -0.3867 0.1833 0.1833 0.1842 0.1842 0.3528 0.3528 0.3687 0.3687 0.5650 0.5650 0.5767 0.5767 4.7437 4.7437 4.7469 4.7469 8.2662 8.2662 8.2887 8.2887 10.2124 10.2124 10.2346 10.2346 10.9903 10.9903 11.0232 11.0232 k = 0.3776 0.3224-0.0000 ( 4394 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3439 -34.3439 -34.3439 -34.3439 -34.0589 -34.0589 -34.0589 -34.0589 -34.0529 -34.0529 -34.0528 -34.0528 -0.4348 -0.4348 -0.4343 -0.4343 -0.3925 -0.3925 -0.3859 -0.3859 0.1864 0.1864 0.1875 0.1875 0.3511 0.3511 0.3683 0.3683 0.5560 0.5560 0.5690 0.5690 4.6222 4.6222 4.6256 4.6256 8.4370 8.4370 8.4655 8.4655 10.1181 10.1181 10.1477 10.1477 10.8883 10.8883 10.9192 10.9192 k = 0.3673 0.3224-0.0000 ( 4402 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3438 -34.3438 -34.3438 -34.3438 -34.0588 -34.0588 -34.0588 -34.0588 -34.0528 -34.0528 -34.0527 -34.0527 -0.4307 -0.4307 -0.4300 -0.4300 -0.3922 -0.3922 -0.3850 -0.3850 0.1896 0.1896 0.1910 0.1910 0.3493 0.3493 0.3679 0.3679 0.5467 0.5467 0.5609 0.5609 4.5037 4.5037 4.5072 4.5072 8.6034 8.6034 8.6399 8.6399 10.0286 10.0286 10.0678 10.0678 10.7900 10.7900 10.8188 10.8188 k = 0.3571 0.3224-0.0000 ( 4406 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3437 -34.3437 -34.3437 -34.3437 -34.0587 -34.0587 -34.0587 -34.0587 -34.0527 -34.0527 -34.0527 -34.0527 -0.4266 -0.4266 -0.4258 -0.4258 -0.3916 -0.3916 -0.3839 -0.3839 0.1928 0.1928 0.1946 0.1946 0.3477 0.3477 0.3676 0.3676 0.5369 0.5369 0.5525 0.5525 4.3881 4.3881 4.3918 4.3918 8.7608 8.7608 8.8083 8.8083 9.9473 9.9473 9.9994 9.9994 10.6958 10.6958 10.7223 10.7223 k = 0.3469 0.3224-0.0000 ( 4414 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3436 -34.3436 -34.3436 -34.3436 -34.0586 -34.0586 -34.0586 -34.0586 -34.0526 -34.0526 -34.0526 -34.0526 -0.4226 -0.4226 -0.4218 -0.4218 -0.3909 -0.3909 -0.3827 -0.3827 0.1960 0.1960 0.1982 0.1982 0.3462 0.3462 0.3673 0.3673 0.5270 0.5270 0.5439 0.5439 4.2756 4.2756 4.2794 4.2794 8.9018 8.9018 8.9637 8.9637 9.8808 9.8808 9.9496 9.9496 10.6066 10.6066 10.6303 10.6303 k = 0.3367 0.3224-0.0000 ( 4410 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3435 -34.3435 -34.3435 -34.3435 -34.0585 -34.0585 -34.0585 -34.0585 -34.0525 -34.0525 -34.0524 -34.0524 -0.4189 -0.4189 -0.4182 -0.4182 -0.3898 -0.3898 -0.3813 -0.3813 0.1990 0.1990 0.2018 0.2018 0.3451 0.3451 0.3672 0.3672 0.5170 0.5170 0.5353 0.5353 4.1662 4.1662 4.1702 4.1702 9.0147 9.0147 9.0930 9.0930 9.8409 9.8409 9.9290 9.9290 10.5239 10.5239 10.5443 10.5443 k = 0.3265 0.3224-0.0000 ( 4406 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3434 -34.3434 -34.3434 -34.3434 -34.0584 -34.0584 -34.0584 -34.0584 -34.0524 -34.0524 -34.0523 -34.0523 -0.4156 -0.4156 -0.4151 -0.4151 -0.3882 -0.3882 -0.3796 -0.3796 0.2018 0.2018 0.2054 0.2054 0.3442 0.3442 0.3672 0.3672 0.5070 0.5070 0.5266 0.5266 4.0601 4.0601 4.0642 4.0642 9.0859 9.0859 9.1759 9.1759 9.8446 9.8446 9.9481 9.9481 10.4509 10.4509 10.4673 10.4673 k = 0.3163 0.3224-0.0000 ( 4404 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3433 -34.3433 -34.3433 -34.3433 -34.0583 -34.0583 -34.0583 -34.0583 -34.0522 -34.0522 -34.0522 -34.0522 -0.4128 -0.4128 -0.4127 -0.4127 -0.3861 -0.3861 -0.3777 -0.3777 0.2044 0.2044 0.2089 0.2089 0.3437 0.3437 0.3673 0.3673 0.4971 0.4971 0.5180 0.5180 3.9571 3.9571 3.9614 3.9614 9.1095 9.1095 9.1992 9.1992 9.8968 9.8968 10.0036 10.0036 10.3963 10.3963 10.4085 10.4085 k = 0.3061 0.3224-0.0000 ( 4400 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3432 -34.3432 -34.3432 -34.3432 -34.0582 -34.0582 -34.0582 -34.0582 -34.0521 -34.0521 -34.0520 -34.0520 -0.4111 -0.4111 -0.4105 -0.4105 -0.3836 -0.3836 -0.3756 -0.3756 0.2066 0.2066 0.2122 0.2122 0.3437 0.3437 0.3676 0.3676 0.4876 0.4876 0.5097 0.5097 3.8575 3.8575 3.8618 3.8618 9.0934 9.0934 9.1737 9.1737 9.9644 9.9644 10.0608 10.0608 10.3821 10.3821 10.3952 10.3952 k = 0.2959 0.3224-0.0000 ( 4400 PWs) bands (ev): -67.4030 -67.4030 -67.4030 -67.4030 -34.3431 -34.3431 -34.3430 -34.3430 -34.0582 -34.0582 -34.0581 -34.0581 -34.0519 -34.0519 -34.0518 -34.0518 -0.4102 -0.4102 -0.4088 -0.4088 -0.3807 -0.3807 -0.3733 -0.3733 0.2083 0.2083 0.2153 0.2153 0.3443 0.3443 0.3681 0.3681 0.4784 0.4784 0.5016 0.5016 3.7611 3.7611 3.7655 3.7655 9.0511 9.0511 9.1204 9.1204 9.9924 9.9924 10.0663 10.0663 10.4428 10.4428 10.4670 10.4670 k = 0.2857 0.3224-0.0000 ( 4412 PWs) bands (ev): -67.4030 -67.4030 -67.4030 -67.4030 -34.3430 -34.3430 -34.3429 -34.3429 -34.0581 -34.0581 -34.0580 -34.0580 -34.0518 -34.0518 -34.0517 -34.0517 -0.4098 -0.4098 -0.4076 -0.4076 -0.3777 -0.3777 -0.3710 -0.3710 0.2096 0.2096 0.2181 0.2181 0.3454 0.3454 0.3688 0.3688 0.4698 0.4698 0.4939 0.4939 3.6681 3.6681 3.6725 3.6725 8.9937 8.9937 9.0534 9.0534 9.9692 9.9692 10.0248 10.0248 10.5757 10.5757 10.6082 10.6082 k = 0.2755 0.3224-0.0000 ( 4410 PWs) bands (ev): -67.4030 -67.4030 -67.4030 -67.4030 -34.3429 -34.3429 -34.3428 -34.3428 -34.0580 -34.0580 -34.0580 -34.0580 -34.0516 -34.0516 -34.0515 -34.0515 -0.4100 -0.4100 -0.4068 -0.4068 -0.3747 -0.3747 -0.3687 -0.3687 0.2105 0.2105 0.2206 0.2206 0.3470 0.3470 0.3696 0.3696 0.4619 0.4619 0.4868 0.4868 3.5783 3.5783 3.5829 3.5829 8.9282 8.9282 8.9800 8.9800 9.9205 9.9205 9.9657 9.9657 10.7478 10.7478 10.7825 10.7825 k = 0.2653 0.3224-0.0000 ( 4414 PWs) bands (ev): -67.4030 -67.4030 -67.4030 -67.4030 -34.3427 -34.3427 -34.3427 -34.3427 -34.0580 -34.0580 -34.0579 -34.0579 -34.0514 -34.0514 -34.0513 -34.0513 -0.4105 -0.4105 -0.4065 -0.4065 -0.3718 -0.3718 -0.3666 -0.3666 0.2110 0.2110 0.2227 0.2227 0.3492 0.3492 0.3704 0.3704 0.4550 0.4550 0.4802 0.4802 3.4919 3.4919 3.4965 3.4965 8.8586 8.8586 8.9041 8.9041 9.8626 9.8626 9.9016 9.9016 10.9392 10.9392 10.9736 10.9736 k = 0.2551 0.3224-0.0000 ( 4414 PWs) bands (ev): -67.4031 -67.4031 -67.4031 -67.4031 -34.3426 -34.3426 -34.3426 -34.3426 -34.0579 -34.0579 -34.0579 -34.0579 -34.0512 -34.0512 -34.0511 -34.0511 -0.4114 -0.4114 -0.4066 -0.4066 -0.3693 -0.3693 -0.3649 -0.3649 0.2112 0.2112 0.2246 0.2246 0.3517 0.3517 0.3710 0.3710 0.4493 0.4493 0.4744 0.4744 3.4088 3.4088 3.4135 3.4135 8.7871 8.7871 8.8275 8.8275 9.8019 9.8019 9.8367 9.8367 11.1415 11.1415 11.1747 11.1747 k = 0.2449 0.3224-0.0000 ( 4420 PWs) bands (ev): -67.4031 -67.4031 -67.4031 -67.4031 -34.3425 -34.3425 -34.3425 -34.3425 -34.0579 -34.0579 -34.0578 -34.0578 -34.0510 -34.0510 -34.0509 -34.0509 -0.4126 -0.4126 -0.4070 -0.4070 -0.3672 -0.3672 -0.3636 -0.3636 0.2111 0.2111 0.2262 0.2262 0.3544 0.3544 0.3714 0.3714 0.4450 0.4450 0.4694 0.4694 3.3291 3.3291 3.3337 3.3337 8.7153 8.7153 8.7514 8.7514 9.7411 9.7411 9.7727 9.7727 11.3507 11.3507 11.3825 11.3825 k = 0.2347 0.3224-0.0000 ( 4412 PWs) bands (ev): -67.4031 -67.4031 -67.4031 -67.4031 -34.3424 -34.3424 -34.3424 -34.3424 -34.0578 -34.0578 -34.0578 -34.0578 -34.0508 -34.0508 -34.0507 -34.0507 -0.4140 -0.4140 -0.4078 -0.4078 -0.3656 -0.3656 -0.3628 -0.3628 0.2109 0.2109 0.2275 0.2275 0.3572 0.3572 0.3712 0.3712 0.4423 0.4423 0.4655 0.4655 3.2526 3.2526 3.2573 3.2573 8.6441 8.6441 8.6766 8.6766 9.6815 9.6815 9.7105 9.7105 11.5651 11.5651 11.5955 11.5955 k = 0.2245 0.3224-0.0000 ( 4410 PWs) bands (ev): -67.4031 -67.4031 -67.4031 -67.4031 -34.3423 -34.3423 -34.3422 -34.3422 -34.0578 -34.0578 -34.0577 -34.0577 -34.0505 -34.0505 -34.0504 -34.0504 -0.4157 -0.4157 -0.4088 -0.4088 -0.3645 -0.3645 -0.3624 -0.3624 0.2108 0.2108 0.2287 0.2287 0.3598 0.3598 0.3704 0.3704 0.4414 0.4414 0.4626 0.4626 3.1795 3.1795 3.1842 3.1842 8.5742 8.5742 8.6036 8.6036 9.6236 9.6236 9.6504 9.6504 11.7833 11.7833 11.8125 11.8125 k = 0.2143 0.3224-0.0000 ( 4398 PWs) bands (ev): -67.4032 -67.4032 -67.4032 -67.4032 -34.3421 -34.3421 -34.3421 -34.3421 -34.0577 -34.0577 -34.0577 -34.0577 -34.0503 -34.0503 -34.0502 -34.0502 -0.4176 -0.4176 -0.4102 -0.4102 -0.3640 -0.3640 -0.3627 -0.3627 0.2108 0.2108 0.2299 0.2299 0.3621 0.3621 0.3689 0.3689 0.4421 0.4421 0.4610 0.4610 3.1097 3.1097 3.1143 3.1143 8.5059 8.5059 8.5327 8.5327 9.5678 9.5678 9.5927 9.5927 12.0047 12.0047 12.0328 12.0328 k = 0.2041 0.3224-0.0000 ( 4398 PWs) bands (ev): -67.4032 -67.4032 -67.4032 -67.4032 -34.3420 -34.3420 -34.3420 -34.3420 -34.0577 -34.0577 -34.0577 -34.0577 -34.0501 -34.0501 -34.0500 -34.0500 -0.4198 -0.4198 -0.4119 -0.4119 -0.3639 -0.3639 -0.3635 -0.3635 0.2110 0.2110 0.2310 0.2310 0.3638 0.3638 0.3668 0.3668 0.4443 0.4443 0.4606 0.4606 3.0432 3.0432 3.0478 3.0478 8.4397 8.4397 8.4641 8.4641 9.5142 9.5142 9.5374 9.5374 12.2287 12.2287 12.2558 12.2558 k = 0.1939 0.3224-0.0000 ( 4394 PWs) bands (ev): -67.4032 -67.4032 -67.4032 -67.4032 -34.3419 -34.3419 -34.3419 -34.3419 -34.0577 -34.0577 -34.0576 -34.0576 -34.0498 -34.0498 -34.0497 -34.0497 -0.4223 -0.4223 -0.4139 -0.4139 -0.3647 -0.3647 -0.3644 -0.3644 0.2115 0.2115 0.2322 0.2322 0.3643 0.3643 0.3649 0.3649 0.4478 0.4478 0.4616 0.4616 2.9799 2.9799 2.9845 2.9845 8.3758 8.3758 8.3980 8.3980 9.4632 9.4632 9.4848 9.4848 12.4550 12.4550 12.4812 12.4812 k = 0.1837 0.3224-0.0000 ( 4394 PWs) bands (ev): -67.4032 -67.4032 -67.4032 -67.4032 -34.3418 -34.3418 -34.3418 -34.3418 -34.0577 -34.0577 -34.0576 -34.0576 -34.0496 -34.0496 -34.0495 -34.0495 -0.4250 -0.4250 -0.4162 -0.4162 -0.3664 -0.3664 -0.3654 -0.3654 0.2123 0.2123 0.2335 0.2335 0.3615 0.3615 0.3652 0.3652 0.4523 0.4523 0.4638 0.4638 2.9200 2.9200 2.9245 2.9245 8.3143 8.3143 8.3346 8.3346 9.4146 9.4146 9.4347 9.4347 12.6831 12.6831 12.7085 12.7085 k = 0.1735 0.3224-0.0000 ( 4394 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3417 -34.3417 -34.3417 -34.3417 -34.0577 -34.0577 -34.0576 -34.0576 -34.0494 -34.0494 -34.0493 -34.0493 -0.4280 -0.4280 -0.4189 -0.4189 -0.3684 -0.3684 -0.3667 -0.3667 0.2136 0.2136 0.2350 0.2350 0.3587 0.3587 0.3650 0.3650 0.4576 0.4576 0.4671 0.4671 2.8633 2.8633 2.8677 2.8677 8.2555 8.2555 8.2741 8.2741 9.3686 9.3686 9.3873 9.3873 12.9126 12.9126 12.9374 12.9374 k = 0.1633 0.3224-0.0000 ( 4392 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3416 -34.3416 -34.3416 -34.3416 -34.0577 -34.0577 -34.0576 -34.0576 -34.0492 -34.0492 -34.0491 -34.0491 -0.4312 -0.4312 -0.4220 -0.4220 -0.3707 -0.3707 -0.3684 -0.3684 0.2153 0.2153 0.2366 0.2366 0.3559 0.3559 0.3642 0.3642 0.4634 0.4634 0.4713 0.4713 2.8098 2.8098 2.8141 2.8141 8.1995 8.1995 8.2165 8.2165 9.3252 9.3252 9.3426 9.3426 13.1432 13.1432 13.1673 13.1673 k = 0.1531 0.3224-0.0000 ( 4392 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3415 -34.3415 -34.3415 -34.3415 -34.0577 -34.0577 -34.0576 -34.0576 -34.0489 -34.0489 -34.0489 -34.0489 -0.4347 -0.4347 -0.4254 -0.4254 -0.3730 -0.3730 -0.3703 -0.3703 0.2173 0.2173 0.2385 0.2385 0.3531 0.3531 0.3630 0.3630 0.4695 0.4695 0.4761 0.4761 2.7596 2.7596 2.7638 2.7638 8.1465 8.1465 8.1619 8.1619 9.2844 9.2844 9.3005 9.3005 13.3743 13.3743 13.3978 13.3978 k = 0.1429 0.3224-0.0000 ( 4404 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3414 -34.3414 -34.3414 -34.3414 -34.0577 -34.0577 -34.0576 -34.0576 -34.0487 -34.0487 -34.0487 -34.0487 -0.4384 -0.4384 -0.4293 -0.4293 -0.3754 -0.3754 -0.3723 -0.3723 0.2197 0.2197 0.2405 0.2405 0.3505 0.3505 0.3614 0.3614 0.4758 0.4758 0.4815 0.4815 2.7127 2.7127 2.7167 2.7167 8.0964 8.0964 8.1104 8.1104 9.2463 9.2463 9.2612 9.2612 13.6051 13.6051 13.6280 13.6280 k = 0.1327 0.3224-0.0000 ( 4404 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3413 -34.3413 -34.3413 -34.3413 -34.0577 -34.0577 -34.0576 -34.0576 -34.0485 -34.0485 -34.0485 -34.0485 -0.4423 -0.4423 -0.4334 -0.4334 -0.3778 -0.3778 -0.3745 -0.3745 0.2224 0.2224 0.2427 0.2427 0.3481 0.3481 0.3597 0.3597 0.4823 0.4823 0.4871 0.4871 2.6689 2.6689 2.6728 2.6728 8.0494 8.0494 8.0621 8.0621 9.2108 9.2108 9.2245 9.2245 13.8346 13.8346 13.8568 13.8568 k = 0.1224 0.3224-0.0000 ( 4398 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3412 -34.3412 -34.3412 -34.3412 -34.0576 -34.0576 -34.0576 -34.0576 -34.0483 -34.0483 -34.0483 -34.0483 -0.4464 -0.4464 -0.4379 -0.4379 -0.3800 -0.3800 -0.3766 -0.3766 0.2254 0.2254 0.2450 0.2450 0.3459 0.3459 0.3578 0.3578 0.4887 0.4887 0.4929 0.4929 2.6284 2.6284 2.6322 2.6322 8.0056 8.0056 8.0172 8.0172 9.1779 9.1779 9.1905 9.1905 14.0609 14.0609 14.0824 14.0824 k = 0.1122 0.3224-0.0000 ( 4396 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3411 -34.3411 -34.3411 -34.3411 -34.0577 -34.0577 -34.0576 -34.0576 -34.0482 -34.0482 -34.0481 -34.0481 -0.4505 -0.4505 -0.4425 -0.4425 -0.3820 -0.3820 -0.3786 -0.3786 0.2285 0.2285 0.2473 0.2473 0.3439 0.3439 0.3559 0.3559 0.4949 0.4949 0.4986 0.4986 2.5912 2.5912 2.5947 2.5947 7.9652 7.9652 7.9755 7.9755 9.1478 9.1478 9.1592 9.1592 14.2810 14.2810 14.3014 14.3014 k = 0.1020 0.3224-0.0000 ( 4398 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3411 -34.3411 -34.3411 -34.3411 -34.0577 -34.0577 -34.0576 -34.0576 -34.0480 -34.0480 -34.0479 -34.0479 -0.4547 -0.4547 -0.4472 -0.4472 -0.3839 -0.3839 -0.3806 -0.3806 0.2318 0.2318 0.2496 0.2496 0.3422 0.3422 0.3540 0.3540 0.5009 0.5009 0.5042 0.5042 2.5571 2.5571 2.5604 2.5604 7.9280 7.9280 7.9372 7.9372 9.1203 9.1203 9.1306 9.1306 14.4886 14.4886 14.5074 14.5074 k = 0.0918 0.3224-0.0000 ( 4398 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3410 -34.3410 -34.3410 -34.3410 -34.0577 -34.0577 -34.0576 -34.0576 -34.0478 -34.0478 -34.0478 -34.0478 -0.4587 -0.4587 -0.4519 -0.4519 -0.3855 -0.3855 -0.3824 -0.3824 0.2352 0.2352 0.2518 0.2518 0.3407 0.3407 0.3521 0.3521 0.5066 0.5066 0.5096 0.5096 2.5263 2.5263 2.5294 2.5294 7.8942 7.8942 7.9024 7.9024 9.0955 9.0955 9.1047 9.1047 14.6719 14.6719 14.6879 14.6879 k = 0.0816 0.3224-0.0000 ( 4406 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3410 -34.3410 -34.3409 -34.3409 -34.0577 -34.0577 -34.0576 -34.0576 -34.0477 -34.0477 -34.0477 -34.0477 -0.4626 -0.4626 -0.4565 -0.4565 -0.3869 -0.3869 -0.3841 -0.3841 0.2385 0.2385 0.2538 0.2538 0.3394 0.3394 0.3502 0.3502 0.5119 0.5119 0.5146 0.5146 2.4988 2.4988 2.5015 2.5015 7.8639 7.8639 7.8711 7.8711 9.0733 9.0733 9.0815 9.0815 14.8125 14.8125 14.8241 14.8241 k = 0.0714 0.3224-0.0000 ( 4410 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3409 -34.3409 -34.3409 -34.3409 -34.0577 -34.0577 -34.0576 -34.0576 -34.0476 -34.0476 -34.0475 -34.0475 -0.4662 -0.4662 -0.4609 -0.4609 -0.3881 -0.3881 -0.3857 -0.3857 0.2417 0.2417 0.2556 0.2556 0.3385 0.3385 0.3485 0.3485 0.5168 0.5168 0.5191 0.5191 2.4745 2.4745 2.4769 2.4769 7.8371 7.8371 7.8433 7.8433 9.0538 9.0538 9.0609 9.0609 14.8983 14.8983 14.9054 14.9054 k = 0.0612 0.3224-0.0000 ( 4418 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3409 -34.3409 -34.3409 -34.3409 -34.0577 -34.0577 -34.0577 -34.0577 -34.0475 -34.0475 -34.0474 -34.0474 -0.4695 -0.4695 -0.4650 -0.4650 -0.3892 -0.3892 -0.3870 -0.3870 0.2448 0.2448 0.2571 0.2571 0.3378 0.3378 0.3468 0.3468 0.5212 0.5212 0.5232 0.5232 2.4534 2.4534 2.4556 2.4556 7.8138 7.8138 7.8191 7.8191 9.0370 9.0370 9.0431 9.0431 14.9406 14.9406 14.9446 14.9446 k = 0.0510 0.3224-0.0000 ( 4412 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0577 -34.0577 -34.0577 -34.0577 -34.0474 -34.0474 -34.0474 -34.0474 -0.4724 -0.4724 -0.4686 -0.4686 -0.3900 -0.3900 -0.3882 -0.3882 0.2478 0.2478 0.2583 0.2583 0.3374 0.3374 0.3452 0.3452 0.5250 0.5250 0.5267 0.5267 2.4356 2.4356 2.4374 2.4374 7.7941 7.7941 7.7985 7.7985 9.0228 9.0228 9.0279 9.0279 14.9590 14.9590 14.9613 14.9613 k = 0.0408 0.3224-0.0000 ( 4412 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0577 -34.0577 -34.0577 -34.0577 -34.0473 -34.0473 -34.0473 -34.0473 -0.4748 -0.4748 -0.4717 -0.4717 -0.3906 -0.3906 -0.3891 -0.3891 0.2505 0.2505 0.2591 0.2591 0.3373 0.3373 0.3437 0.3437 0.5283 0.5283 0.5296 0.5296 2.4210 2.4210 2.4225 2.4225 7.7780 7.7780 7.7815 7.7815 9.0113 9.0113 9.0154 9.0154 14.9660 14.9660 14.9674 14.9674 k = 0.0306 0.3224-0.0000 ( 4412 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4766 -0.4766 -0.4743 -0.4743 -0.3910 -0.3910 -0.3900 -0.3900 0.2529 0.2529 0.2595 0.2595 0.3374 0.3374 0.3423 0.3423 0.5309 0.5309 0.5319 0.5319 2.4098 2.4098 2.4109 2.4109 7.7656 7.7656 7.7682 7.7682 9.0025 9.0025 9.0055 9.0055 14.9680 14.9680 14.9689 14.9689 k = 0.0204 0.3224-0.0000 ( 4416 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4778 -0.4778 -0.4763 -0.4763 -0.3913 -0.3913 -0.3906 -0.3906 0.2549 0.2549 0.2594 0.2594 0.3377 0.3377 0.3411 0.3411 0.5328 0.5328 0.5335 0.5335 2.4018 2.4018 2.4025 2.4025 7.7568 7.7568 7.7585 7.7585 8.9963 8.9963 8.9983 8.9983 14.9681 14.9681 14.9686 14.9686 k = 0.0102 0.3224-0.0000 ( 4424 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4784 -0.4784 -0.4777 -0.4777 -0.3914 -0.3914 -0.3910 -0.3910 0.2567 0.2567 0.2589 0.2589 0.3383 0.3383 0.3400 0.3400 0.5340 0.5340 0.5343 0.5343 2.3970 2.3970 2.3974 2.3974 7.7517 7.7517 7.7525 7.7525 8.9928 8.9928 8.9938 8.9938 14.9677 14.9677 14.9679 14.9679 k = 0.0000 0.3224-0.0000 ( 4420 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4784 -0.4784 -0.4784 -0.4784 -0.3913 -0.3913 -0.3913 -0.3913 0.2580 0.2580 0.2580 0.2580 0.3391 0.3391 0.3391 0.3391 0.5345 0.5345 0.5345 0.5345 2.3956 2.3956 2.3956 2.3956 7.7503 7.7503 7.7503 7.7503 8.9920 8.9920 8.9920 8.9920 14.9676 14.9676 14.9676 14.9676 k = 0.0000 0.3224-0.0000 ( 4420 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4784 -0.4784 -0.4784 -0.4784 -0.3913 -0.3913 -0.3913 -0.3913 0.2580 0.2580 0.2580 0.2580 0.3391 0.3391 0.3391 0.3391 0.5345 0.5345 0.5345 0.5345 2.3956 2.3956 2.3956 2.3956 7.7503 7.7503 7.7503 7.7503 8.9920 8.9920 8.9920 8.9920 14.9676 14.9676 14.9676 14.9676 k = 0.0000 0.3123-0.0000 ( 4424 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3409 -34.3409 -34.3406 -34.3406 -34.0579 -34.0579 -34.0575 -34.0575 -34.0472 -34.0472 -34.0472 -34.0472 -0.4799 -0.4799 -0.4771 -0.4771 -0.3958 -0.3958 -0.3868 -0.3868 0.2565 0.2565 0.2596 0.2596 0.3348 0.3348 0.3432 0.3432 0.5310 0.5310 0.5383 0.5383 2.2942 2.2942 2.5000 2.5000 7.7353 7.7353 7.7534 7.7534 8.9959 8.9959 9.0054 9.0054 14.7228 14.7228 15.2089 15.2089 k = 0.0000 0.3022-0.0000 ( 4418 PWs) bands (ev): -67.4035 -67.4035 -67.4034 -67.4034 -34.3410 -34.3410 -34.3405 -34.3405 -34.0581 -34.0581 -34.0573 -34.0573 -34.0472 -34.0472 -34.0471 -34.0471 -0.4815 -0.4815 -0.4760 -0.4760 -0.4003 -0.4003 -0.3825 -0.3825 0.2551 0.2551 0.2614 0.2614 0.3306 0.3306 0.3472 0.3472 0.5277 0.5277 0.5422 0.5422 2.1959 2.1959 2.6073 2.6073 7.7092 7.7092 7.7450 7.7450 9.0169 9.0169 9.0355 9.0355 14.4760 14.4760 15.4446 15.4446 k = 0.0000 0.2922-0.0000 ( 4420 PWs) bands (ev): -67.4036 -67.4036 -67.4034 -67.4034 -34.3412 -34.3412 -34.3403 -34.3403 -34.0583 -34.0583 -34.0570 -34.0570 -34.0472 -34.0472 -34.0471 -34.0471 -0.4833 -0.4833 -0.4751 -0.4751 -0.4047 -0.4047 -0.3784 -0.3784 0.2539 0.2539 0.2632 0.2632 0.3264 0.3264 0.3511 0.3511 0.5247 0.5247 0.5463 0.5463 2.1006 2.1006 2.7177 2.7177 7.6735 7.6735 7.7261 7.7261 9.0535 9.0535 9.0808 9.0808 14.2282 14.2282 15.6714 15.6714 k = 0.0000 0.2821-0.0000 ( 4420 PWs) bands (ev): -67.4036 -67.4036 -67.4034 -67.4034 -34.3413 -34.3413 -34.3402 -34.3402 -34.0585 -34.0585 -34.0568 -34.0568 -34.0473 -34.0473 -34.0471 -34.0471 -0.4852 -0.4852 -0.4745 -0.4745 -0.4088 -0.4088 -0.3746 -0.3746 0.2528 0.2528 0.2652 0.2652 0.3223 0.3223 0.3547 0.3547 0.5220 0.5220 0.5505 0.5505 2.0084 2.0084 2.8309 2.8309 7.6300 7.6300 7.6986 7.6986 9.1042 9.1042 9.1395 9.1395 13.9802 13.9802 15.8824 15.8824 k = 0.0000 0.2720-0.0000 ( 4421 PWs) bands (ev): -67.4036 -67.4036 -67.4033 -67.4033 -34.3414 -34.3414 -34.3401 -34.3401 -34.0587 -34.0587 -34.0566 -34.0566 -34.0473 -34.0473 -34.0471 -34.0471 -0.4871 -0.4871 -0.4743 -0.4743 -0.4127 -0.4127 -0.3711 -0.3711 0.2519 0.2519 0.2672 0.2672 0.3184 0.3184 0.3580 0.3580 0.5196 0.5196 0.5547 0.5547 1.9193 1.9193 2.9469 2.9469 7.5805 7.5805 7.6644 7.6644 9.1669 9.1669 9.2097 9.2097 13.7326 13.7326 16.0344 16.0344 k = 0.0000 0.2619-0.0000 ( 4427 PWs) bands (ev): -67.4037 -67.4037 -67.4033 -67.4033 -34.3415 -34.3415 -34.3400 -34.3400 -34.0589 -34.0589 -34.0564 -34.0564 -34.0473 -34.0473 -34.0471 -34.0471 -0.4892 -0.4892 -0.4744 -0.4744 -0.4161 -0.4161 -0.3681 -0.3681 0.2512 0.2512 0.2694 0.2694 0.3146 0.3146 0.3610 0.3610 0.5176 0.5176 0.5590 0.5590 1.8334 1.8334 3.0658 3.0658 7.5269 7.5269 7.6254 7.6254 9.2398 9.2398 9.2896 9.2896 13.4858 13.4858 15.9947 15.9947 k = 0.0000 0.2519-0.0000 ( 4425 PWs) bands (ev): -67.4037 -67.4037 -67.4033 -67.4033 -34.3417 -34.3417 -34.3398 -34.3398 -34.0590 -34.0590 -34.0562 -34.0562 -34.0474 -34.0474 -34.0471 -34.0471 -0.4912 -0.4912 -0.4749 -0.4749 -0.4192 -0.4192 -0.3655 -0.3655 0.2507 0.2507 0.2716 0.2716 0.3111 0.3111 0.3637 0.3637 0.5159 0.5159 0.5633 0.5633 1.7506 1.7506 3.1875 3.1875 7.4706 7.4706 7.5830 7.5830 9.3213 9.3213 9.3778 9.3778 13.2402 13.2402 15.9167 15.9167 k = 0.0000 0.2418-0.0000 ( 4427 PWs) bands (ev): -67.4037 -67.4037 -67.4033 -67.4033 -34.3418 -34.3418 -34.3397 -34.3397 -34.0592 -34.0592 -34.0560 -34.0560 -34.0474 -34.0474 -34.0471 -34.0471 -0.4933 -0.4933 -0.4758 -0.4758 -0.4217 -0.4217 -0.3635 -0.3635 0.2504 0.2504 0.2739 0.2739 0.3078 0.3078 0.3659 0.3659 0.5147 0.5147 0.5675 0.5675 1.6710 1.6710 3.3118 3.3118 7.4126 7.4126 7.5386 7.5386 9.4102 9.4102 9.4729 9.4729 12.9961 12.9961 15.8379 15.8379 k = 0.0000 0.2317-0.0000 ( 4431 PWs) bands (ev): -67.4037 -67.4037 -67.4032 -67.4032 -34.3419 -34.3419 -34.3396 -34.3396 -34.0594 -34.0594 -34.0558 -34.0558 -34.0474 -34.0474 -34.0471 -34.0471 -0.4954 -0.4954 -0.4771 -0.4771 -0.4237 -0.4237 -0.3621 -0.3621 0.2503 0.2503 0.2762 0.2762 0.3048 0.3048 0.3678 0.3678 0.5139 0.5139 0.5717 0.5717 1.5947 1.5947 3.4388 3.4388 7.3539 7.3539 7.4932 7.4932 9.5056 9.5056 9.5740 9.5740 12.7538 12.7538 15.7611 15.7611 k = 0.0000 0.2216-0.0000 ( 4427 PWs) bands (ev): -67.4038 -67.4038 -67.4032 -67.4032 -34.3420 -34.3420 -34.3395 -34.3395 -34.0596 -34.0596 -34.0556 -34.0556 -34.0475 -34.0475 -34.0471 -34.0471 -0.4974 -0.4974 -0.4787 -0.4787 -0.4253 -0.4253 -0.3612 -0.3612 0.2504 0.2504 0.2786 0.2786 0.3022 0.3022 0.3692 0.3692 0.5134 0.5134 0.5758 0.5758 1.5215 1.5215 3.5684 3.5684 7.2953 7.2953 7.4475 7.4475 9.6064 9.6064 9.6803 9.6803 12.5138 12.5138 15.6870 15.6870 k = 0.0000 0.2116-0.0000 ( 4435 PWs) bands (ev): -67.4038 -67.4038 -67.4032 -67.4032 -34.3421 -34.3421 -34.3393 -34.3393 -34.0597 -34.0597 -34.0554 -34.0554 -34.0475 -34.0475 -34.0471 -34.0471 -0.4995 -0.4995 -0.4805 -0.4805 -0.4264 -0.4264 -0.3610 -0.3610 0.2508 0.2508 0.2809 0.2809 0.3000 0.3000 0.3702 0.3702 0.5135 0.5135 0.5797 0.5797 1.4516 1.4516 3.7005 3.7005 7.2374 7.2374 7.4022 7.4022 9.7122 9.7122 9.7909 9.7909 12.2762 12.2762 15.6157 15.6157 k = 0.0000 0.2015-0.0000 ( 4439 PWs) bands (ev): -67.4038 -67.4038 -67.4032 -67.4032 -34.3423 -34.3423 -34.3392 -34.3392 -34.0599 -34.0599 -34.0552 -34.0552 -34.0476 -34.0476 -34.0471 -34.0471 -0.5015 -0.5015 -0.4825 -0.4825 -0.4272 -0.4272 -0.3613 -0.3613 0.2514 0.2514 0.2830 0.2830 0.2982 0.2982 0.3708 0.3708 0.5139 0.5139 0.5834 0.5834 1.3849 1.3849 3.8350 3.8350 7.1805 7.1805 7.3578 7.3578 9.8224 9.8224 9.9051 9.9051 12.0415 12.0415 15.5473 15.5473 k = 0.0000 0.1914-0.0000 ( 4435 PWs) bands (ev): -67.4038 -67.4038 -67.4032 -67.4032 -34.3424 -34.3424 -34.3391 -34.3391 -34.0601 -34.0601 -34.0550 -34.0550 -34.0476 -34.0476 -34.0471 -34.0471 -0.5035 -0.5035 -0.4846 -0.4846 -0.4277 -0.4277 -0.3623 -0.3623 0.2522 0.2522 0.2847 0.2847 0.2972 0.2972 0.3710 0.3710 0.5147 0.5147 0.5870 0.5870 1.3215 1.3215 3.9717 3.9717 7.1251 7.1251 7.3146 7.3146 9.9366 9.9366 10.0224 10.0224 11.8104 11.8104 15.4820 15.4820 k = 0.0000 0.1813-0.0000 ( 4435 PWs) bands (ev): -67.4039 -67.4039 -67.4031 -67.4031 -34.3425 -34.3425 -34.3390 -34.3390 -34.0602 -34.0602 -34.0548 -34.0548 -34.0477 -34.0477 -34.0471 -34.0471 -0.5055 -0.5055 -0.4866 -0.4866 -0.4279 -0.4279 -0.3639 -0.3639 0.2533 0.2533 0.2858 0.2858 0.2971 0.2971 0.3709 0.3709 0.5160 0.5160 0.5902 0.5902 1.2614 1.2614 4.1107 4.1107 7.0714 7.0714 7.2728 7.2728 10.0541 10.0541 10.1415 10.1415 11.5838 11.5838 15.4196 15.4196 k = 0.0000 0.1713-0.0000 ( 4425 PWs) bands (ev): -67.4039 -67.4039 -67.4031 -67.4031 -34.3425 -34.3425 -34.3389 -34.3389 -34.0603 -34.0603 -34.0546 -34.0546 -34.0477 -34.0477 -34.0471 -34.0471 -0.5074 -0.5074 -0.4884 -0.4884 -0.4280 -0.4280 -0.3661 -0.3661 0.2547 0.2547 0.2861 0.2861 0.2980 0.2980 0.3703 0.3703 0.5176 0.5176 0.5932 0.5932 1.2046 1.2046 4.2516 4.2516 7.0197 7.0197 7.2328 7.2328 10.1744 10.1744 10.2609 10.2609 11.3638 11.3638 15.3603 15.3603 k = 0.0000 0.1612-0.0000 ( 4421 PWs) bands (ev): -67.4039 -67.4039 -67.4031 -67.4031 -34.3426 -34.3426 -34.3388 -34.3388 -34.0604 -34.0604 -34.0544 -34.0544 -34.0478 -34.0478 -34.0471 -34.0471 -0.5092 -0.5092 -0.4901 -0.4901 -0.4281 -0.4281 -0.3688 -0.3688 0.2562 0.2562 0.2859 0.2859 0.2996 0.2996 0.3695 0.3695 0.5196 0.5196 0.5958 0.5958 1.1510 1.1510 4.3944 4.3944 6.9702 6.9702 7.1946 7.1946 10.2958 10.2958 10.3766 10.3766 11.1553 11.1553 15.3038 15.3038 k = 0.0000 0.1511-0.0000 ( 4427 PWs) bands (ev): -67.4039 -67.4039 -67.4031 -67.4031 -34.3427 -34.3427 -34.3387 -34.3387 -34.0606 -34.0606 -34.0542 -34.0542 -34.0478 -34.0478 -34.0471 -34.0471 -0.5110 -0.5110 -0.4914 -0.4914 -0.4280 -0.4280 -0.3719 -0.3719 0.2579 0.2579 0.2854 0.2854 0.3016 0.3016 0.3684 0.3684 0.5218 0.5218 0.5981 0.5981 1.1008 1.1008 4.5388 4.5388 6.9230 6.9230 7.1585 7.1585 10.4105 10.4105 10.4800 10.4800 10.9748 10.9748 15.2502 15.2502 k = 0.0000 0.1410-0.0000 ( 4419 PWs) bands (ev): -67.4039 -67.4039 -67.4030 -67.4030 -34.3428 -34.3428 -34.3386 -34.3386 -34.0607 -34.0607 -34.0540 -34.0540 -34.0479 -34.0479 -34.0471 -34.0471 -0.5128 -0.5128 -0.4925 -0.4925 -0.4280 -0.4280 -0.3755 -0.3755 0.2598 0.2598 0.2848 0.2848 0.3039 0.3039 0.3671 0.3671 0.5244 0.5244 0.6000 0.6000 1.0540 1.0540 4.6846 4.6846 6.8783 6.8783 7.1245 7.1245 10.4533 10.4533 10.5796 10.5796 10.8788 10.8788 15.1990 15.1990 k = 0.0000 0.1310-0.0000 ( 4417 PWs) bands (ev): -67.4039 -67.4039 -67.4030 -67.4030 -34.3429 -34.3429 -34.3385 -34.3385 -34.0608 -34.0608 -34.0538 -34.0538 -34.0479 -34.0479 -34.0471 -34.0471 -0.5145 -0.5145 -0.4931 -0.4931 -0.4281 -0.4281 -0.3794 -0.3794 0.2619 0.2619 0.2842 0.2842 0.3061 0.3061 0.3657 0.3657 0.5273 0.5273 0.6016 0.6016 1.0104 1.0104 4.8314 4.8314 6.8363 6.8363 7.0928 7.0928 10.3455 10.3455 10.7029 10.7029 10.9180 10.9180 15.1495 15.1495 k = 0.0000 0.1209-0.0000 ( 4415 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3429 -34.3429 -34.3385 -34.3385 -34.0609 -34.0609 -34.0536 -34.0536 -34.0480 -34.0480 -34.0471 -34.0471 -0.5162 -0.5162 -0.4933 -0.4933 -0.4283 -0.4283 -0.3835 -0.3835 0.2640 0.2640 0.2838 0.2838 0.3082 0.3082 0.3641 0.3641 0.5304 0.5304 0.6027 0.6027 0.9702 0.9702 4.9788 4.9788 6.7969 6.7969 7.0634 7.0634 10.1707 10.1707 10.8343 10.8343 11.0244 11.0244 15.0995 15.0995 k = 0.0000 0.1108-0.0000 ( 4415 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3430 -34.3430 -34.3384 -34.3384 -34.0610 -34.0610 -34.0534 -34.0534 -34.0481 -34.0481 -34.0471 -34.0471 -0.5178 -0.5178 -0.4932 -0.4932 -0.4287 -0.4287 -0.3878 -0.3878 0.2663 0.2663 0.2834 0.2834 0.3101 0.3101 0.3624 0.3624 0.5337 0.5337 0.6034 0.6034 0.9334 0.9334 5.1263 5.1263 6.7604 6.7604 7.0364 7.0364 9.9799 9.9799 10.9687 10.9687 11.1518 11.1518 15.0409 15.0409 k = 0.0000 0.1007-0.0000 ( 4403 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3430 -34.3430 -34.3383 -34.3383 -34.0610 -34.0610 -34.0533 -34.0533 -34.0481 -34.0481 -34.0471 -34.0471 -0.5194 -0.5194 -0.4925 -0.4925 -0.4293 -0.4293 -0.3920 -0.3920 0.2686 0.2686 0.2831 0.2831 0.3118 0.3118 0.3608 0.3608 0.5372 0.5372 0.6036 0.6036 0.8999 0.8999 5.2733 5.2733 6.7268 6.7268 7.0119 7.0119 9.7873 9.7873 11.1044 11.1044 11.2876 11.2876 14.9449 14.9449 k = 0.0000 0.0907-0.0000 ( 4419 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3431 -34.3431 -34.3383 -34.3383 -34.0611 -34.0611 -34.0532 -34.0532 -34.0482 -34.0482 -34.0472 -34.0472 -0.5209 -0.5209 -0.4915 -0.4915 -0.4304 -0.4304 -0.3961 -0.3961 0.2709 0.2709 0.2829 0.2829 0.3132 0.3132 0.3592 0.3592 0.5408 0.5408 0.6034 0.6034 0.8697 0.8697 5.4188 5.4188 6.6960 6.6960 6.9901 6.9901 9.5975 9.5975 11.2406 11.2406 11.4274 11.4274 14.7946 14.7947 k = 0.0000 0.0806-0.0000 ( 4419 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3432 -34.3432 -34.3382 -34.3382 -34.0612 -34.0612 -34.0530 -34.0530 -34.0482 -34.0482 -34.0472 -34.0472 -0.5222 -0.5222 -0.4900 -0.4900 -0.4320 -0.4320 -0.3997 -0.3997 0.2731 0.2731 0.2828 0.2828 0.3142 0.3142 0.3578 0.3578 0.5446 0.5446 0.6027 0.6027 0.8429 0.8429 5.5616 5.5616 6.6682 6.6682 6.9710 6.9710 9.4134 9.4134 11.3761 11.3761 11.5693 11.5693 14.6235 14.6235 k = 0.0000 0.0705-0.0000 ( 4415 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3382 -34.3382 -34.0612 -34.0612 -34.0529 -34.0529 -34.0483 -34.0483 -34.0472 -34.0472 -0.5235 -0.5235 -0.4881 -0.4881 -0.4341 -0.4341 -0.4029 -0.4029 0.2753 0.2753 0.2828 0.2828 0.3148 0.3148 0.3565 0.3565 0.5484 0.5484 0.6015 0.6015 0.8194 0.8194 5.7004 5.7004 6.6435 6.6435 6.9547 6.9547 9.2372 9.2372 11.5097 11.5097 11.7119 11.7119 14.4500 14.4500 k = 0.0000 0.0604-0.0000 ( 4419 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0613 -34.0613 -34.0528 -34.0528 -34.0483 -34.0483 -34.0472 -34.0472 -0.5246 -0.5246 -0.4858 -0.4858 -0.4369 -0.4369 -0.4055 -0.4055 0.2773 0.2773 0.2831 0.2831 0.3151 0.3151 0.3554 0.3554 0.5523 0.5523 0.5999 0.5999 0.7992 0.7992 5.8329 5.8329 6.6217 6.6217 6.9413 6.9413 9.0711 9.0711 11.6395 11.6395 11.8533 11.8533 14.2802 14.2802 k = 0.0000 0.0504-0.0000 ( 4427 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3381 -34.3381 -34.0614 -34.0614 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5255 -0.5255 -0.4831 -0.4831 -0.4403 -0.4403 -0.4074 -0.4074 0.2789 0.2789 0.2836 0.2836 0.3150 0.3150 0.3545 0.3545 0.5562 0.5562 0.5979 0.5979 0.7823 0.7823 5.9566 5.9566 6.6029 6.6029 6.9310 6.9310 8.9181 8.9181 11.7632 11.7632 11.9915 11.9915 14.1174 14.1174 k = 0.0000 0.0403-0.0000 ( 4419 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3381 -34.3381 -34.0614 -34.0614 -34.0526 -34.0526 -34.0484 -34.0484 -34.0472 -34.0472 -0.5263 -0.5263 -0.4801 -0.4801 -0.4441 -0.4441 -0.4088 -0.4088 0.2799 0.2799 0.2846 0.2846 0.3146 0.3146 0.3539 0.3539 0.5600 0.5600 0.5956 0.5956 0.7686 0.7686 6.0679 6.0679 6.5870 6.5870 6.9239 6.9239 8.7819 8.7819 11.8773 11.8773 12.1233 12.1233 13.9654 13.9654 k = 0.0000 0.0302-0.0000 ( 4411 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5270 -0.5270 -0.4770 -0.4770 -0.4481 -0.4481 -0.4097 -0.4097 0.2804 0.2804 0.2857 0.2857 0.3141 0.3141 0.3534 0.3534 0.5636 0.5636 0.5931 0.5931 0.7581 0.7581 6.1626 6.1626 6.5740 6.5740 6.9198 6.9198 8.6670 8.6670 11.9771 11.9771 12.2436 12.2436 13.8294 13.8294 k = 0.0000 0.0201-0.0000 ( 4409 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5274 -0.5274 -0.4738 -0.4738 -0.4520 -0.4520 -0.4103 -0.4103 0.2807 0.2807 0.2868 0.2868 0.3136 0.3136 0.3532 0.3532 0.5668 0.5668 0.5906 0.5906 0.7506 0.7506 6.2357 6.2357 6.5639 6.5639 6.9181 6.9181 8.5788 8.5788 12.0563 12.0563 12.3442 12.3442 13.7175 13.7175 k = 0.0000 0.0101-0.0000 ( 4401 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0472 -34.0472 -0.5277 -0.5277 -0.4710 -0.4710 -0.4552 -0.4552 -0.4107 -0.4107 0.2808 0.2808 0.2876 0.2876 0.3132 0.3132 0.3530 0.3530 0.5692 0.5692 0.5886 0.5886 0.7461 0.7461 6.2823 6.2823 6.5573 6.5573 6.9179 6.9179 8.5230 8.5230 12.1079 12.1079 12.4134 12.4134 13.6416 13.6416 k = 0.0000 0.0000 0.0000 ( 4393 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0471 -34.0471 -0.5278 -0.5278 -0.4697 -0.4697 -0.4566 -0.4566 -0.4108 -0.4108 0.2808 0.2808 0.2879 0.2879 0.3130 0.3130 0.3529 0.3529 0.5702 0.5702 0.5878 0.5878 0.7447 0.7447 6.2984 6.2984 6.5549 6.5549 6.9180 6.9180 8.5038 8.5038 12.1260 12.1260 12.4385 12.4385 13.6142 13.6142 k = 0.0000 0.0000 0.0000 ( 4393 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0471 -34.0471 -0.5278 -0.5278 -0.4697 -0.4697 -0.4566 -0.4566 -0.4108 -0.4108 0.2808 0.2808 0.2879 0.2879 0.3130 0.3130 0.3529 0.3529 0.5702 0.5702 0.5878 0.5878 0.7447 0.7447 6.2984 6.2984 6.5549 6.5549 6.9180 6.9180 8.5038 8.5038 12.1260 12.1260 12.4385 12.4385 13.6142 13.6142 k = 0.0000 0.0000 0.0102 ( 4397 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0472 -34.0472 -0.5278 -0.5278 -0.4696 -0.4696 -0.4565 -0.4565 -0.4108 -0.4108 0.2808 0.2808 0.2878 0.2878 0.3130 0.3130 0.3529 0.3529 0.5700 0.5700 0.5877 0.5877 0.7463 0.7463 6.2217 6.2217 6.6280 6.6280 6.9215 6.9215 8.5096 8.5096 12.1070 12.1070 12.4181 12.4181 13.6356 13.6356 k = 0.0000 0.0000 0.0204 ( 4405 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0472 -34.0472 -0.5276 -0.5276 -0.4691 -0.4691 -0.4561 -0.4561 -0.4108 -0.4108 0.2808 0.2808 0.2878 0.2878 0.3130 0.3130 0.3529 0.3529 0.5693 0.5693 0.5876 0.5876 0.7511 0.7511 6.0808 6.0808 6.7552 6.7552 6.9342 6.9342 8.5271 8.5271 12.0531 12.0531 12.3605 12.3605 13.6965 13.6965 k = 0.0000 0.0000 0.0306 ( 4411 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0472 -34.0472 -0.5275 -0.5275 -0.4684 -0.4684 -0.4555 -0.4555 -0.4108 -0.4108 0.2807 0.2807 0.2876 0.2876 0.3130 0.3130 0.3528 0.3528 0.5682 0.5682 0.5873 0.5873 0.7592 0.7592 5.9266 5.9266 6.8668 6.8668 6.9746 6.9746 8.5569 8.5569 11.9711 11.9711 12.2748 12.2748 13.7896 13.7896 k = 0.0000 0.0000 0.0408 ( 4407 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0524 -34.0524 -34.0485 -34.0485 -34.0472 -34.0472 -0.5272 -0.5272 -0.4674 -0.4674 -0.4548 -0.4548 -0.4109 -0.4109 0.2806 0.2806 0.2875 0.2875 0.3130 0.3130 0.3527 0.3527 0.5667 0.5667 0.5870 0.5870 0.7705 0.7705 5.7685 5.7685 6.9177 6.9177 7.0773 7.0773 8.6000 8.6000 11.8689 11.8689 12.1699 12.1699 13.9070 13.9070 k = 0.0000 0.0000 0.0510 ( 4409 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5268 -0.5268 -0.4661 -0.4661 -0.4537 -0.4537 -0.4110 -0.4110 0.2805 0.2805 0.2873 0.2873 0.3130 0.3130 0.3526 0.3526 0.5649 0.5649 0.5865 0.5865 0.7851 0.7851 5.6093 5.6093 6.9437 6.9437 7.2025 7.2025 8.6572 8.6572 11.7528 11.7528 12.0530 12.0530 14.0419 14.0419 k = 0.0000 0.0000 0.0612 ( 4409 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5264 -0.5264 -0.4645 -0.4645 -0.4525 -0.4525 -0.4110 -0.4110 0.2803 0.2803 0.2871 0.2871 0.3130 0.3130 0.3525 0.3525 0.5626 0.5626 0.5859 0.5859 0.8029 0.8029 5.4502 5.4502 6.9679 6.9679 7.3250 7.3250 8.7297 8.7297 11.6275 11.6275 11.9294 11.9294 14.1896 14.1896 k = 0.0000 0.0000 0.0713 ( 4417 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5260 -0.5260 -0.4628 -0.4628 -0.4511 -0.4511 -0.4111 -0.4111 0.2801 0.2801 0.2868 0.2868 0.3130 0.3130 0.3523 0.3523 0.5600 0.5600 0.5852 0.5852 0.8240 0.8240 5.2918 5.2918 6.9942 6.9942 7.4391 7.4391 8.8179 8.8179 11.4964 11.4964 11.8023 11.8023 14.3465 14.3465 k = 0.0000 0.0000 0.0815 ( 4427 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5254 -0.5254 -0.4608 -0.4608 -0.4495 -0.4495 -0.4112 -0.4112 0.2798 0.2798 0.2865 0.2865 0.3130 0.3130 0.3521 0.3521 0.5572 0.5572 0.5845 0.5845 0.8483 0.8483 5.1347 5.1347 7.0235 7.0235 7.5432 7.5432 8.9219 8.9219 11.3618 11.3618 11.6744 11.6744 14.5101 14.5101 k = 0.0000 0.0000 0.0917 ( 4421 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5249 -0.5249 -0.4586 -0.4586 -0.4478 -0.4478 -0.4113 -0.4113 0.2794 0.2794 0.2863 0.2863 0.3129 0.3129 0.3518 0.3518 0.5540 0.5540 0.5836 0.5836 0.8759 0.8759 4.9792 4.9792 7.0562 7.0562 7.6371 7.6371 9.0406 9.0406 11.2251 11.2251 11.5476 11.5476 14.6777 14.6777 k = 0.0000 0.0000 0.1019 ( 4427 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5242 -0.5242 -0.4562 -0.4562 -0.4459 -0.4459 -0.4114 -0.4114 0.2790 0.2790 0.2861 0.2861 0.3129 0.3129 0.3515 0.3515 0.5507 0.5507 0.5827 0.5827 0.9067 0.9067 4.8256 4.8256 7.0922 7.0922 7.7216 7.7216 9.1721 9.1721 11.0875 11.0875 11.4236 11.4236 14.8443 14.8443 k = 0.0000 0.0000 0.1121 ( 4415 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5235 -0.5235 -0.4537 -0.4537 -0.4438 -0.4438 -0.4115 -0.4115 0.2785 0.2785 0.2858 0.2858 0.3128 0.3128 0.3512 0.3512 0.5471 0.5471 0.5817 0.5817 0.9408 0.9408 4.6740 4.6740 7.1318 7.1318 7.7980 7.7980 9.3135 9.3135 10.9499 10.9499 11.3045 11.3045 14.9922 14.9922 k = 0.0000 0.0000 0.1223 ( 4410 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5228 -0.5228 -0.4512 -0.4512 -0.4417 -0.4417 -0.4116 -0.4116 0.2779 0.2779 0.2857 0.2857 0.3127 0.3127 0.3509 0.3509 0.5435 0.5435 0.5806 0.5806 0.9781 0.9781 4.5246 4.5246 7.1748 7.1748 7.8678 7.8678 9.4611 9.4611 10.8128 10.8128 11.1927 11.1927 15.0834 15.0834 k = 0.0000 0.0000 0.1325 ( 4418 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3380 -34.3380 -34.0614 -34.0614 -34.0525 -34.0525 -34.0485 -34.0485 -34.0472 -34.0472 -0.5221 -0.5221 -0.4485 -0.4485 -0.4394 -0.4394 -0.4117 -0.4117 0.2772 0.2772 0.2855 0.2855 0.3125 0.3125 0.3505 0.3505 0.5397 0.5397 0.5795 0.5795 1.0186 1.0186 4.3776 4.3776 7.2211 7.2211 7.9327 7.9327 9.6097 9.6097 10.6768 10.6768 11.0920 11.0920 15.1411 15.1411 k = 0.0000 0.0000 0.1427 ( 4412 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3381 -34.3381 -34.0614 -34.0614 -34.0526 -34.0526 -34.0485 -34.0485 -34.0472 -34.0472 -0.5213 -0.5213 -0.4458 -0.4458 -0.4371 -0.4371 -0.4117 -0.4117 0.2765 0.2765 0.2854 0.2854 0.3124 0.3124 0.3501 0.3501 0.5359 0.5359 0.5783 0.5783 1.0622 1.0622 4.2331 4.2331 7.2708 7.2708 7.9940 7.9940 9.7514 9.7514 10.5423 10.5423 11.0086 11.0086 15.1925 15.1925 k = 0.0000 0.0000 0.1529 ( 4416 PWs) bands (ev): -67.4041 -67.4041 -67.4029 -67.4029 -34.3433 -34.3433 -34.3381 -34.3381 -34.0613 -34.0613 -34.0526 -34.0526 -34.0485 -34.0485 -34.0472 -34.0472 -0.5205 -0.5205 -0.4431 -0.4431 -0.4348 -0.4348 -0.4118 -0.4118 0.2757 0.2757 0.2853 0.2853 0.3122 0.3122 0.3497 0.3497 0.5321 0.5321 0.5771 0.5771 1.1091 1.1091 4.0913 4.0913 7.3237 7.3237 8.0530 8.0530 9.8745 9.8745 10.4099 10.4099 10.9532 10.9532 15.2440 15.2440 k = 0.0000 0.0000 0.1631 ( 4414 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3381 -34.3381 -34.0613 -34.0613 -34.0526 -34.0526 -34.0485 -34.0485 -34.0472 -34.0472 -0.5197 -0.5197 -0.4404 -0.4404 -0.4324 -0.4324 -0.4118 -0.4118 0.2749 0.2749 0.2852 0.2852 0.3119 0.3119 0.3493 0.3493 0.5284 0.5284 0.5759 0.5759 1.1590 1.1590 3.9522 3.9522 7.3798 7.3798 8.1107 8.1107 9.9616 9.9616 10.2809 10.2809 10.9409 10.9409 15.2973 15.2973 k = 0.0000 0.0000 0.1733 ( 4414 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3381 -34.3381 -34.0613 -34.0613 -34.0526 -34.0526 -34.0485 -34.0485 -34.0472 -34.0472 -0.5190 -0.5190 -0.4378 -0.4378 -0.4300 -0.4300 -0.4117 -0.4117 0.2741 0.2741 0.2851 0.2851 0.3117 0.3117 0.3488 0.3488 0.5247 0.5247 0.5747 0.5747 1.2120 1.2120 3.8160 3.8160 7.4390 7.4390 8.1679 8.1679 9.9950 9.9950 10.1585 10.1585 10.9858 10.9858 15.3529 15.3529 k = 0.0000 0.0000 0.1835 ( 4414 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3381 -34.3381 -34.0613 -34.0613 -34.0526 -34.0526 -34.0485 -34.0485 -34.0472 -34.0472 -0.5182 -0.5182 -0.4353 -0.4353 -0.4277 -0.4277 -0.4116 -0.4116 0.2732 0.2732 0.2851 0.2851 0.3113 0.3113 0.3484 0.3484 0.5212 0.5212 0.5735 0.5735 1.2680 1.2680 3.6827 3.6827 7.5011 7.5011 8.2251 8.2251 9.9613 9.9613 10.0554 10.0554 11.0879 11.0879 15.4111 15.4111 k = 0.0000 0.0000 0.1937 ( 4410 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0613 -34.0613 -34.0526 -34.0526 -34.0485 -34.0485 -34.0472 -34.0472 -0.5175 -0.5175 -0.4330 -0.4330 -0.4255 -0.4255 -0.4114 -0.4114 0.2723 0.2723 0.2851 0.2851 0.3110 0.3110 0.3480 0.3480 0.5178 0.5178 0.5723 0.5723 1.3269 1.3269 3.5526 3.5526 7.5659 7.5659 8.2829 8.2829 9.8662 9.8662 9.9793 9.9793 11.2336 11.2336 15.4718 15.4718 k = 0.0000 0.0000 0.2038 ( 4402 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0613 -34.0613 -34.0526 -34.0526 -34.0485 -34.0485 -34.0472 -34.0472 -0.5167 -0.5167 -0.4309 -0.4309 -0.4233 -0.4233 -0.4111 -0.4111 0.2715 0.2715 0.2851 0.2851 0.3106 0.3106 0.3475 0.3475 0.5146 0.5146 0.5712 0.5712 1.3886 1.3886 3.4258 3.4258 7.6334 7.6334 8.3417 8.3417 9.7515 9.7515 9.9032 9.9032 11.4076 11.4076 15.5350 15.5350 k = 0.0000 0.0000 0.2140 ( 4408 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0613 -34.0613 -34.0526 -34.0526 -34.0485 -34.0485 -34.0472 -34.0472 -0.5161 -0.5161 -0.4290 -0.4290 -0.4212 -0.4212 -0.4107 -0.4107 0.2707 0.2707 0.2851 0.2851 0.3102 0.3102 0.3471 0.3471 0.5117 0.5117 0.5701 0.5701 1.4529 1.4529 3.3025 3.3025 7.7031 7.7031 8.4018 8.4018 9.6346 9.6346 9.8201 9.8201 11.5993 11.5993 15.6003 15.6003 k = 0.0000 0.0000 0.2242 ( 4412 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0613 -34.0613 -34.0527 -34.0527 -34.0485 -34.0485 -34.0472 -34.0472 -0.5154 -0.5154 -0.4274 -0.4274 -0.4193 -0.4193 -0.4102 -0.4102 0.2700 0.2700 0.2851 0.2851 0.3098 0.3098 0.3467 0.3467 0.5090 0.5090 0.5692 0.5692 1.5196 1.5196 3.1829 3.1829 7.7748 7.7748 8.4634 8.4634 9.5194 9.5194 9.7323 9.7323 11.8019 11.8019 15.6662 15.6662 k = 0.0000 0.0000 0.2344 ( 4408 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0485 -34.0485 -34.0472 -34.0472 -0.5149 -0.5149 -0.4261 -0.4261 -0.4176 -0.4176 -0.4096 -0.4096 0.2693 0.2693 0.2851 0.2851 0.3094 0.3094 0.3464 0.3464 0.5066 0.5066 0.5682 0.5682 1.5883 1.5883 3.0674 3.0674 7.8481 7.8481 8.5268 8.5268 9.4072 9.4072 9.6424 9.6424 12.0114 12.0114 15.6401 15.6401 k = 0.0000 0.0000 0.2446 ( 4404 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5144 -0.5144 -0.4250 -0.4250 -0.4160 -0.4160 -0.4089 -0.4089 0.2686 0.2686 0.2851 0.2851 0.3091 0.3091 0.3461 0.3461 0.5044 0.5044 0.5674 0.5674 1.6586 1.6586 2.9567 2.9567 7.9222 7.9222 8.5921 8.5921 9.2992 9.2992 9.5520 9.5520 12.2244 12.2244 15.4141 15.4141 k = 0.0000 0.0000 0.2548 ( 4404 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5139 -0.5139 -0.4242 -0.4242 -0.4147 -0.4147 -0.4082 -0.4082 0.2681 0.2681 0.2851 0.2851 0.3087 0.3087 0.3458 0.3458 0.5026 0.5026 0.5667 0.5667 1.7294 1.7294 2.8515 2.8515 7.9960 7.9960 8.6593 8.6593 9.1965 9.1965 9.4622 9.4622 12.4378 12.4378 15.1825 15.1825 k = 0.0000 0.0000 0.2650 ( 4402 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5136 -0.5136 -0.4236 -0.4236 -0.4135 -0.4135 -0.4076 -0.4076 0.2676 0.2676 0.2851 0.2851 0.3084 0.3084 0.3456 0.3456 0.5011 0.5011 0.5661 0.5661 1.7994 1.7994 2.7533 2.7533 8.0679 8.0679 8.7285 8.7285 9.1010 9.1010 9.3737 9.3737 12.6475 12.6475 14.9562 14.9562 k = 0.0000 0.0000 0.2752 ( 4408 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5133 -0.5133 -0.4231 -0.4231 -0.4127 -0.4127 -0.4070 -0.4070 0.2673 0.2673 0.2851 0.2851 0.3082 0.3082 0.3454 0.3454 0.4999 0.4999 0.5656 0.5656 1.8660 1.8660 2.6649 2.6649 8.1349 8.1349 8.7995 8.7995 9.0156 9.0156 9.2872 9.2872 12.8470 12.8470 14.7430 14.7430 k = 0.0000 0.0000 0.2854 ( 4404 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5131 -0.5131 -0.4228 -0.4228 -0.4120 -0.4120 -0.4066 -0.4066 0.2670 0.2670 0.2852 0.2852 0.3080 0.3080 0.3452 0.3452 0.4991 0.4991 0.5653 0.5653 1.9246 1.9246 2.5907 2.5907 8.1922 8.1922 8.8717 8.8717 8.9455 8.9455 9.2034 9.2034 13.0243 13.0243 14.5557 14.5557 k = 0.0000 0.0000 0.2956 ( 4396 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5129 -0.5129 -0.4227 -0.4227 -0.4116 -0.4116 -0.4063 -0.4063 0.2668 0.2668 0.2852 0.2852 0.3079 0.3079 0.3452 0.3452 0.4986 0.4986 0.5651 0.5651 1.9670 1.9670 2.5389 2.5389 8.2326 8.2326 8.8957 8.8957 8.9451 8.9451 9.1248 9.1248 13.1561 13.1561 14.4178 14.4178 k = 0.0000 0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5129 -0.5129 -0.4226 -0.4226 -0.4115 -0.4115 -0.4062 -0.4062 0.2668 0.2668 0.2852 0.2852 0.3078 0.3078 0.3451 0.3451 0.4984 0.4984 0.5650 0.5650 1.9830 1.9830 2.5198 2.5198 8.2474 8.2474 8.8787 8.8787 8.9921 8.9921 9.0750 9.0750 13.2071 13.2071 14.3648 14.3648 k = 0.0000 0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5129 -0.5129 -0.4226 -0.4226 -0.4115 -0.4115 -0.4062 -0.4062 0.2668 0.2668 0.2852 0.2852 0.3078 0.3078 0.3451 0.3451 0.4984 0.4984 0.5650 0.5650 1.9830 1.9830 2.5198 2.5198 8.2474 8.2474 8.8787 8.8787 8.9921 8.9921 9.0750 9.0750 13.2071 13.2071 14.3648 14.3648 k = 0.0102-0.0000 0.3058 ( 4392 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5125 -0.5125 -0.4224 -0.4224 -0.4114 -0.4114 -0.4061 -0.4061 0.2664 0.2664 0.2854 0.2854 0.3078 0.3078 0.3450 0.3450 0.4982 0.4982 0.5646 0.5646 1.9845 1.9845 2.5216 2.5216 8.2494 8.2494 8.8802 8.8802 8.9937 8.9937 9.0763 9.0763 13.2088 13.2088 14.3652 14.3652 k = 0.0204-0.0000 0.3058 ( 4408 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0485 -34.0485 -34.0473 -34.0473 -0.5112 -0.5112 -0.4218 -0.4218 -0.4113 -0.4113 -0.4055 -0.4055 0.2654 0.2654 0.2859 0.2859 0.3076 0.3076 0.3447 0.3447 0.4975 0.4975 0.5635 0.5635 1.9890 1.9890 2.5270 2.5270 8.2552 8.2552 8.8848 8.8848 8.9986 8.9986 9.0801 9.0801 13.2139 13.2139 14.3662 14.3662 k = 0.0306-0.0000 0.3058 ( 4404 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3382 -34.3382 -34.0612 -34.0612 -34.0527 -34.0527 -34.0485 -34.0485 -34.0473 -34.0473 -0.5092 -0.5092 -0.4209 -0.4209 -0.4112 -0.4112 -0.4046 -0.4046 0.2639 0.2639 0.2865 0.2865 0.3073 0.3073 0.3442 0.3442 0.4964 0.4964 0.5617 0.5617 1.9965 1.9965 2.5359 2.5359 8.2651 8.2651 8.8924 8.8924 9.0068 9.0068 9.0865 9.0865 13.2224 13.2224 14.3678 14.3678 k = 0.0408-0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3382 -34.3382 -34.0612 -34.0612 -34.0527 -34.0527 -34.0486 -34.0486 -34.0474 -34.0474 -0.5063 -0.5063 -0.4198 -0.4198 -0.4110 -0.4110 -0.4032 -0.4032 0.2620 0.2620 0.2871 0.2871 0.3071 0.3071 0.3435 0.3435 0.4948 0.4948 0.5592 0.5592 2.0070 2.0070 2.5483 2.5483 8.2788 8.2788 8.9031 8.9031 9.0182 9.0182 9.0955 9.0955 13.2343 13.2343 14.3694 14.3694 k = 0.0510-0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3432 -34.3432 -34.3382 -34.3382 -34.0612 -34.0612 -34.0527 -34.0527 -34.0486 -34.0486 -34.0474 -34.0474 -0.5028 -0.5028 -0.4186 -0.4186 -0.4107 -0.4107 -0.4013 -0.4013 0.2599 0.2599 0.2874 0.2874 0.3071 0.3071 0.3427 0.3427 0.4929 0.4929 0.5560 0.5560 2.0206 2.0206 2.5643 2.5643 8.2964 8.2964 8.9169 8.9169 9.0329 9.0329 9.1071 9.1071 13.2494 13.2494 14.3703 14.3703 k = 0.0612-0.0000 0.3058 ( 4404 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3383 -34.3383 -34.0611 -34.0611 -34.0527 -34.0527 -34.0488 -34.0488 -34.0476 -34.0476 -0.4985 -0.4985 -0.4173 -0.4173 -0.4103 -0.4103 -0.3988 -0.3988 0.2576 0.2576 0.2873 0.2873 0.3072 0.3072 0.3416 0.3416 0.4907 0.4907 0.5522 0.5522 2.0371 2.0371 2.5838 2.5838 8.3178 8.3178 8.9336 8.9336 9.0507 9.0507 9.1212 9.1212 13.2679 13.2679 14.3689 14.3689 k = 0.0714-0.0000 0.3058 ( 4410 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3433 -34.3433 -34.3383 -34.3383 -34.0611 -34.0611 -34.0526 -34.0526 -34.0489 -34.0489 -34.0477 -34.0477 -0.4936 -0.4936 -0.4161 -0.4161 -0.4099 -0.4099 -0.3958 -0.3958 0.2551 0.2551 0.2868 0.2868 0.3077 0.3077 0.3405 0.3405 0.4882 0.4882 0.5477 0.5477 2.0568 2.0568 2.6067 2.6067 8.3431 8.3431 8.9534 8.9534 9.0718 9.0718 9.1379 9.1379 13.2895 13.2895 14.3623 14.3623 k = 0.0816-0.0000 0.3058 ( 4414 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3434 -34.3434 -34.3384 -34.3384 -34.0611 -34.0611 -34.0526 -34.0526 -34.0491 -34.0491 -34.0478 -34.0478 -0.4881 -0.4881 -0.4150 -0.4150 -0.4094 -0.4094 -0.3923 -0.3923 0.2526 0.2526 0.2858 0.2858 0.3084 0.3084 0.3393 0.3393 0.4855 0.4855 0.5428 0.5428 2.0795 2.0795 2.6331 2.6331 8.3722 8.3722 8.9762 8.9762 9.0960 9.0960 9.1572 9.1572 13.3141 13.3141 14.3443 14.3443 k = 0.0918-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3435 -34.3435 -34.3385 -34.3385 -34.0611 -34.0611 -34.0526 -34.0526 -34.0492 -34.0492 -34.0480 -34.0480 -0.4822 -0.4822 -0.4140 -0.4140 -0.4088 -0.4088 -0.3884 -0.3884 0.2501 0.2501 0.2844 0.2844 0.3093 0.3093 0.3381 0.3381 0.4826 0.4826 0.5374 0.5374 2.1054 2.1054 2.6629 2.6629 8.4051 8.4051 9.0020 9.0020 9.1233 9.1233 9.1790 9.1790 13.3415 13.3415 14.3019 14.3019 k = 0.1020-0.0000 0.3058 ( 4422 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3435 -34.3435 -34.3385 -34.3385 -34.0611 -34.0611 -34.0526 -34.0526 -34.0494 -34.0494 -34.0482 -34.0482 -0.4759 -0.4759 -0.4130 -0.4130 -0.4080 -0.4080 -0.3843 -0.3843 0.2475 0.2475 0.2827 0.2827 0.3103 0.3103 0.3370 0.3370 0.4797 0.4797 0.5315 0.5315 2.1344 2.1344 2.6960 2.6960 8.4416 8.4416 9.0308 9.0308 9.1536 9.1536 9.2034 9.2034 13.3712 13.3712 14.2145 14.2145 k = 0.1122-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3436 -34.3436 -34.3386 -34.3386 -34.0611 -34.0611 -34.0525 -34.0525 -34.0496 -34.0496 -34.0484 -34.0484 -0.4693 -0.4693 -0.4122 -0.4122 -0.4072 -0.4072 -0.3800 -0.3800 0.2448 0.2448 0.2808 0.2808 0.3111 0.3111 0.3362 0.3362 0.4767 0.4767 0.5253 0.5253 2.1665 2.1665 2.7325 2.7325 8.4818 8.4818 9.0626 9.0626 9.1870 9.1870 9.2304 9.2304 13.4021 13.4021 14.0720 14.0720 k = 0.1224-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3437 -34.3437 -34.3387 -34.3387 -34.0611 -34.0611 -34.0525 -34.0525 -34.0498 -34.0498 -34.0486 -34.0486 -0.4626 -0.4626 -0.4113 -0.4113 -0.4062 -0.4062 -0.3757 -0.3757 0.2422 0.2422 0.2788 0.2788 0.3118 0.3118 0.3359 0.3359 0.4738 0.4738 0.5189 0.5189 2.2018 2.2018 2.7722 2.7722 8.5257 8.5257 9.0974 9.0974 9.2233 9.2233 9.2600 9.2600 13.4308 13.4308 13.8900 13.8900 k = 0.1327-0.0000 0.3058 ( 4424 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3438 -34.3438 -34.3388 -34.3388 -34.0610 -34.0610 -34.0525 -34.0525 -34.0500 -34.0500 -34.0488 -34.0488 -0.4558 -0.4558 -0.4106 -0.4106 -0.4050 -0.4050 -0.3716 -0.3716 0.2394 0.2394 0.2766 0.2766 0.3123 0.3123 0.3362 0.3362 0.4709 0.4709 0.5123 0.5123 2.2404 2.2404 2.8153 2.8153 8.5730 8.5730 9.1351 9.1351 9.2622 9.2622 9.2923 9.2923 13.4431 13.4431 13.6892 13.6892 k = 0.1429-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3439 -34.3439 -34.3388 -34.3388 -34.0610 -34.0610 -34.0525 -34.0525 -34.0502 -34.0502 -34.0490 -34.0490 -0.4493 -0.4493 -0.4099 -0.4099 -0.4036 -0.4036 -0.3677 -0.3677 0.2366 0.2366 0.2741 0.2741 0.3130 0.3130 0.3371 0.3371 0.4681 0.4681 0.5056 0.5056 2.2823 2.2823 2.8616 2.8616 8.6239 8.6239 9.1757 9.1757 9.3037 9.3037 9.3274 9.3274 13.3716 13.3716 13.4779 13.4779 k = 0.1531-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4039 -67.4039 -67.4028 -67.4028 -34.3440 -34.3440 -34.3389 -34.3389 -34.0610 -34.0610 -34.0524 -34.0524 -34.0505 -34.0505 -34.0492 -34.0492 -0.4430 -0.4430 -0.4093 -0.4093 -0.4018 -0.4018 -0.3642 -0.3642 0.2338 0.2338 0.2711 0.2711 0.3142 0.3142 0.3386 0.3386 0.4654 0.4654 0.4990 0.4990 2.3274 2.3274 2.9111 2.9111 8.6781 8.6781 9.2192 9.2192 9.3471 9.3471 9.3657 9.3657 13.1833 13.1833 13.2577 13.2577 k = 0.1633-0.0000 0.3058 ( 4414 PWs) bands (ev): -67.4038 -67.4038 -67.4027 -67.4027 -34.3440 -34.3440 -34.3390 -34.3390 -34.0610 -34.0610 -34.0524 -34.0524 -34.0507 -34.0507 -34.0495 -34.0495 -0.4373 -0.4373 -0.4087 -0.4087 -0.3996 -0.3996 -0.3612 -0.3612 0.2309 0.2309 0.2675 0.2675 0.3161 0.3161 0.3406 0.3406 0.4627 0.4627 0.4927 0.4927 2.3759 2.3759 2.9638 2.9638 8.7357 8.7357 9.2656 9.2656 9.3915 9.3915 9.4080 9.4080 12.9605 12.9605 13.0359 13.0359 k = 0.1735-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4038 -67.4038 -67.4027 -67.4027 -34.3441 -34.3441 -34.3392 -34.3392 -34.0610 -34.0610 -34.0524 -34.0524 -34.0510 -34.0510 -34.0498 -34.0498 -0.4323 -0.4323 -0.4082 -0.4082 -0.3970 -0.3970 -0.3587 -0.3587 0.2279 0.2279 0.2633 0.2633 0.3190 0.3190 0.3431 0.3431 0.4599 0.4599 0.4868 0.4868 2.4277 2.4277 3.0196 3.0196 8.7966 8.7966 9.3149 9.3149 9.4359 9.4359 9.4550 9.4550 12.7299 12.7299 12.8148 12.8148 k = 0.1837-0.0000 0.3058 ( 4422 PWs) bands (ev): -67.4038 -67.4038 -67.4027 -67.4027 -34.3443 -34.3443 -34.3393 -34.3393 -34.0609 -34.0609 -34.0524 -34.0524 -34.0513 -34.0513 -34.0500 -34.0500 -0.4280 -0.4280 -0.4078 -0.4078 -0.3939 -0.3939 -0.3569 -0.3569 0.2249 0.2249 0.2584 0.2584 0.3231 0.3231 0.3460 0.3460 0.4568 0.4568 0.4816 0.4816 2.4830 2.4830 3.0786 3.0786 8.8606 8.8606 9.3670 9.3670 9.4810 9.4810 9.5057 9.5057 12.4977 12.4977 12.5951 12.5951 k = 0.1939-0.0000 0.3058 ( 4414 PWs) bands (ev): -67.4038 -67.4038 -67.4027 -67.4027 -34.3444 -34.3444 -34.3394 -34.3394 -34.0609 -34.0609 -34.0523 -34.0523 -34.0515 -34.0515 -34.0503 -34.0503 -0.4246 -0.4246 -0.4074 -0.4074 -0.3905 -0.3905 -0.3557 -0.3557 0.2217 0.2217 0.2530 0.2530 0.3280 0.3280 0.3494 0.3494 0.4533 0.4533 0.4773 0.4773 2.5417 2.5417 3.1408 3.1408 8.9278 8.9278 9.4219 9.4219 9.5272 9.5272 9.5593 9.5593 12.2663 12.2663 12.3773 12.3773 k = 0.2041-0.0000 0.3058 ( 4410 PWs) bands (ev): -67.4037 -67.4037 -67.4027 -67.4027 -34.3445 -34.3445 -34.3395 -34.3395 -34.0609 -34.0609 -34.0523 -34.0523 -34.0518 -34.0518 -34.0505 -34.0505 -0.4218 -0.4218 -0.4072 -0.4072 -0.3869 -0.3869 -0.3552 -0.3552 0.2185 0.2185 0.2473 0.2473 0.3335 0.3335 0.3537 0.3537 0.4494 0.4494 0.4741 0.4741 2.6039 2.6039 3.2060 3.2060 8.9980 8.9980 9.4795 9.4795 9.5747 9.5747 9.6149 9.6149 12.0369 12.0369 12.1619 12.1619 k = 0.2143-0.0000 0.3058 ( 4412 PWs) bands (ev): -67.4037 -67.4037 -67.4026 -67.4026 -34.3446 -34.3446 -34.3396 -34.3396 -34.0609 -34.0609 -34.0523 -34.0523 -34.0521 -34.0521 -34.0508 -34.0508 -0.4197 -0.4197 -0.4070 -0.4070 -0.3834 -0.3834 -0.3554 -0.3554 0.2149 0.2149 0.2416 0.2416 0.3387 0.3387 0.3593 0.3593 0.4453 0.4453 0.4720 0.4720 2.6696 2.6696 3.2744 3.2744 9.0710 9.0710 9.5398 9.5398 9.6234 9.6234 9.6716 9.6716 11.8105 11.8105 11.9496 11.9496 k = 0.2245-0.0000 0.3058 ( 4412 PWs) bands (ev): -67.4037 -67.4037 -67.4026 -67.4026 -34.3447 -34.3447 -34.3397 -34.3397 -34.0608 -34.0608 -34.0524 -34.0524 -34.0522 -34.0522 -34.0511 -34.0511 -0.4182 -0.4182 -0.4069 -0.4069 -0.3802 -0.3802 -0.3561 -0.3561 0.2108 0.2108 0.2363 0.2363 0.3430 0.3430 0.3668 0.3668 0.4413 0.4413 0.4706 0.4706 2.7389 2.7389 3.3458 3.3458 9.1469 9.1469 9.6026 9.6026 9.6728 9.6728 9.7285 9.7285 11.5886 11.5886 11.7411 11.7411 k = 0.2347-0.0000 0.3058 ( 4416 PWs) bands (ev): -67.4037 -67.4037 -67.4026 -67.4026 -34.3448 -34.3448 -34.3399 -34.3399 -34.0608 -34.0608 -34.0527 -34.0527 -34.0523 -34.0523 -34.0513 -34.0513 -0.4170 -0.4170 -0.4069 -0.4069 -0.3775 -0.3775 -0.3572 -0.3572 0.2060 0.2060 0.2316 0.2316 0.3462 0.3462 0.3762 0.3762 0.4376 0.4376 0.4700 0.4700 2.8117 2.8117 3.4203 3.4203 9.2253 9.2253 9.6676 9.6676 9.7221 9.7221 9.7842 9.7842 11.3727 11.3727 11.5376 11.5376 k = 0.2449-0.0000 0.3058 ( 4424 PWs) bands (ev): -67.4036 -67.4036 -67.4026 -67.4026 -34.3449 -34.3449 -34.3400 -34.3400 -34.0608 -34.0608 -34.0530 -34.0530 -34.0523 -34.0523 -34.0516 -34.0516 -0.4161 -0.4161 -0.4070 -0.4070 -0.3758 -0.3758 -0.3586 -0.3586 0.2004 0.2004 0.2278 0.2278 0.3483 0.3483 0.3869 0.3869 0.4347 0.4347 0.4698 0.4698 2.8881 2.8881 3.4979 3.4979 9.3062 9.3062 9.7336 9.7336 9.7705 9.7705 9.8363 9.8363 11.1660 11.1660 11.3407 11.3407 k = 0.2551-0.0000 0.3058 ( 4420 PWs) bands (ev): -67.4036 -67.4036 -67.4025 -67.4025 -34.3451 -34.3451 -34.3401 -34.3401 -34.0608 -34.0608 -34.0532 -34.0532 -34.0524 -34.0524 -34.0517 -34.0517 -0.4156 -0.4156 -0.4071 -0.4071 -0.3753 -0.3753 -0.3597 -0.3597 0.1941 0.1941 0.2247 0.2247 0.3495 0.3495 0.3986 0.3986 0.4328 0.4328 0.4701 0.4701 2.9680 2.9680 3.5786 3.5786 9.3893 9.3893 9.7956 9.7956 9.8188 9.8188 9.8815 9.8815 10.9737 10.9737 11.1533 11.1533 k = 0.2653-0.0000 0.3058 ( 4408 PWs) bands (ev): -67.4036 -67.4036 -67.4025 -67.4025 -34.3451 -34.3451 -34.3402 -34.3402 -34.0607 -34.0607 -34.0535 -34.0535 -34.0526 -34.0526 -34.0518 -34.0518 -0.4153 -0.4153 -0.4074 -0.4074 -0.3764 -0.3764 -0.3602 -0.3602 0.1873 0.1873 0.2224 0.2224 0.3500 0.3500 0.4103 0.4103 0.4326 0.4326 0.4709 0.4709 3.0516 3.0516 3.6624 3.6624 9.4740 9.4740 9.8380 9.8380 9.8670 9.8670 9.9213 9.9213 10.8055 10.8055 10.9800 10.9800 k = 0.2755-0.0000 0.3058 ( 4416 PWs) bands (ev): -67.4036 -67.4036 -67.4025 -67.4025 -34.3453 -34.3453 -34.3404 -34.3404 -34.0608 -34.0608 -34.0538 -34.0538 -34.0529 -34.0529 -34.0518 -34.0518 -0.4153 -0.4153 -0.4077 -0.4077 -0.3788 -0.3788 -0.3604 -0.3604 0.1801 0.1801 0.2205 0.2205 0.3499 0.3499 0.4199 0.4199 0.4359 0.4359 0.4722 0.4722 3.1388 3.1388 3.7492 3.7492 9.5589 9.5589 9.8532 9.8532 9.8761 9.8761 9.9796 9.9796 10.6777 10.6777 10.8287 10.8287 k = 0.2857-0.0000 0.3058 ( 4412 PWs) bands (ev): -67.4035 -67.4035 -67.4025 -67.4025 -34.3454 -34.3454 -34.3405 -34.3405 -34.0607 -34.0607 -34.0540 -34.0540 -34.0531 -34.0531 -34.0518 -34.0518 -0.4156 -0.4156 -0.4081 -0.4081 -0.3822 -0.3822 -0.3604 -0.3604 0.1728 0.1728 0.2188 0.2188 0.3493 0.3493 0.4249 0.4249 0.4444 0.4444 0.4745 0.4745 3.2296 3.2296 3.8390 3.8390 9.6390 9.6390 9.8052 9.8052 9.8605 9.8605 10.0542 10.0542 10.6071 10.6071 10.7114 10.7114 k = 0.2959-0.0000 0.3058 ( 4412 PWs) bands (ev): -67.4035 -67.4035 -67.4024 -67.4024 -34.3455 -34.3455 -34.3406 -34.3406 -34.0607 -34.0607 -34.0543 -34.0543 -34.0534 -34.0534 -34.0518 -34.0518 -0.4163 -0.4163 -0.4085 -0.4085 -0.3861 -0.3861 -0.3605 -0.3605 0.1655 0.1655 0.2173 0.2173 0.3483 0.3483 0.4277 0.4277 0.4547 0.4547 0.4787 0.4787 3.3240 3.3240 3.9319 3.9319 9.6598 9.6598 9.7265 9.7265 9.8396 9.8396 10.1348 10.1348 10.5945 10.5945 10.6402 10.6402 k = 0.3061-0.0000 0.3058 ( 4402 PWs) bands (ev): -67.4035 -67.4035 -67.4024 -67.4024 -34.3456 -34.3456 -34.3407 -34.3407 -34.0607 -34.0607 -34.0545 -34.0545 -34.0536 -34.0536 -34.0517 -34.0517 -0.4174 -0.4174 -0.4090 -0.4090 -0.3903 -0.3903 -0.3608 -0.3608 0.1583 0.1583 0.2159 0.2159 0.3471 0.3471 0.4303 0.4303 0.4624 0.4624 0.4866 0.4866 3.4220 3.4220 4.0277 4.0277 9.5202 9.5202 9.6666 9.6666 9.8801 9.8801 10.2192 10.2192 10.6174 10.6174 10.6246 10.6246 k = 0.3163-0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4035 -67.4035 -67.4024 -67.4024 -34.3457 -34.3457 -34.3408 -34.3408 -34.0607 -34.0607 -34.0547 -34.0547 -34.0539 -34.0539 -34.0517 -34.0517 -0.4189 -0.4189 -0.4096 -0.4096 -0.3944 -0.3944 -0.3614 -0.3614 0.1512 0.1512 0.2144 0.2144 0.3460 0.3460 0.4331 0.4331 0.4668 0.4668 0.4984 0.4984 3.5236 3.5236 4.1266 4.1266 9.3448 9.3448 9.5447 9.5447 9.9645 9.9645 10.3067 10.3067 10.6358 10.6358 10.6787 10.6787 k = 0.3265-0.0000 0.3058 ( 4404 PWs) bands (ev): -67.4034 -67.4034 -67.4023 -67.4023 -34.3458 -34.3458 -34.3410 -34.3410 -34.0607 -34.0607 -34.0550 -34.0550 -34.0542 -34.0542 -34.0517 -34.0517 -0.4211 -0.4211 -0.4104 -0.4104 -0.3982 -0.3982 -0.3622 -0.3622 0.1444 0.1444 0.2129 0.2129 0.3448 0.3448 0.4363 0.4363 0.4694 0.4694 0.5120 0.5120 3.6287 3.6287 4.2284 4.2284 9.1571 9.1571 9.3945 9.3945 10.0585 10.0585 10.3972 10.3972 10.6809 10.6809 10.7485 10.7485 k = 0.3367-0.0000 0.3058 ( 4406 PWs) bands (ev): -67.4034 -67.4034 -67.4023 -67.4023 -34.3459 -34.3459 -34.3411 -34.3411 -34.0607 -34.0607 -34.0552 -34.0552 -34.0544 -34.0544 -34.0517 -34.0517 -0.4240 -0.4240 -0.4112 -0.4112 -0.4014 -0.4014 -0.3633 -0.3633 0.1379 0.1379 0.2112 0.2112 0.3439 0.3439 0.4397 0.4397 0.4714 0.4714 0.5263 0.5263 3.7374 3.7374 4.3332 4.3332 8.9639 8.9639 9.2302 9.2302 10.1563 10.1563 10.4903 10.4903 10.7438 10.7438 10.8278 10.8278 k = 0.3469-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4034 -67.4034 -67.4023 -67.4023 -34.3460 -34.3460 -34.3412 -34.3412 -34.0607 -34.0607 -34.0554 -34.0554 -34.0547 -34.0547 -34.0516 -34.0516 -0.4275 -0.4275 -0.4122 -0.4122 -0.4040 -0.4040 -0.3646 -0.3646 0.1317 0.1317 0.2094 0.2094 0.3431 0.3431 0.4432 0.4432 0.4729 0.4729 0.5407 0.5407 3.8495 3.8495 4.4408 4.4408 8.7683 8.7683 9.0586 9.0586 10.2560 10.2560 10.5862 10.5862 10.8188 10.8188 10.9137 10.9137 k = 0.3571-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4034 -67.4034 -67.4023 -67.4023 -34.3461 -34.3461 -34.3413 -34.3413 -34.0607 -34.0607 -34.0556 -34.0556 -34.0550 -34.0550 -34.0516 -34.0516 -0.4315 -0.4315 -0.4134 -0.4134 -0.4060 -0.4060 -0.3661 -0.3661 0.1259 0.1259 0.2075 0.2075 0.3426 0.3426 0.4469 0.4469 0.4743 0.4743 0.5548 0.5548 3.9651 3.9651 4.5512 4.5512 8.5722 8.5722 8.8835 8.8835 10.3569 10.3569 10.6848 10.6848 10.9026 10.9026 11.0044 11.0044 k = 0.3673-0.0000 0.3058 ( 4414 PWs) bands (ev): -67.4034 -67.4034 -67.4023 -67.4023 -34.3462 -34.3462 -34.3414 -34.3414 -34.0607 -34.0607 -34.0557 -34.0557 -34.0552 -34.0552 -34.0516 -34.0516 -0.4359 -0.4359 -0.4146 -0.4146 -0.4076 -0.4076 -0.3676 -0.3676 0.1204 0.1204 0.2055 0.2055 0.3423 0.3423 0.4506 0.4506 0.4756 0.4756 0.5686 0.5686 4.0840 4.0840 4.6644 4.6644 8.3767 8.3767 8.7071 8.7071 10.4585 10.4585 10.7860 10.7860 10.9934 10.9934 11.0986 11.0986 k = 0.3776-0.0000 0.3058 ( 4418 PWs) bands (ev): -67.4033 -67.4033 -67.4023 -67.4023 -34.3463 -34.3463 -34.3415 -34.3415 -34.0608 -34.0608 -34.0559 -34.0559 -34.0554 -34.0554 -34.0516 -34.0516 -0.4405 -0.4405 -0.4158 -0.4158 -0.4089 -0.4089 -0.3692 -0.3692 0.1153 0.1153 0.2035 0.2035 0.3422 0.3422 0.4544 0.4544 0.4767 0.4767 0.5817 0.5817 4.2063 4.2063 4.7803 4.7803 8.1825 8.1825 8.5308 8.5308 10.5603 10.5603 10.8898 10.8898 11.0900 11.0900 11.1954 11.1954 k = 0.3878-0.0000 0.3058 ( 4422 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3464 -34.3464 -34.3416 -34.3416 -34.0608 -34.0608 -34.0561 -34.0561 -34.0556 -34.0556 -34.0515 -34.0515 -0.4450 -0.4450 -0.4170 -0.4170 -0.4100 -0.4100 -0.3707 -0.3707 0.1106 0.1106 0.2014 0.2014 0.3423 0.3423 0.4580 0.4580 0.4778 0.4778 0.5942 0.5942 4.3317 4.3317 4.8987 4.8987 7.9902 7.9902 8.3554 8.3554 10.6615 10.6615 10.9962 10.9962 11.1915 11.1915 11.2941 11.2941 k = 0.3980-0.0000 0.3058 ( 4414 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3464 -34.3464 -34.3417 -34.3417 -34.0608 -34.0608 -34.0562 -34.0562 -34.0557 -34.0557 -34.0515 -34.0515 -0.4494 -0.4494 -0.4182 -0.4182 -0.4110 -0.4110 -0.3722 -0.3722 0.1063 0.1063 0.1994 0.1994 0.3425 0.3425 0.4615 0.4615 0.4788 0.4788 0.6059 0.6059 4.4602 4.4602 5.0195 5.0195 7.8001 7.8001 8.1817 8.1817 10.7617 10.7617 11.1052 11.1052 11.2974 11.2974 11.3941 11.3941 k = 0.4082-0.0000 0.3058 ( 4408 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3465 -34.3465 -34.3417 -34.3417 -34.0608 -34.0608 -34.0563 -34.0563 -34.0559 -34.0559 -34.0515 -34.0515 -0.4536 -0.4536 -0.4193 -0.4193 -0.4120 -0.4120 -0.3737 -0.3737 0.1024 0.1024 0.1974 0.1974 0.3428 0.3428 0.4648 0.4648 0.4797 0.4797 0.6168 0.6168 4.5916 4.5916 5.1425 5.1425 7.6126 7.6126 8.0103 8.0103 10.8598 10.8598 11.2167 11.2167 11.4074 11.4074 11.4945 11.4945 k = 0.4184-0.0000 0.3058 ( 4404 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3466 -34.3466 -34.3418 -34.3418 -34.0609 -34.0609 -34.0564 -34.0564 -34.0560 -34.0560 -34.0514 -34.0514 -0.4575 -0.4575 -0.4204 -0.4204 -0.4129 -0.4129 -0.3750 -0.3750 0.0989 0.0989 0.1955 0.1955 0.3432 0.3432 0.4679 0.4679 0.4806 0.4806 0.6267 0.6267 4.7258 4.7258 5.2673 5.2673 7.4281 7.4281 7.8416 7.8416 10.9549 10.9549 11.3306 11.3306 11.5208 11.5208 11.5948 11.5948 k = 0.4286-0.0000 0.3058 ( 4388 PWs) bands (ev): -67.4033 -67.4033 -67.4022 -67.4022 -34.3466 -34.3466 -34.3418 -34.3418 -34.0609 -34.0609 -34.0565 -34.0565 -34.0561 -34.0561 -34.0514 -34.0514 -0.4610 -0.4610 -0.4213 -0.4213 -0.4137 -0.4137 -0.3762 -0.3762 0.0959 0.0959 0.1938 0.1938 0.3437 0.3437 0.4708 0.4708 0.4813 0.4813 0.6356 0.6356 4.8623 4.8623 5.3935 5.3935 7.2470 7.2470 7.6764 7.6764 11.0459 11.0459 11.4470 11.4470 11.6367 11.6367 11.6944 11.6944 k = 0.4388-0.0000 0.3058 ( 4388 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3466 -34.3466 -34.3419 -34.3419 -34.0609 -34.0609 -34.0566 -34.0566 -34.0563 -34.0563 -34.0514 -34.0514 -0.4642 -0.4642 -0.4221 -0.4221 -0.4145 -0.4145 -0.3773 -0.3773 0.0933 0.0933 0.1922 0.1922 0.3441 0.3441 0.4733 0.4733 0.4819 0.4819 0.6434 0.6434 5.0006 5.0006 5.5204 5.5204 7.0700 7.0700 7.5155 7.5155 11.1312 11.1312 11.5656 11.5656 11.7519 11.7519 11.7950 11.7950 k = 0.4490-0.0000 0.3058 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3467 -34.3467 -34.3419 -34.3419 -34.0609 -34.0609 -34.0566 -34.0566 -34.0564 -34.0564 -34.0514 -34.0514 -0.4669 -0.4669 -0.4229 -0.4229 -0.4152 -0.4152 -0.3782 -0.3782 0.0910 0.0910 0.1908 0.1908 0.3445 0.3445 0.4756 0.4756 0.4825 0.4825 0.6501 0.6501 5.1399 5.1399 5.6467 5.6467 6.8979 6.8979 7.3601 7.3601 11.2091 11.2091 11.6863 11.6863 11.8560 11.8560 11.9047 11.9047 k = 0.4592-0.0000 0.3058 ( 4398 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3467 -34.3467 -34.3420 -34.3420 -34.0609 -34.0609 -34.0567 -34.0567 -34.0565 -34.0565 -34.0514 -34.0514 -0.4692 -0.4692 -0.4235 -0.4235 -0.4159 -0.4159 -0.3789 -0.3789 0.0892 0.0892 0.1896 0.1896 0.3449 0.3449 0.4774 0.4774 0.4829 0.4829 0.6556 0.6556 5.2787 5.2787 5.7704 5.7704 6.7324 6.7324 7.2123 7.2123 11.2774 11.2774 11.8086 11.8086 11.9422 11.9422 12.0275 12.0275 k = 0.4694-0.0000 0.3058 ( 4406 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0565 -34.0565 -34.0514 -34.0514 -0.4710 -0.4710 -0.4240 -0.4240 -0.4164 -0.4164 -0.3795 -0.3795 0.0878 0.0878 0.1887 0.1887 0.3451 0.3451 0.4789 0.4789 0.4832 0.4832 0.6600 0.6600 5.4140 5.4140 5.8876 5.8876 6.5768 6.5768 7.0760 7.0760 11.3340 11.3340 11.9316 11.9316 12.0131 12.0131 12.1576 12.1576 k = 0.4796-0.0000 0.3058 ( 4404 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4723 -0.4723 -0.4243 -0.4243 -0.4167 -0.4167 -0.3800 -0.3800 0.0868 0.0868 0.1880 0.1880 0.3454 0.3454 0.4801 0.4801 0.4833 0.4833 0.6631 0.6631 5.5390 5.5390 5.9907 5.9907 6.4382 6.4382 6.9582 6.9582 11.3766 11.3766 12.0528 12.0528 12.0676 12.0676 12.2922 12.2922 k = 0.4898-0.0000 0.3058 ( 4404 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4730 -0.4730 -0.4245 -0.4245 -0.4170 -0.4170 -0.3802 -0.3802 0.0862 0.0862 0.1876 0.1876 0.3455 0.3455 0.4808 0.4808 0.4834 0.4834 0.6650 0.6650 5.6379 5.6379 6.0649 6.0649 6.3334 6.3334 6.8730 6.8730 11.4031 11.4031 12.1019 12.1019 12.1639 12.1639 12.4302 12.4302 k = 0.5000-0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4733 -0.4733 -0.4246 -0.4246 -0.4170 -0.4170 -0.3803 -0.3803 0.0860 0.0860 0.1875 0.1875 0.3455 0.3455 0.4810 0.4810 0.4834 0.4834 0.6656 0.6656 5.6787 5.6787 6.0917 6.0917 6.2925 6.2925 6.8406 6.8406 11.4121 11.4121 12.1138 12.1138 12.2218 12.2218 12.4775 12.4775 k = 0.5000-0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4733 -0.4733 -0.4246 -0.4246 -0.4170 -0.4170 -0.3803 -0.3803 0.0860 0.0860 0.1875 0.1875 0.3455 0.3455 0.4810 0.4810 0.4834 0.4834 0.6656 0.6656 5.6787 5.6787 6.0917 6.0917 6.2925 6.2925 6.8406 6.8406 11.4121 11.4121 12.1138 12.1138 12.2218 12.2218 12.4775 12.4775 k = 0.5000 0.0101 0.3058 ( 4400 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4735 -0.4735 -0.4248 -0.4248 -0.4169 -0.4169 -0.3803 -0.3803 0.0861 0.0861 0.1877 0.1877 0.3451 0.3451 0.4795 0.4795 0.4853 0.4853 0.6657 0.6657 5.6799 5.6799 6.0932 6.0932 6.2940 6.2940 6.8417 6.8417 11.3782 11.3782 12.0339 12.0339 12.2055 12.2055 12.5368 12.5368 k = 0.5000 0.0201 0.3058 ( 4400 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3421 -34.3421 -34.0610 -34.0610 -34.0569 -34.0569 -34.0565 -34.0565 -34.0514 -34.0514 -0.4741 -0.4741 -0.4253 -0.4253 -0.4167 -0.4167 -0.3802 -0.3802 0.0866 0.0866 0.1883 0.1883 0.3439 0.3439 0.4773 0.4773 0.4885 0.4885 0.6662 0.6662 5.6836 5.6836 6.0976 6.0976 6.2988 6.2988 6.8449 6.8449 11.2870 11.2870 11.8794 11.8794 12.1587 12.1587 12.4760 12.4760 k = 0.5000 0.0302 0.3058 ( 4404 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3467 -34.3467 -34.3421 -34.3421 -34.0610 -34.0610 -34.0570 -34.0570 -34.0564 -34.0564 -34.0514 -34.0514 -0.4750 -0.4750 -0.4261 -0.4261 -0.4164 -0.4164 -0.3801 -0.3801 0.0873 0.0873 0.1894 0.1894 0.3420 0.3420 0.4750 0.4750 0.4922 0.4922 0.6669 0.6669 5.6899 5.6899 6.1049 6.1049 6.3066 6.3066 6.8502 6.8502 11.1586 11.1586 11.7086 11.7086 12.0870 12.0870 12.3827 12.3827 k = 0.5000 0.0403 0.3058 ( 4396 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3467 -34.3467 -34.3421 -34.3421 -34.0609 -34.0609 -34.0571 -34.0571 -34.0563 -34.0563 -34.0514 -34.0514 -0.4763 -0.4763 -0.4272 -0.4272 -0.4160 -0.4160 -0.3799 -0.3799 0.0884 0.0884 0.1908 0.1908 0.3394 0.3394 0.4727 0.4727 0.4966 0.4966 0.6680 0.6680 5.6986 5.6986 6.1152 6.1152 6.3176 6.3176 6.8576 6.8576 11.0093 11.0093 11.5343 11.5343 11.9968 11.9968 12.2696 12.2696 k = 0.5000 0.0504 0.3058 ( 4392 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3467 -34.3467 -34.3421 -34.3421 -34.0609 -34.0609 -34.0572 -34.0572 -34.0562 -34.0562 -34.0514 -34.0514 -0.4779 -0.4779 -0.4285 -0.4285 -0.4155 -0.4155 -0.3797 -0.3797 0.0898 0.0898 0.1927 0.1927 0.3362 0.3362 0.4703 0.4703 0.5015 0.5015 0.6692 0.6692 5.7098 5.7098 6.1284 6.1284 6.3317 6.3317 6.8671 6.8671 10.8487 10.8487 11.3600 11.3600 11.8937 11.8937 12.1444 12.1444 k = 0.5000 0.0604 0.3058 ( 4392 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3467 -34.3467 -34.3421 -34.3421 -34.0609 -34.0609 -34.0573 -34.0573 -34.0561 -34.0561 -34.0514 -34.0514 -0.4797 -0.4797 -0.4301 -0.4301 -0.4150 -0.4150 -0.3795 -0.3795 0.0914 0.0914 0.1950 0.1950 0.3325 0.3325 0.4676 0.4676 0.5070 0.5070 0.6707 0.6707 5.7235 5.7235 6.1445 6.1445 6.3489 6.3489 6.8787 6.8787 10.6825 10.6825 11.1870 11.1870 11.7820 11.7820 12.0119 12.0119 k = 0.5000 0.0705 0.3058 ( 4388 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3466 -34.3466 -34.3422 -34.3422 -34.0609 -34.0609 -34.0574 -34.0574 -34.0560 -34.0560 -34.0514 -34.0514 -0.4818 -0.4818 -0.4318 -0.4318 -0.4146 -0.4146 -0.3793 -0.3793 0.0934 0.0934 0.1976 0.1976 0.3284 0.3284 0.4647 0.4647 0.5129 0.5129 0.6724 0.6724 5.7398 5.7398 6.1636 6.1636 6.3691 6.3691 6.8923 6.8923 10.5139 10.5139 11.0160 11.0160 11.6649 11.6649 11.8753 11.8753 k = 0.5000 0.0806 0.3058 ( 4384 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3466 -34.3466 -34.3422 -34.3422 -34.0609 -34.0609 -34.0574 -34.0574 -34.0559 -34.0559 -34.0514 -34.0514 -0.4840 -0.4840 -0.4338 -0.4338 -0.4141 -0.4141 -0.3791 -0.3791 0.0956 0.0956 0.2005 0.2005 0.3241 0.3241 0.4616 0.4616 0.5193 0.5193 0.6743 0.6743 5.7587 5.7587 6.1856 6.1856 6.3922 6.3922 6.9079 6.9079 10.3447 10.3447 10.8472 10.8472 11.5446 11.5446 11.7368 11.7368 k = 0.5000 0.0907 0.3058 ( 4388 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3465 -34.3465 -34.3423 -34.3423 -34.0609 -34.0609 -34.0575 -34.0575 -34.0558 -34.0558 -34.0515 -34.0515 -0.4864 -0.4864 -0.4360 -0.4360 -0.4137 -0.4137 -0.3789 -0.3789 0.0981 0.0981 0.2038 0.2038 0.3194 0.3194 0.4582 0.4582 0.5261 0.5261 0.6762 0.6762 5.7801 5.7801 6.2105 6.2105 6.4182 6.4182 6.9253 6.9253 10.1761 10.1761 10.6809 10.6809 11.4227 11.4227 11.5977 11.5977 k = 0.5000 0.1007 0.3058 ( 4388 PWs) bands (ev): -67.4032 -67.4032 -67.4022 -67.4022 -34.3465 -34.3465 -34.3423 -34.3423 -34.0608 -34.0608 -34.0576 -34.0576 -34.0557 -34.0557 -34.0515 -34.0515 -0.4888 -0.4888 -0.4383 -0.4383 -0.4133 -0.4133 -0.3788 -0.3788 0.1009 0.1009 0.2074 0.2074 0.3147 0.3147 0.4546 0.4546 0.5331 0.5331 0.6783 0.6783 5.8042 5.8042 6.2384 6.2384 6.4470 6.4470 6.9446 6.9446 10.0090 10.0090 10.5172 10.5172 11.3002 11.3002 11.4590 11.4590 k = 0.5000 0.1108 0.3058 ( 4388 PWs) bands (ev): -67.4031 -67.4031 -67.4022 -67.4022 -34.3464 -34.3464 -34.3424 -34.3424 -34.0608 -34.0608 -34.0577 -34.0577 -34.0556 -34.0556 -34.0516 -34.0516 -0.4913 -0.4913 -0.4408 -0.4408 -0.4129 -0.4129 -0.3787 -0.3787 0.1039 0.1039 0.2112 0.2112 0.3097 0.3097 0.4507 0.4507 0.5405 0.5405 0.6804 0.6804 5.8310 5.8310 6.2693 6.2693 6.4786 6.4786 6.9656 6.9656 9.8438 9.8438 10.3561 10.3561 11.1782 11.1782 11.3214 11.3214 k = 0.5000 0.1209 0.3058 ( 4396 PWs) bands (ev): -67.4031 -67.4031 -67.4022 -67.4022 -34.3463 -34.3463 -34.3425 -34.3425 -34.0608 -34.0608 -34.0578 -34.0578 -34.0555 -34.0555 -34.0516 -34.0516 -0.4938 -0.4938 -0.4435 -0.4435 -0.4125 -0.4125 -0.3786 -0.3786 0.1072 0.1072 0.2152 0.2152 0.3048 0.3048 0.4465 0.4465 0.5480 0.5480 0.6826 0.6826 5.8604 5.8604 6.3031 6.3031 6.5128 6.5128 6.9883 6.9883 9.6810 9.6810 10.1977 10.1977 11.0572 11.0572 11.1854 11.1854 k = 0.5000 0.1310 0.3058 ( 4400 PWs) bands (ev): -67.4031 -67.4031 -67.4022 -67.4022 -34.3463 -34.3463 -34.3426 -34.3426 -34.0608 -34.0608 -34.0579 -34.0579 -34.0553 -34.0553 -34.0517 -34.0517 -0.4962 -0.4962 -0.4464 -0.4464 -0.4121 -0.4121 -0.3786 -0.3786 0.1107 0.1107 0.2195 0.2195 0.2997 0.2997 0.4422 0.4422 0.5557 0.5557 0.6847 0.6847 5.8926 5.8926 6.3398 6.3398 6.5496 6.5496 7.0125 7.0125 9.5208 9.5208 10.0421 10.0421 10.9378 10.9378 11.0516 11.0516 k = 0.5000 0.1410 0.3058 ( 4396 PWs) bands (ev): -67.4031 -67.4031 -67.4023 -67.4023 -34.3462 -34.3462 -34.3426 -34.3426 -34.0607 -34.0607 -34.0580 -34.0580 -34.0552 -34.0552 -34.0517 -34.0517 -0.4986 -0.4986 -0.4494 -0.4494 -0.4117 -0.4117 -0.3787 -0.3787 0.1144 0.1144 0.2240 0.2240 0.2948 0.2948 0.4377 0.4377 0.5635 0.5635 0.6868 0.6868 5.9275 5.9275 6.3795 6.3795 6.5887 6.5887 7.0380 7.0380 9.3634 9.3634 9.8894 9.8894 10.8204 10.8204 10.9204 10.9204 k = 0.5000 0.1511 0.3058 ( 4400 PWs) bands (ev): -67.4031 -67.4031 -67.4023 -67.4023 -34.3461 -34.3461 -34.3427 -34.3427 -34.0607 -34.0607 -34.0581 -34.0581 -34.0551 -34.0551 -34.0517 -34.0517 -0.5009 -0.5009 -0.4525 -0.4525 -0.4113 -0.4113 -0.3788 -0.3788 0.1183 0.1183 0.2285 0.2285 0.2898 0.2898 0.4329 0.4329 0.5713 0.5713 0.6887 0.6887 5.9653 5.9653 6.4221 6.4221 6.6301 6.6301 7.0648 7.0648 9.2091 9.2091 9.7395 9.7395 10.7054 10.7054 10.7920 10.7920 k = 0.5000 0.1612 0.3058 ( 4396 PWs) bands (ev): -67.4031 -67.4031 -67.4023 -67.4023 -34.3461 -34.3461 -34.3428 -34.3428 -34.0607 -34.0607 -34.0582 -34.0582 -34.0550 -34.0550 -34.0518 -34.0518 -0.5030 -0.5030 -0.4558 -0.4558 -0.4108 -0.4108 -0.3791 -0.3791 0.1225 0.1225 0.2331 0.2331 0.2851 0.2851 0.4280 0.4280 0.5792 0.5792 0.6906 0.6906 6.0059 6.0059 6.4677 6.4677 6.6737 6.6737 7.0927 7.0927 9.0579 9.0579 9.5925 9.5925 10.5931 10.5931 10.6669 10.6669 k = 0.5000 0.1713 0.3058 ( 4388 PWs) bands (ev): -67.4030 -67.4030 -67.4023 -67.4023 -34.3460 -34.3460 -34.3428 -34.3428 -34.0607 -34.0607 -34.0583 -34.0583 -34.0549 -34.0549 -34.0518 -34.0518 -0.5050 -0.5050 -0.4592 -0.4592 -0.4103 -0.4103 -0.3794 -0.3794 0.1267 0.1267 0.2376 0.2376 0.2806 0.2806 0.4229 0.4229 0.5871 0.5871 0.6923 0.6923 6.0495 6.0495 6.5162 6.5162 6.7191 6.7191 7.1213 7.1213 8.9099 8.9099 9.4485 9.4485 10.4839 10.4839 10.5454 10.5454 k = 0.5000 0.1813 0.3058 ( 4388 PWs) bands (ev): -67.4030 -67.4030 -67.4023 -67.4023 -34.3459 -34.3459 -34.3429 -34.3429 -34.0606 -34.0606 -34.0584 -34.0584 -34.0547 -34.0547 -34.0519 -34.0519 -0.5069 -0.5069 -0.4626 -0.4626 -0.4097 -0.4097 -0.3798 -0.3798 0.1311 0.1311 0.2419 0.2419 0.2765 0.2765 0.4176 0.4176 0.5949 0.5949 0.6937 0.6937 6.0959 6.0959 6.5676 6.5676 6.7663 6.7663 7.1504 7.1504 8.7653 8.7653 9.3073 9.3073 10.3781 10.3781 10.4279 10.4279 k = 0.5000 0.1914 0.3058 ( 4384 PWs) bands (ev): -67.4030 -67.4030 -67.4024 -67.4024 -34.3458 -34.3458 -34.3430 -34.3430 -34.0606 -34.0606 -34.0585 -34.0585 -34.0546 -34.0546 -34.0519 -34.0519 -0.5085 -0.5085 -0.4661 -0.4661 -0.4090 -0.4090 -0.3803 -0.3803 0.1357 0.1357 0.2454 0.2454 0.2734 0.2734 0.4122 0.4122 0.6026 0.6026 0.6950 0.6950 6.1453 6.1453 6.6218 6.6218 6.8150 6.8150 7.1798 7.1798 8.6241 8.6241 9.1692 9.1692 10.2760 10.2760 10.3148 10.3148 k = 0.5000 0.2015 0.3058 ( 4384 PWs) bands (ev): -67.4030 -67.4030 -67.4024 -67.4024 -34.3457 -34.3457 -34.3431 -34.3431 -34.0605 -34.0605 -34.0586 -34.0586 -34.0545 -34.0545 -34.0520 -34.0520 -0.5099 -0.5099 -0.4696 -0.4696 -0.4083 -0.4083 -0.3809 -0.3809 0.1403 0.1403 0.2474 0.2474 0.2718 0.2718 0.4066 0.4066 0.6102 0.6102 0.6960 0.6960 6.1978 6.1978 6.6788 6.6788 6.8650 6.8650 7.2090 7.2090 8.4864 8.4864 9.0341 9.0341 10.1780 10.1780 10.2065 10.2065 k = 0.5000 0.2116 0.3058 ( 4376 PWs) bands (ev): -67.4030 -67.4030 -67.4024 -67.4024 -34.3456 -34.3456 -34.3432 -34.3432 -34.0604 -34.0604 -34.0587 -34.0587 -34.0544 -34.0544 -34.0520 -34.0520 -0.5110 -0.5110 -0.4732 -0.4732 -0.4075 -0.4075 -0.3816 -0.3816 0.1450 0.1450 0.2472 0.2472 0.2727 0.2727 0.4010 0.4010 0.6176 0.6176 0.6968 0.6968 6.2533 6.2533 6.7384 6.7384 6.9160 6.9160 7.2376 7.2376 8.3524 8.3524 8.9021 8.9021 10.0844 10.0844 10.1035 10.1035 k = 0.5000 0.2216 0.3058 ( 4376 PWs) bands (ev): -67.4029 -67.4029 -67.4024 -67.4024 -34.3455 -34.3455 -34.3433 -34.3433 -34.0604 -34.0604 -34.0588 -34.0588 -34.0542 -34.0542 -34.0521 -34.0521 -0.5119 -0.5119 -0.4767 -0.4767 -0.4066 -0.4066 -0.3824 -0.3824 0.1499 0.1499 0.2449 0.2449 0.2757 0.2757 0.3952 0.3952 0.6249 0.6249 0.6972 0.6972 6.3119 6.3119 6.8006 6.8006 6.9677 6.9677 7.2652 7.2652 8.2221 8.2221 8.7731 8.7731 9.9955 9.9955 10.0065 10.0065 k = 0.5000 0.2317 0.3058 ( 4384 PWs) bands (ev): -67.4029 -67.4029 -67.4024 -67.4024 -34.3454 -34.3454 -34.3434 -34.3434 -34.0604 -34.0604 -34.0589 -34.0589 -34.0541 -34.0541 -34.0522 -34.0522 -0.5126 -0.5126 -0.4802 -0.4802 -0.4057 -0.4057 -0.3833 -0.3833 0.1547 0.1547 0.2415 0.2415 0.2801 0.2801 0.3893 0.3893 0.6319 0.6319 0.6973 0.6973 6.3736 6.3736 6.8649 6.8649 7.0199 7.0199 7.2913 7.2913 8.0956 8.0956 8.6472 8.6472 9.9114 9.9114 9.9163 9.9163 k = 0.5000 0.2418 0.3058 ( 4388 PWs) bands (ev): -67.4029 -67.4029 -67.4025 -67.4025 -34.3453 -34.3453 -34.3435 -34.3435 -34.0603 -34.0603 -34.0590 -34.0590 -34.0540 -34.0540 -34.0523 -34.0523 -0.5130 -0.5130 -0.4836 -0.4836 -0.4047 -0.4047 -0.3842 -0.3842 0.1596 0.1596 0.2374 0.2374 0.2852 0.2852 0.3833 0.3833 0.6386 0.6386 0.6970 0.6970 6.4384 6.4384 6.9310 6.9310 7.0724 7.0724 7.3151 7.3151 7.9732 7.9732 8.5245 8.5245 9.8307 9.8307 9.8356 9.8356 k = 0.5000 0.2519 0.3058 ( 4384 PWs) bands (ev): -67.4029 -67.4029 -67.4025 -67.4025 -34.3452 -34.3452 -34.3436 -34.3436 -34.0602 -34.0602 -34.0591 -34.0591 -34.0539 -34.0539 -34.0524 -34.0524 -0.5131 -0.5131 -0.4870 -0.4870 -0.4036 -0.4036 -0.3853 -0.3853 0.1646 0.1646 0.2330 0.2330 0.2907 0.2907 0.3772 0.3772 0.6451 0.6451 0.6964 0.6964 6.5064 6.5064 6.9978 6.9978 7.1251 7.1251 7.3362 7.3362 7.8553 7.8553 8.4049 8.4049 9.7552 9.7552 9.7639 9.7639 k = 0.5000 0.2619 0.3058 ( 4388 PWs) bands (ev): -67.4028 -67.4028 -67.4025 -67.4025 -34.3451 -34.3451 -34.3437 -34.3437 -34.0602 -34.0602 -34.0592 -34.0592 -34.0538 -34.0538 -34.0525 -34.0525 -0.5129 -0.5129 -0.4902 -0.4902 -0.4024 -0.4024 -0.3865 -0.3865 0.1696 0.1696 0.2283 0.2283 0.2965 0.2965 0.3711 0.3711 0.6513 0.6513 0.6954 0.6954 6.5775 6.5775 7.0638 7.0638 7.1781 7.1781 7.3539 7.3539 7.7425 7.7425 8.2886 8.2886 9.6879 9.6879 9.6995 9.6995 k = 0.5000 0.2720 0.3058 ( 4388 PWs) bands (ev): -67.4028 -67.4028 -67.4025 -67.4025 -34.3450 -34.3450 -34.3438 -34.3438 -34.0601 -34.0601 -34.0593 -34.0593 -34.0536 -34.0536 -34.0525 -34.0525 -0.5124 -0.5124 -0.4933 -0.4933 -0.4011 -0.4011 -0.3877 -0.3877 0.1746 0.1746 0.2236 0.2236 0.3024 0.3024 0.3649 0.3649 0.6571 0.6571 0.6940 0.6940 6.6518 6.6518 7.1259 7.1259 7.2314 7.2314 7.3685 7.3685 7.6367 7.6367 8.1755 8.1755 9.6298 9.6298 9.6428 9.6428 k = 0.5000 0.2821 0.3058 ( 4388 PWs) bands (ev): -67.4028 -67.4028 -67.4026 -67.4026 -34.3449 -34.3449 -34.3440 -34.3440 -34.0600 -34.0600 -34.0594 -34.0594 -34.0535 -34.0535 -34.0527 -34.0527 -0.5117 -0.5117 -0.4962 -0.4962 -0.3999 -0.3999 -0.3889 -0.3889 0.1795 0.1795 0.2189 0.2189 0.3085 0.3085 0.3587 0.3587 0.6626 0.6626 0.6921 0.6921 6.7290 6.7290 7.1794 7.1794 7.2805 7.2805 7.3826 7.3826 7.5428 7.5428 8.0659 8.0659 9.5816 9.5816 9.5945 9.5945 k = 0.5000 0.2922 0.3058 ( 4384 PWs) bands (ev): -67.4028 -67.4028 -67.4026 -67.4026 -34.3447 -34.3447 -34.3441 -34.3441 -34.0600 -34.0600 -34.0594 -34.0594 -34.0534 -34.0534 -34.0527 -34.0527 -0.5106 -0.5106 -0.4989 -0.4989 -0.3985 -0.3985 -0.3902 -0.3902 0.1845 0.1845 0.2141 0.2141 0.3147 0.3147 0.3524 0.3524 0.6677 0.6677 0.6899 0.6899 6.8092 6.8092 7.2149 7.2149 7.3074 7.3074 7.4027 7.4027 7.4806 7.4806 7.9598 7.9598 9.5441 9.5441 9.5553 9.5553 k = 0.5000 0.3022 0.3058 ( 4388 PWs) bands (ev): -67.4027 -67.4027 -67.4026 -67.4026 -34.3446 -34.3446 -34.3442 -34.3442 -34.0599 -34.0599 -34.0595 -34.0595 -34.0533 -34.0533 -34.0528 -34.0528 -0.5093 -0.5093 -0.5015 -0.5015 -0.3972 -0.3972 -0.3916 -0.3916 0.1895 0.1895 0.2092 0.2092 0.3209 0.3209 0.3461 0.3461 0.6724 0.6724 0.6872 0.6872 6.8919 6.8919 7.2053 7.2053 7.3153 7.3153 7.3961 7.3961 7.5052 7.5052 7.8574 7.8574 9.5177 9.5177 9.5260 9.5260 k = 0.5000 0.3123 0.3058 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3445 -34.3445 -34.3443 -34.3443 -34.0598 -34.0598 -34.0596 -34.0596 -34.0532 -34.0532 -34.0530 -34.0530 -0.5077 -0.5077 -0.5038 -0.5038 -0.3958 -0.3958 -0.3930 -0.3930 0.1945 0.1945 0.2043 0.2043 0.3272 0.3272 0.3398 0.3398 0.6768 0.6768 0.6842 0.6842 6.9766 6.9766 7.1429 7.1429 7.3349 7.3349 7.3771 7.3771 7.5791 7.5791 7.7591 7.7591 9.5027 9.5027 9.5071 9.5071 k = 0.5000 0.3224 0.3058 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5059 -0.5059 -0.5059 -0.5059 -0.3944 -0.3944 -0.3944 -0.3944 0.1994 0.1994 0.1994 0.1994 0.3335 0.3335 0.3335 0.3335 0.6807 0.6807 0.6807 0.6807 7.0617 7.0617 7.0617 7.0617 7.3571 7.3571 7.3571 7.3571 7.6658 7.6658 7.6658 7.6658 9.4992 9.4992 9.4992 9.4992 k = 0.5000 0.3224 0.3058 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5059 -0.5059 -0.5059 -0.5059 -0.3944 -0.3944 -0.3944 -0.3944 0.1994 0.1994 0.1994 0.1994 0.3335 0.3335 0.3335 0.3335 0.6807 0.6807 0.6807 0.6807 7.0617 7.0617 7.0617 7.0617 7.3571 7.3571 7.3571 7.3571 7.6658 7.6658 7.6658 7.6658 9.4992 9.4992 9.4992 9.4992 k = 0.4898 0.3224 0.3058 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0530 -34.0530 -0.5056 -0.5056 -0.5055 -0.5055 -0.3945 -0.3945 -0.3942 -0.3942 0.1994 0.1994 0.1997 0.1997 0.3333 0.3333 0.3335 0.3335 0.6799 0.6799 0.6803 0.6803 7.0091 7.0091 7.0392 7.0392 7.3083 7.3083 7.3886 7.3886 7.6788 7.6788 7.7336 7.7336 9.5085 9.5085 9.5130 9.5130 k = 0.4796 0.3224 0.3058 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0530 -34.0530 -0.5047 -0.5047 -0.5046 -0.5046 -0.3946 -0.3946 -0.3941 -0.3941 0.1997 0.1997 0.2002 0.2002 0.3331 0.3331 0.3335 0.3335 0.6782 0.6782 0.6790 0.6790 6.9123 6.9123 6.9467 6.9467 7.2739 7.2739 7.3669 7.3669 7.7785 7.7785 7.8458 7.8458 9.5404 9.5404 9.5491 9.5491 k = 0.4694 0.3224 0.3058 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0530 -34.0530 -34.0530 -34.0530 -0.5033 -0.5033 -0.5030 -0.5030 -0.3948 -0.3948 -0.3940 -0.3940 0.2003 0.2003 0.2010 0.2010 0.3327 0.3327 0.3335 0.3335 0.6754 0.6754 0.6766 0.6766 6.7941 6.7941 6.8225 6.8225 7.2366 7.2366 7.3159 7.3159 7.9197 7.9197 7.9831 7.9831 9.5933 9.5933 9.6059 9.6059 k = 0.4592 0.3224 0.3058 ( 4388 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3443 -34.3443 -34.3443 -34.3443 -34.0596 -34.0596 -34.0596 -34.0596 -34.0530 -34.0530 -34.0530 -34.0530 -0.5012 -0.5012 -0.5008 -0.5008 -0.3950 -0.3950 -0.3939 -0.3939 0.2012 0.2012 0.2022 0.2022 0.3324 0.3324 0.3333 0.3333 0.6715 0.6715 0.6732 0.6732 6.6662 6.6662 6.6882 6.6882 7.1866 7.1866 7.2504 7.2504 8.0779 8.0779 8.1355 8.1355 9.6652 9.6652 9.6811 9.6811 k = 0.4490 0.3224 0.3058 ( 4388 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3443 -34.3443 -34.3443 -34.3443 -34.0596 -34.0596 -34.0596 -34.0596 -34.0530 -34.0530 -34.0530 -34.0530 -0.4985 -0.4985 -0.4981 -0.4981 -0.3951 -0.3951 -0.3939 -0.3939 0.2023 0.2023 0.2036 0.2036 0.3319 0.3319 0.3331 0.3331 0.6667 0.6667 0.6687 0.6687 6.5346 6.5346 6.5514 6.5514 7.1241 7.1241 7.1752 7.1752 8.2454 8.2454 8.2981 8.2981 9.7536 9.7536 9.7721 9.7721 k = 0.4388 0.3224 0.3058 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3443 -34.3443 -34.3443 -34.3443 -34.0595 -34.0595 -34.0595 -34.0595 -34.0530 -34.0530 -34.0530 -34.0530 -0.4953 -0.4953 -0.4948 -0.4948 -0.3953 -0.3953 -0.3938 -0.3938 0.2037 0.2037 0.2052 0.2052 0.3314 0.3314 0.3329 0.3329 0.6609 0.6609 0.6634 0.6634 6.4022 6.4022 6.4150 6.4150 7.0512 7.0512 7.0923 7.0923 8.4190 8.4190 8.4681 8.4681 9.8559 9.8559 9.8768 9.8768 k = 0.4286 0.3224 0.3058 ( 4388 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3442 -34.3442 -34.3442 -34.3442 -34.0595 -34.0595 -34.0594 -34.0594 -34.0530 -34.0530 -34.0529 -34.0529 -0.4915 -0.4915 -0.4909 -0.4909 -0.3955 -0.3955 -0.3938 -0.3938 0.2052 0.2052 0.2071 0.2071 0.3309 0.3309 0.3327 0.3327 0.6542 0.6542 0.6570 0.6570 6.2707 6.2707 6.2804 6.2804 6.9703 6.9703 7.0037 7.0037 8.5975 8.5975 8.6439 8.6439 9.9701 9.9701 9.9929 9.9929 k = 0.4184 0.3224 0.3058 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3442 -34.3442 -34.3442 -34.3442 -34.0594 -34.0594 -34.0594 -34.0594 -34.0529 -34.0529 -34.0529 -34.0529 -0.4872 -0.4872 -0.4865 -0.4865 -0.3957 -0.3957 -0.3938 -0.3938 0.2070 0.2070 0.2093 0.2093 0.3303 0.3303 0.3324 0.3324 0.6465 0.6465 0.6498 0.6498 6.1410 6.1410 6.1483 6.1483 6.8833 6.8833 6.9107 6.9107 8.7802 8.7802 8.8245 8.8245 10.0944 10.0944 10.1188 10.1188 k = 0.4082 0.3224 0.3058 ( 4388 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3441 -34.3441 -34.3441 -34.3441 -34.0593 -34.0593 -34.0593 -34.0593 -34.0529 -34.0529 -34.0528 -34.0528 -0.4824 -0.4824 -0.4816 -0.4816 -0.3960 -0.3960 -0.3939 -0.3939 0.2089 0.2089 0.2116 0.2116 0.3298 0.3298 0.3323 0.3323 0.6381 0.6381 0.6418 0.6418 6.0136 6.0136 6.0190 6.0190 6.7920 6.7920 6.8146 6.8146 8.9665 8.9665 9.0095 9.0095 10.2272 10.2272 10.2529 10.2529 k = 0.3980 0.3224 0.3058 ( 4376 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3440 -34.3440 -34.3440 -34.3440 -34.0592 -34.0592 -34.0592 -34.0592 -34.0528 -34.0528 -34.0528 -34.0528 -0.4772 -0.4772 -0.4763 -0.4763 -0.3963 -0.3963 -0.3940 -0.3940 0.2109 0.2109 0.2140 0.2140 0.3293 0.3293 0.3322 0.3322 0.6289 0.6289 0.6330 0.6330 5.8890 5.8890 5.8929 5.8929 6.6976 6.6976 6.7165 6.7165 9.1564 9.1564 9.1983 9.1983 10.3673 10.3673 10.3943 10.3943 k = 0.3878 0.3224 0.3058 ( 4380 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3439 -34.3439 -34.3439 -34.3439 -34.0591 -34.0591 -34.0591 -34.0591 -34.0528 -34.0528 -34.0527 -34.0527 -0.4716 -0.4716 -0.4706 -0.4706 -0.3966 -0.3966 -0.3941 -0.3941 0.2129 0.2129 0.2166 0.2166 0.3289 0.3289 0.3322 0.3322 0.6189 0.6189 0.6234 0.6234 5.7674 5.7674 5.7701 5.7701 6.6013 6.6013 6.6171 6.6171 9.3495 9.3495 9.3907 9.3907 10.5138 10.5138 10.5419 10.5419 k = 0.3776 0.3224 0.3058 ( 4388 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3439 -34.3439 -34.3439 -34.3439 -34.0590 -34.0590 -34.0590 -34.0590 -34.0527 -34.0527 -34.0526 -34.0526 -0.4657 -0.4657 -0.4645 -0.4645 -0.3969 -0.3969 -0.3943 -0.3943 0.2150 0.2150 0.2192 0.2192 0.3287 0.3287 0.3324 0.3324 0.6083 0.6083 0.6132 0.6132 5.6490 5.6490 5.6507 5.6507 6.5038 6.5038 6.5171 6.5171 9.5457 9.5457 9.5865 9.5865 10.6658 10.6658 10.6949 10.6949 k = 0.3673 0.3224 0.3058 ( 4388 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3438 -34.3438 -34.3438 -34.3438 -34.0589 -34.0589 -34.0589 -34.0589 -34.0526 -34.0526 -34.0526 -34.0526 -0.4594 -0.4594 -0.4581 -0.4581 -0.3973 -0.3973 -0.3946 -0.3946 0.2170 0.2170 0.2217 0.2217 0.3287 0.3287 0.3328 0.3328 0.5971 0.5971 0.6025 0.6025 5.5339 5.5339 5.5348 5.5348 6.4058 6.4058 6.4171 6.4171 9.7448 9.7448 9.7855 9.7855 10.8227 10.8227 10.8529 10.8529 k = 0.3571 0.3224 0.3058 ( 4388 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3437 -34.3437 -34.3437 -34.3437 -34.0588 -34.0588 -34.0588 -34.0588 -34.0525 -34.0525 -34.0525 -34.0525 -0.4530 -0.4530 -0.4515 -0.4515 -0.3976 -0.3976 -0.3949 -0.3949 0.2189 0.2189 0.2242 0.2242 0.3289 0.3289 0.3335 0.3335 0.5855 0.5855 0.5913 0.5913 5.4222 5.4222 5.4223 5.4223 6.3079 6.3079 6.3175 6.3175 9.9469 9.9469 9.9876 9.9876 10.9840 10.9840 11.0152 11.0152 k = 0.3469 0.3224 0.3058 ( 4380 PWs) bands (ev): -67.4028 -67.4028 -67.4028 -67.4028 -34.3436 -34.3436 -34.3436 -34.3436 -34.0587 -34.0587 -34.0587 -34.0587 -34.0524 -34.0524 -34.0523 -34.0523 -0.4464 -0.4464 -0.4448 -0.4448 -0.3980 -0.3980 -0.3952 -0.3952 0.2206 0.2206 0.2266 0.2266 0.3294 0.3294 0.3345 0.3345 0.5735 0.5735 0.5797 0.5797 5.3135 5.3135 5.3139 5.3139 6.2104 6.2104 6.2186 6.2186 10.1517 10.1517 10.1926 10.1926 11.1494 11.1494 11.1816 11.1816 k = 0.3367 0.3224 0.3058 ( 4372 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3435 -34.3435 -34.3434 -34.3434 -34.0586 -34.0586 -34.0586 -34.0586 -34.0523 -34.0523 -34.0522 -34.0522 -0.4398 -0.4398 -0.4379 -0.4379 -0.3982 -0.3982 -0.3956 -0.3956 0.2221 0.2221 0.2287 0.2287 0.3303 0.3303 0.3358 0.3358 0.5613 0.5613 0.5678 0.5678 5.2082 5.2082 5.2092 5.2092 6.1139 6.1139 6.1208 6.1208 10.3591 10.3591 10.4004 10.4004 11.3184 11.3184 11.3516 11.3516 k = 0.3265 0.3224 0.3058 ( 4376 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3434 -34.3434 -34.3433 -34.3433 -34.0585 -34.0585 -34.0585 -34.0585 -34.0522 -34.0522 -34.0521 -34.0521 -0.4334 -0.4334 -0.4311 -0.4311 -0.3984 -0.3984 -0.3959 -0.3959 0.2233 0.2233 0.2305 0.2305 0.3316 0.3316 0.3375 0.3375 0.5489 0.5489 0.5558 0.5558 5.1066 5.1066 5.1079 5.1079 6.0184 6.0184 6.0242 6.0242 10.5692 10.5692 10.6110 10.6110 11.4906 11.4906 11.5249 11.5249 k = 0.3163 0.3224 0.3058 ( 4376 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3433 -34.3433 -34.3432 -34.3432 -34.0584 -34.0584 -34.0584 -34.0584 -34.0520 -34.0520 -34.0520 -34.0520 -0.4275 -0.4275 -0.4246 -0.4246 -0.3982 -0.3982 -0.3961 -0.3961 0.2242 0.2242 0.2319 0.2319 0.3333 0.3333 0.3396 0.3396 0.5365 0.5365 0.5438 0.5438 5.0085 5.0085 5.0102 5.0102 5.9243 5.9243 5.9292 5.9292 10.7817 10.7817 10.8242 10.8242 11.6660 11.6660 11.7014 11.7014 k = 0.3061 0.3224 0.3058 ( 4376 PWs) bands (ev): -67.4029 -67.4029 -67.4029 -67.4029 -34.3432 -34.3432 -34.3431 -34.3431 -34.0583 -34.0583 -34.0583 -34.0583 -34.0519 -34.0519 -34.0518 -34.0518 -0.4223 -0.4223 -0.4186 -0.4186 -0.3974 -0.3974 -0.3959 -0.3959 0.2248 0.2248 0.2329 0.2329 0.3355 0.3355 0.3420 0.3420 0.5243 0.5243 0.5319 0.5319 4.9139 4.9139 4.9160 4.9160 5.8318 5.8318 5.8360 5.8360 10.9966 10.9966 11.0399 11.0399 11.8441 11.8441 11.8807 11.8807 k = 0.2959 0.3224 0.3058 ( 4376 PWs) bands (ev): -67.4030 -67.4030 -67.4030 -67.4030 -34.3430 -34.3430 -34.3430 -34.3430 -34.0583 -34.0583 -34.0582 -34.0582 -34.0517 -34.0517 -34.0516 -34.0516 -0.4184 -0.4184 -0.4137 -0.4137 -0.3955 -0.3955 -0.3949 -0.3949 0.2251 0.2251 0.2336 0.2336 0.3380 0.3380 0.3448 0.3448 0.5124 0.5124 0.5202 0.5202 4.8230 4.8230 4.8254 4.8254 5.7411 5.7411 5.7445 5.7445 11.2137 11.2137 11.2580 11.2580 12.0249 12.0249 12.0627 12.0627 k = 0.2857 0.3224 0.3058 ( 4376 PWs) bands (ev): -67.4030 -67.4030 -67.4030 -67.4030 -34.3429 -34.3429 -34.3429 -34.3429 -34.0582 -34.0582 -34.0581 -34.0581 -34.0516 -34.0516 -34.0515 -34.0515 -0.4161 -0.4161 -0.4106 -0.4106 -0.3926 -0.3926 -0.3924 -0.3924 0.2252 0.2252 0.2338 0.2338 0.3409 0.3409 0.3478 0.3478 0.5009 0.5009 0.5090 0.5090 4.7356 4.7356 4.7383 4.7383 5.6523 5.6523 5.6551 5.6551 11.4330 11.4330 11.4784 11.4784 12.2080 12.2080 12.2471 12.2471 k = 0.2755 0.3224 0.3058 ( 4376 PWs) bands (ev): -67.4030 -67.4030 -67.4030 -67.4030 -34.3428 -34.3428 -34.3428 -34.3428 -34.0581 -34.0581 -34.0581 -34.0581 -34.0514 -34.0514 -34.0513 -34.0513 -0.4153 -0.4153 -0.4094 -0.4094 -0.3887 -0.3887 -0.3883 -0.3883 0.2249 0.2249 0.2337 0.2337 0.3440 0.3440 0.3510 0.3510 0.4901 0.4901 0.4983 0.4983 4.6517 4.6517 4.6546 4.6546 5.5656 5.5656 5.5678 5.5678 11.6544 11.6544 11.7010 11.7010 12.3933 12.3933 12.4337 12.4337 k = 0.2653 0.3224 0.3058 ( 4388 PWs) bands (ev): -67.4030 -67.4030 -67.4030 -67.4030 -34.3427 -34.3427 -34.3427 -34.3427 -34.0581 -34.0581 -34.0580 -34.0580 -34.0512 -34.0512 -34.0511 -34.0511 -0.4156 -0.4156 -0.4096 -0.4096 -0.3841 -0.3841 -0.3836 -0.3836 0.2245 0.2245 0.2334 0.2334 0.3472 0.3472 0.3541 0.3541 0.4802 0.4802 0.4885 0.4885 4.5713 4.5713 4.5744 4.5744 5.4811 5.4811 5.4828 5.4828 11.8776 11.8776 11.9256 11.9256 12.5806 12.5806 12.6224 12.6224 k = 0.2551 0.3224 0.3058 ( 4392 PWs) bands (ev): -67.4031 -67.4031 -67.4031 -67.4031 -34.3426 -34.3426 -34.3426 -34.3426 -34.0580 -34.0580 -34.0580 -34.0580 -34.0510 -34.0510 -34.0509 -34.0509 -0.4166 -0.4166 -0.4106 -0.4106 -0.3792 -0.3792 -0.3788 -0.3788 0.2240 0.2240 0.2328 0.2328 0.3501 0.3501 0.3570 0.3570 0.4714 0.4714 0.4797 0.4797 4.4943 4.4943 4.4976 4.4976 5.3989 5.3989 5.4001 5.4001 12.1025 12.1025 12.1521 12.1521 12.7697 12.7697 12.8129 12.8129 k = 0.2449 0.3224 0.3058 ( 4396 PWs) bands (ev): -67.4031 -67.4031 -67.4031 -67.4031 -34.3425 -34.3425 -34.3424 -34.3424 -34.0580 -34.0580 -34.0579 -34.0579 -34.0508 -34.0508 -34.0507 -34.0507 -0.4180 -0.4180 -0.4121 -0.4121 -0.3746 -0.3746 -0.3743 -0.3743 0.2234 0.2234 0.2321 0.2321 0.3526 0.3526 0.3595 0.3595 0.4641 0.4641 0.4723 0.4723 4.4208 4.4208 4.4243 4.4243 5.3190 5.3190 5.3199 5.3199 12.3290 12.3290 12.3803 12.3803 12.9603 12.9603 13.0050 13.0050 k = 0.2347 0.3224 0.3058 ( 4408 PWs) bands (ev): -67.4031 -67.4031 -67.4031 -67.4031 -34.3424 -34.3424 -34.3423 -34.3423 -34.0579 -34.0579 -34.0579 -34.0579 -34.0506 -34.0506 -34.0505 -34.0505 -0.4198 -0.4198 -0.4139 -0.4139 -0.3704 -0.3704 -0.3702 -0.3702 0.2230 0.2230 0.2314 0.2314 0.3543 0.3543 0.3612 0.3612 0.4584 0.4584 0.4664 0.4664 4.3506 4.3506 4.3542 4.3542 5.2417 5.2417 5.2422 5.2422 12.5566 12.5566 12.6098 12.6098 13.1522 13.1522 13.1983 13.1983 k = 0.2245 0.3224 0.3058 ( 4404 PWs) bands (ev): -67.4031 -67.4031 -67.4031 -67.4031 -34.3423 -34.3423 -34.3422 -34.3422 -34.0579 -34.0579 -34.0579 -34.0579 -34.0504 -34.0504 -34.0503 -34.0503 -0.4219 -0.4219 -0.4161 -0.4161 -0.3667 -0.3667 -0.3665 -0.3665 0.2226 0.2226 0.2308 0.2308 0.3551 0.3551 0.3620 0.3620 0.4546 0.4546 0.4623 0.4623 4.2838 4.2838 4.2875 4.2875 5.1670 5.1670 5.1671 5.1671 12.7853 12.7853 12.8405 12.8405 13.3452 13.3452 13.3926 13.3926 k = 0.2143 0.3224 0.3058 ( 4408 PWs) bands (ev): -67.4032 -67.4032 -67.4032 -67.4032 -34.3421 -34.3421 -34.3421 -34.3421 -34.0579 -34.0579 -34.0578 -34.0578 -34.0502 -34.0502 -34.0501 -34.0501 -0.4243 -0.4243 -0.4185 -0.4185 -0.3636 -0.3636 -0.3634 -0.3634 0.2225 0.2225 0.2303 0.2303 0.3548 0.3548 0.3617 0.3617 0.4528 0.4528 0.4601 0.4601 4.2202 4.2202 4.2241 4.2241 5.0948 5.0948 5.0949 5.0949 13.0146 13.0146 13.0719 13.0719 13.5390 13.5390 13.5874 13.5874 k = 0.2041 0.3224 0.3058 ( 4408 PWs) bands (ev): -67.4032 -67.4032 -67.4032 -67.4032 -34.3420 -34.3420 -34.3420 -34.3420 -34.0578 -34.0578 -34.0578 -34.0578 -34.0499 -34.0499 -34.0499 -34.0499 -0.4269 -0.4269 -0.4212 -0.4212 -0.3611 -0.3611 -0.3610 -0.3610 0.2226 0.2226 0.2301 0.2301 0.3534 0.3534 0.3603 0.3603 0.4530 0.4530 0.4597 0.4597 4.1599 4.1599 4.1639 4.1639 5.0252 5.0252 5.0257 5.0257 13.2439 13.2439 13.3033 13.3033 13.7333 13.7333 13.7822 13.7822 k = 0.1939 0.3224 0.3058 ( 4404 PWs) bands (ev): -67.4032 -67.4032 -67.4032 -67.4032 -34.3419 -34.3419 -34.3419 -34.3419 -34.0578 -34.0578 -34.0578 -34.0578 -34.0497 -34.0497 -34.0496 -34.0496 -0.4298 -0.4298 -0.4242 -0.4242 -0.3593 -0.3593 -0.3591 -0.3591 0.2231 0.2231 0.2302 0.2302 0.3510 0.3510 0.3579 0.3579 0.4549 0.4549 0.4611 0.4611 4.1028 4.1028 4.1068 4.1068 4.9585 4.9585 4.9592 4.9592 13.4726 13.4726 13.5339 13.5339 13.9280 13.9280 13.9763 13.9763 k = 0.1837 0.3224 0.3058 ( 4404 PWs) bands (ev): -67.4032 -67.4032 -67.4032 -67.4032 -34.3418 -34.3418 -34.3418 -34.3418 -34.0578 -34.0578 -34.0578 -34.0578 -34.0495 -34.0495 -34.0494 -34.0494 -0.4329 -0.4329 -0.4274 -0.4274 -0.3580 -0.3580 -0.3579 -0.3579 0.2239 0.2239 0.2306 0.2306 0.3480 0.3480 0.3549 0.3549 0.4582 0.4582 0.4638 0.4638 4.0488 4.0488 4.0529 4.0529 4.8948 4.8948 4.8957 4.8957 13.6997 13.6997 13.7623 13.7623 14.1231 14.1231 14.1683 14.1683 k = 0.1735 0.3224 0.3058 ( 4400 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3417 -34.3417 -34.3417 -34.3417 -34.0578 -34.0578 -34.0577 -34.0577 -34.0493 -34.0493 -34.0492 -34.0492 -0.4362 -0.4362 -0.4308 -0.4308 -0.3574 -0.3574 -0.3572 -0.3572 0.2251 0.2251 0.2314 0.2314 0.3446 0.3446 0.3514 0.3514 0.4626 0.4626 0.4677 0.4677 3.9980 3.9980 4.0021 4.0021 4.8340 4.8340 4.8351 4.8351 13.9239 13.9239 13.9863 13.9863 14.3188 14.3188 14.3563 14.3563 k = 0.1633 0.3224 0.3058 ( 4404 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3416 -34.3416 -34.3416 -34.3416 -34.0578 -34.0578 -34.0577 -34.0577 -34.0491 -34.0491 -34.0490 -34.0490 -0.4397 -0.4397 -0.4345 -0.4345 -0.3572 -0.3572 -0.3570 -0.3570 0.2267 0.2267 0.2325 0.2325 0.3410 0.3410 0.3477 0.3477 0.4676 0.4676 0.4723 0.4723 3.9502 3.9502 3.9543 3.9543 4.7764 4.7764 4.7776 4.7776 14.1433 14.1433 14.2025 14.2025 14.5154 14.5154 14.5354 14.5354 k = 0.1531 0.3224 0.3058 ( 4404 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3415 -34.3415 -34.3415 -34.3415 -34.0578 -34.0578 -34.0577 -34.0577 -34.0488 -34.0488 -34.0488 -34.0488 -0.4434 -0.4434 -0.4384 -0.4384 -0.3575 -0.3575 -0.3573 -0.3573 0.2286 0.2286 0.2340 0.2340 0.3375 0.3375 0.3439 0.3439 0.4732 0.4732 0.4774 0.4774 3.9055 3.9055 3.9096 3.9096 4.7218 4.7218 4.7232 4.7232 14.3549 14.3549 14.4059 14.4059 14.6924 14.6924 14.7127 14.7127 k = 0.1429 0.3224 0.3058 ( 4408 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3414 -34.3414 -34.3414 -34.3414 -34.0578 -34.0578 -34.0577 -34.0577 -34.0486 -34.0486 -34.0486 -34.0486 -0.4473 -0.4473 -0.4425 -0.4425 -0.3582 -0.3582 -0.3579 -0.3579 0.2309 0.2309 0.2358 0.2358 0.3341 0.3341 0.3403 0.3403 0.4791 0.4791 0.4828 0.4828 3.8638 3.8638 3.8678 3.8678 4.6705 4.6705 4.6720 4.6720 14.5547 14.5547 14.5888 14.5888 14.7961 14.7961 14.8938 14.8938 k = 0.1327 0.3224 0.3058 ( 4404 PWs) bands (ev): -67.4033 -67.4033 -67.4033 -67.4033 -34.3413 -34.3413 -34.3413 -34.3413 -34.0578 -34.0578 -34.0577 -34.0577 -34.0484 -34.0484 -34.0484 -34.0484 -0.4513 -0.4513 -0.4467 -0.4467 -0.3591 -0.3591 -0.3588 -0.3588 0.2333 0.2333 0.2379 0.2379 0.3309 0.3309 0.3368 0.3368 0.4851 0.4851 0.4884 0.4884 3.8250 3.8250 3.8290 3.8290 4.6225 4.6225 4.6240 4.6240 14.7334 14.7334 14.7358 14.7358 14.8310 14.8310 14.9530 14.9530 k = 0.1224 0.3224 0.3058 ( 4400 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3412 -34.3412 -34.3412 -34.3412 -34.0578 -34.0578 -34.0577 -34.0577 -34.0482 -34.0482 -34.0482 -34.0482 -0.4553 -0.4553 -0.4510 -0.4510 -0.3602 -0.3602 -0.3599 -0.3599 0.2359 0.2359 0.2401 0.2401 0.3281 0.3281 0.3337 0.3337 0.4911 0.4911 0.4940 0.4940 3.7892 3.7892 3.7931 3.7931 4.5778 4.5778 4.5793 4.5793 14.7998 14.7998 14.8045 14.8045 14.9161 14.9161 14.9964 14.9964 k = 0.1122 0.3224 0.3058 ( 4412 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3412 -34.3412 -34.3411 -34.3411 -34.0578 -34.0578 -34.0577 -34.0577 -34.0481 -34.0481 -34.0480 -34.0480 -0.4594 -0.4594 -0.4554 -0.4554 -0.3615 -0.3615 -0.3612 -0.3612 0.2386 0.2386 0.2424 0.2424 0.3255 0.3255 0.3308 0.3308 0.4970 0.4970 0.4995 0.4995 3.7564 3.7564 3.7600 3.7600 4.5364 4.5364 4.5380 4.5380 14.7777 14.7777 14.7963 14.7963 15.0511 15.0511 15.0885 15.0885 k = 0.1020 0.3224 0.3058 ( 4416 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3411 -34.3411 -34.3411 -34.3411 -34.0578 -34.0578 -34.0577 -34.0577 -34.0479 -34.0479 -34.0479 -34.0479 -0.4634 -0.4634 -0.4597 -0.4597 -0.3628 -0.3628 -0.3625 -0.3625 0.2414 0.2414 0.2448 0.2448 0.3234 0.3234 0.3282 0.3282 0.5027 0.5027 0.5049 0.5049 3.7264 3.7264 3.7299 3.7299 4.4985 4.4985 4.5001 4.5001 14.7483 14.7483 14.7676 14.7676 15.1632 15.1632 15.1791 15.1791 k = 0.0918 0.3224 0.3058 ( 4432 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3411 -34.3411 -34.3410 -34.3410 -34.0578 -34.0578 -34.0578 -34.0578 -34.0478 -34.0478 -34.0477 -34.0477 -0.4674 -0.4674 -0.4640 -0.4640 -0.3642 -0.3642 -0.3639 -0.3639 0.2440 0.2440 0.2470 0.2470 0.3216 0.3216 0.3260 0.3260 0.5080 0.5080 0.5099 0.5099 3.6993 3.6993 3.7026 3.7026 4.4641 4.4641 4.4656 4.4656 14.7185 14.7185 14.7360 14.7360 15.2490 15.2490 15.2521 15.2521 k = 0.0816 0.3224 0.3058 ( 4436 PWs) bands (ev): -67.4034 -67.4034 -67.4034 -67.4034 -34.3410 -34.3410 -34.3410 -34.3410 -34.0578 -34.0578 -34.0578 -34.0578 -34.0477 -34.0477 -34.0476 -34.0476 -0.4711 -0.4711 -0.4680 -0.4680 -0.3654 -0.3654 -0.3652 -0.3652 0.2465 0.2465 0.2492 0.2492 0.3201 0.3201 0.3242 0.3242 0.5130 0.5130 0.5146 0.5146 3.6752 3.6752 3.6782 3.6782 4.4332 4.4332 4.4346 4.4346 14.6903 14.6903 14.7056 14.7056 15.3060 15.3060 15.3103 15.3103 k = 0.0714 0.3224 0.3058 ( 4436 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3410 -34.3410 -34.3409 -34.3409 -34.0578 -34.0578 -34.0578 -34.0578 -34.0475 -34.0475 -34.0475 -34.0475 -0.4746 -0.4746 -0.4719 -0.4719 -0.3666 -0.3666 -0.3664 -0.3664 0.2488 0.2488 0.2511 0.2511 0.3191 0.3191 0.3226 0.3226 0.5175 0.5175 0.5189 0.5189 3.6539 3.6539 3.6566 3.6566 4.4059 4.4059 4.4072 4.4072 14.6647 14.6647 14.6779 14.6779 15.3427 15.3427 15.3503 15.3503 k = 0.0612 0.3224 0.3058 ( 4440 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3409 -34.3409 -34.3409 -34.3409 -34.0578 -34.0578 -34.0578 -34.0578 -34.0474 -34.0474 -34.0474 -34.0474 -0.4778 -0.4778 -0.4754 -0.4754 -0.3677 -0.3677 -0.3675 -0.3675 0.2508 0.2508 0.2528 0.2528 0.3183 0.3183 0.3214 0.3214 0.5216 0.5216 0.5227 0.5227 3.6354 3.6354 3.6378 3.6378 4.3821 4.3821 4.3833 4.3833 14.6422 14.6422 14.6532 14.6532 15.3657 15.3657 15.3740 15.3740 k = 0.0510 0.3224 0.3058 ( 4436 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3409 -34.3409 -34.3409 -34.3409 -34.0578 -34.0578 -34.0578 -34.0578 -34.0473 -34.0473 -34.0473 -34.0473 -0.4805 -0.4805 -0.4785 -0.4785 -0.3687 -0.3687 -0.3685 -0.3685 0.2526 0.2526 0.2542 0.2542 0.3178 0.3178 0.3204 0.3204 0.5251 0.5251 0.5260 0.5260 3.6199 3.6199 3.6219 3.6219 4.3620 4.3620 4.3630 4.3630 14.6230 14.6230 14.6320 14.6320 15.3790 15.3790 15.3865 15.3865 k = 0.0408 0.3224 0.3058 ( 4448 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3409 -34.3409 -34.3408 -34.3408 -34.0578 -34.0578 -34.0578 -34.0578 -34.0473 -34.0473 -34.0472 -34.0472 -0.4828 -0.4828 -0.4812 -0.4812 -0.3695 -0.3695 -0.3693 -0.3693 0.2540 0.2540 0.2553 0.2553 0.3175 0.3175 0.3196 0.3196 0.5281 0.5281 0.5288 0.5288 3.6072 3.6072 3.6089 3.6089 4.3456 4.3456 4.3464 4.3464 14.6072 14.6072 14.6144 14.6144 15.3862 15.3862 15.3922 15.3922 k = 0.0306 0.3224 0.3058 ( 4440 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0578 -34.0578 -34.0578 -34.0578 -34.0472 -34.0472 -34.0472 -34.0472 -0.4846 -0.4846 -0.4834 -0.4834 -0.3701 -0.3701 -0.3700 -0.3700 0.2552 0.2552 0.2562 0.2562 0.3175 0.3175 0.3190 0.3190 0.5304 0.5304 0.5310 0.5310 3.5974 3.5974 3.5987 3.5987 4.3328 4.3328 4.3334 4.3334 14.5951 14.5951 14.6004 14.6004 15.3899 15.3899 15.3944 15.3944 k = 0.0204 0.3224 0.3058 ( 4432 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4859 -0.4859 -0.4851 -0.4851 -0.3705 -0.3705 -0.3705 -0.3705 0.2561 0.2561 0.2567 0.2567 0.3175 0.3175 0.3186 0.3186 0.5322 0.5322 0.5325 0.5325 3.5904 3.5904 3.5913 3.5913 4.3236 4.3236 4.3241 4.3241 14.5866 14.5866 14.5901 14.5901 15.3918 15.3918 15.3947 15.3947 k = 0.0102 0.3224 0.3058 ( 4428 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4866 -0.4866 -0.4862 -0.4862 -0.3708 -0.3708 -0.3707 -0.3707 0.2567 0.2567 0.2570 0.2570 0.3177 0.3177 0.3182 0.3182 0.5333 0.5333 0.5334 0.5334 3.5864 3.5864 3.5868 3.5868 4.3182 4.3182 4.3184 4.3184 14.5819 14.5819 14.5836 14.5836 15.3928 15.3928 15.3942 15.3942 k = 0.0000 0.3224 0.3058 ( 4424 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4867 -0.4867 -0.4867 -0.4867 -0.3709 -0.3709 -0.3709 -0.3709 0.2570 0.2570 0.2570 0.2570 0.3179 0.3179 0.3179 0.3179 0.5337 0.5337 0.5337 0.5337 3.5851 3.5851 3.5851 3.5851 4.3165 4.3165 4.3165 4.3165 14.5808 14.5808 14.5808 14.5808 15.3936 15.3936 15.3936 15.3936 k = 0.0000 0.3224 0.3058 ( 4424 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4867 -0.4867 -0.4867 -0.4867 -0.3709 -0.3709 -0.3709 -0.3709 0.2570 0.2570 0.2570 0.2570 0.3179 0.3179 0.3179 0.3179 0.5337 0.5337 0.5337 0.5337 3.5851 3.5851 3.5851 3.5851 4.3165 4.3165 4.3165 4.3165 14.5808 14.5808 14.5808 14.5808 15.3936 15.3936 15.3936 15.3936 k = 0.0000 0.3123 0.3058 ( 4428 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3409 -34.3409 -34.3406 -34.3406 -34.0580 -34.0580 -34.0576 -34.0576 -34.0471 -34.0471 -34.0470 -34.0470 -0.4879 -0.4879 -0.4855 -0.4855 -0.3731 -0.3731 -0.3687 -0.3687 0.2553 0.2553 0.2587 0.2587 0.3153 0.3153 0.3205 0.3205 0.5307 0.5307 0.5366 0.5366 3.4965 3.4965 3.6665 3.6665 4.2401 4.2401 4.4062 4.4062 14.5145 14.5145 14.6301 14.6301 15.3210 15.3210 15.4442 15.4442 k = 0.0000 0.3022 0.3058 ( 4430 PWs) bands (ev): -67.4035 -67.4035 -67.4034 -67.4034 -34.3410 -34.3410 -34.3405 -34.3405 -34.0582 -34.0582 -34.0574 -34.0574 -34.0471 -34.0471 -34.0470 -34.0470 -0.4891 -0.4891 -0.4842 -0.4842 -0.3755 -0.3755 -0.3666 -0.3666 0.2537 0.2537 0.2606 0.2606 0.3129 0.3129 0.3231 0.3231 0.5278 0.5278 0.5394 0.5394 3.4058 3.4058 3.7294 3.7294 4.1885 4.1885 4.5042 4.5042 14.4351 14.4351 14.6556 14.6556 15.2462 15.2462 15.3362 15.3362 k = 0.0000 0.2922 0.3058 ( 4442 PWs) bands (ev): -67.4036 -67.4036 -67.4034 -67.4034 -34.3412 -34.3412 -34.3404 -34.3404 -34.0584 -34.0584 -34.0572 -34.0572 -34.0472 -34.0472 -34.0470 -34.0470 -0.4903 -0.4903 -0.4829 -0.4829 -0.3780 -0.3780 -0.3647 -0.3647 0.2523 0.2523 0.2625 0.2625 0.3105 0.3105 0.3258 0.3258 0.5249 0.5249 0.5422 0.5422 3.3154 3.3154 3.7552 3.7552 4.1800 4.1800 4.6081 4.6081 14.3448 14.3448 14.6477 14.6477 15.1724 15.1724 15.1761 15.1761 k = 0.0000 0.2821 0.3058 ( 4444 PWs) bands (ev): -67.4036 -67.4036 -67.4034 -67.4034 -34.3413 -34.3413 -34.3403 -34.3403 -34.0586 -34.0586 -34.0570 -34.0570 -34.0472 -34.0472 -34.0470 -34.0470 -0.4914 -0.4914 -0.4816 -0.4816 -0.3804 -0.3804 -0.3630 -0.3630 0.2509 0.2509 0.2645 0.2645 0.3082 0.3082 0.3284 0.3284 0.5220 0.5220 0.5450 0.5450 3.2265 3.2265 3.7352 3.7352 4.2235 4.2235 4.7167 4.7167 14.2439 14.2439 14.5965 14.5965 15.0075 15.0075 15.1053 15.1053 k = 0.0000 0.2720 0.3058 ( 4428 PWs) bands (ev): -67.4036 -67.4036 -67.4034 -67.4034 -34.3414 -34.3414 -34.3401 -34.3401 -34.0587 -34.0587 -34.0568 -34.0568 -34.0472 -34.0472 -34.0470 -34.0470 -0.4926 -0.4926 -0.4802 -0.4802 -0.3829 -0.3829 -0.3614 -0.3614 0.2498 0.2498 0.2666 0.2666 0.3061 0.3061 0.3310 0.3310 0.5192 0.5192 0.5477 0.5477 3.1397 3.1397 3.6839 3.6839 4.3046 4.3046 4.8292 4.8292 14.1314 14.1314 14.4979 14.4979 14.8402 14.8402 15.0473 15.0473 k = 0.0000 0.2619 0.3058 ( 4424 PWs) bands (ev): -67.4036 -67.4036 -67.4033 -67.4033 -34.3415 -34.3415 -34.3400 -34.3400 -34.0589 -34.0589 -34.0566 -34.0566 -34.0472 -34.0472 -34.0470 -34.0470 -0.4937 -0.4937 -0.4788 -0.4788 -0.3854 -0.3854 -0.3601 -0.3601 0.2488 0.2488 0.2686 0.2686 0.3042 0.3042 0.3335 0.3335 0.5164 0.5164 0.5502 0.5502 3.0555 3.0555 3.6181 3.6181 4.4063 4.4063 4.9453 4.9453 14.0054 14.0054 14.3576 14.3576 14.6797 14.6797 14.9973 14.9973 k = 0.0000 0.2519 0.3058 ( 4420 PWs) bands (ev): -67.4037 -67.4037 -67.4033 -67.4033 -34.3416 -34.3416 -34.3399 -34.3399 -34.0591 -34.0591 -34.0564 -34.0564 -34.0472 -34.0472 -34.0470 -34.0470 -0.4949 -0.4949 -0.4773 -0.4773 -0.3879 -0.3879 -0.3590 -0.3590 0.2479 0.2479 0.2707 0.2707 0.3024 0.3024 0.3359 0.3359 0.5137 0.5137 0.5527 0.5527 2.9742 2.9742 3.5469 3.5469 4.5196 4.5196 5.0647 5.0647 13.8639 13.8639 14.1865 14.1865 14.5309 14.5309 14.9519 14.9519 k = 0.0000 0.2418 0.3058 ( 4420 PWs) bands (ev): -67.4037 -67.4037 -67.4033 -67.4033 -34.3417 -34.3417 -34.3398 -34.3398 -34.0592 -34.0592 -34.0562 -34.0562 -34.0473 -34.0473 -34.0470 -34.0470 -0.4960 -0.4960 -0.4758 -0.4758 -0.3903 -0.3903 -0.3581 -0.3581 0.2472 0.2472 0.2728 0.2728 0.3008 0.3008 0.3381 0.3381 0.5112 0.5112 0.5550 0.5550 2.8957 2.8957 3.4741 3.4741 4.6406 4.6406 5.1873 5.1873 13.7062 13.7062 13.9943 13.9943 14.3963 14.3963 14.9086 14.9086 k = 0.0000 0.2317 0.3058 ( 4420 PWs) bands (ev): -67.4037 -67.4037 -67.4033 -67.4033 -34.3418 -34.3418 -34.3396 -34.3396 -34.0594 -34.0594 -34.0560 -34.0560 -34.0473 -34.0473 -34.0470 -34.0470 -0.4971 -0.4971 -0.4742 -0.4742 -0.3927 -0.3927 -0.3575 -0.3575 0.2468 0.2468 0.2749 0.2749 0.2994 0.2994 0.3403 0.3403 0.5087 0.5087 0.5572 0.5572 2.8204 2.8204 3.4018 3.4018 4.7673 4.7673 5.3130 5.3130 13.5335 13.5335 13.7882 13.7882 14.2762 14.2762 14.8666 14.8666 k = 0.0000 0.2216 0.3058 ( 4416 PWs) bands (ev): -67.4037 -67.4037 -67.4032 -67.4032 -34.3419 -34.3419 -34.3395 -34.3395 -34.0595 -34.0595 -34.0557 -34.0557 -34.0474 -34.0474 -34.0470 -34.0470 -0.4982 -0.4982 -0.4725 -0.4725 -0.3951 -0.3951 -0.3572 -0.3572 0.2464 0.2464 0.2769 0.2769 0.2982 0.2982 0.3422 0.3422 0.5064 0.5064 0.5592 0.5592 2.7482 2.7482 3.3309 3.3309 4.8988 4.8988 5.4415 5.4415 13.3485 13.3485 13.5727 13.5727 14.1690 14.1690 14.8257 14.8257 k = 0.0000 0.2116 0.3058 ( 4408 PWs) bands (ev): -67.4038 -67.4038 -67.4032 -67.4032 -34.3420 -34.3420 -34.3394 -34.3394 -34.0596 -34.0596 -34.0555 -34.0555 -34.0474 -34.0474 -34.0470 -34.0470 -0.4993 -0.4993 -0.4708 -0.4708 -0.3973 -0.3973 -0.3572 -0.3572 0.2463 0.2463 0.2788 0.2788 0.2973 0.2973 0.3440 0.3440 0.5042 0.5042 0.5611 0.5611 2.6793 2.6793 3.2621 3.2621 5.0343 5.0343 5.5730 5.5730 13.1543 13.1543 13.3511 13.3511 14.0726 14.0726 14.7860 14.7860 k = 0.0000 0.2015 0.3058 ( 4404 PWs) bands (ev): -67.4038 -67.4038 -67.4032 -67.4032 -34.3421 -34.3421 -34.3393 -34.3393 -34.0598 -34.0598 -34.0553 -34.0553 -34.0474 -34.0474 -34.0470 -34.0470 -0.5003 -0.5003 -0.4689 -0.4689 -0.3995 -0.3995 -0.3574 -0.3574 0.2464 0.2464 0.2805 0.2805 0.2967 0.2967 0.3455 0.3455 0.5023 0.5023 0.5628 0.5628 2.6136 2.6136 3.1957 3.1957 5.1736 5.1736 5.7073 5.7073 12.9535 12.9535 13.1257 13.1257 13.9849 13.9849 14.7477 14.7477 k = 0.0000 0.1914 0.3058 ( 4404 PWs) bands (ev): -67.4038 -67.4038 -67.4032 -67.4032 -34.3422 -34.3422 -34.3392 -34.3392 -34.0599 -34.0599 -34.0551 -34.0551 -34.0475 -34.0475 -34.0470 -34.0470 -0.5014 -0.5014 -0.4669 -0.4669 -0.4017 -0.4017 -0.3579 -0.3579 0.2467 0.2467 0.2820 0.2820 0.2963 0.2963 0.3468 0.3468 0.5005 0.5005 0.5642 0.5642 2.5511 2.5511 3.1319 3.1319 5.3165 5.3165 5.8443 5.8443 12.7482 12.7482 12.8979 12.8979 13.9045 13.9045 14.7109 14.7109 k = 0.0000 0.1813 0.3058 ( 4402 PWs) bands (ev): -67.4038 -67.4038 -67.4031 -67.4031 -34.3423 -34.3423 -34.3391 -34.3391 -34.0600 -34.0600 -34.0549 -34.0549 -34.0475 -34.0475 -34.0470 -34.0470 -0.5024 -0.5024 -0.4649 -0.4649 -0.4037 -0.4037 -0.3587 -0.3587 0.2472 0.2472 0.2832 0.2832 0.2963 0.2963 0.3480 0.3480 0.4989 0.4989 0.5655 0.5655 2.4920 2.4920 3.0709 3.0709 5.4627 5.4627 5.9841 5.9841 12.5399 12.5399 12.6690 12.6690 13.8300 13.8300 14.6757 14.6757 k = 0.0000 0.1713 0.3058 ( 4406 PWs) bands (ev): -67.4039 -67.4039 -67.4031 -67.4031 -34.3424 -34.3424 -34.3390 -34.3390 -34.0602 -34.0602 -34.0547 -34.0547 -34.0476 -34.0476 -34.0471 -34.0471 -0.5034 -0.5034 -0.4627 -0.4627 -0.4057 -0.4057 -0.3598 -0.3598 0.2478 0.2478 0.2842 0.2842 0.2967 0.2967 0.3488 0.3488 0.4976 0.4976 0.5666 0.5666 2.4361 2.4361 3.0127 3.0127 5.6121 5.6121 6.1265 6.1265 12.3297 12.3297 12.4400 12.4400 13.7609 13.7609 14.6423 14.6423 k = 0.0000 0.1612 0.3058 ( 4400 PWs) bands (ev): -67.4039 -67.4039 -67.4031 -67.4031 -34.3425 -34.3425 -34.3389 -34.3389 -34.0603 -34.0603 -34.0545 -34.0545 -34.0476 -34.0476 -34.0471 -34.0471 -0.5043 -0.5043 -0.4604 -0.4604 -0.4075 -0.4075 -0.3612 -0.3612 0.2486 0.2486 0.2848 0.2848 0.2974 0.2974 0.3495 0.3495 0.4964 0.4964 0.5675 0.5675 2.3836 2.3836 2.9576 2.9576 5.7646 5.7646 6.2716 6.2716 12.1182 12.1182 12.2117 12.2117 13.6966 13.6966 14.6107 14.6107 k = 0.0000 0.1511 0.3058 ( 4410 PWs) bands (ev): -67.4039 -67.4039 -67.4031 -67.4031 -34.3426 -34.3426 -34.3388 -34.3388 -34.0604 -34.0604 -34.0544 -34.0544 -34.0477 -34.0477 -34.0471 -34.0471 -0.5053 -0.5053 -0.4580 -0.4580 -0.4093 -0.4093 -0.3628 -0.3628 0.2496 0.2496 0.2851 0.2851 0.2984 0.2984 0.3499 0.3499 0.4955 0.4955 0.5682 0.5682 2.3344 2.3344 2.9055 2.9055 5.9201 5.9201 6.4194 6.4194 11.9056 11.9056 11.9849 11.9849 13.6366 13.6366 14.5810 14.5810 k = 0.0000 0.1410 0.3058 ( 4406 PWs) bands (ev): -67.4039 -67.4039 -67.4031 -67.4031 -34.3426 -34.3426 -34.3387 -34.3387 -34.0605 -34.0605 -34.0542 -34.0542 -34.0478 -34.0478 -34.0471 -34.0471 -0.5062 -0.5062 -0.4555 -0.4555 -0.4109 -0.4109 -0.3647 -0.3647 0.2507 0.2507 0.2854 0.2854 0.2995 0.2995 0.3502 0.3502 0.4949 0.4949 0.5687 0.5687 2.2885 2.2885 2.8565 2.8565 6.0786 6.0786 6.5697 6.5697 11.6920 11.6920 11.7606 11.7606 13.5809 13.5809 14.5531 14.5531 k = 0.0000 0.1310 0.3058 ( 4408 PWs) bands (ev): -67.4039 -67.4039 -67.4030 -67.4030 -34.3427 -34.3427 -34.3386 -34.3386 -34.0606 -34.0606 -34.0540 -34.0540 -34.0478 -34.0478 -34.0471 -34.0471 -0.5070 -0.5070 -0.4528 -0.4528 -0.4125 -0.4125 -0.3669 -0.3669 0.2520 0.2520 0.2854 0.2854 0.3007 0.3007 0.3502 0.3502 0.4945 0.4945 0.5690 0.5690 2.2459 2.2459 2.8107 2.8107 6.2398 6.2398 6.7226 6.7226 11.4771 11.4771 11.5397 11.5397 13.5293 13.5293 14.5271 14.5271 k = 0.0000 0.1209 0.3058 ( 4416 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3428 -34.3428 -34.3386 -34.3386 -34.0607 -34.0607 -34.0539 -34.0539 -34.0479 -34.0479 -34.0471 -34.0471 -0.5078 -0.5078 -0.4500 -0.4500 -0.4139 -0.4139 -0.3692 -0.3692 0.2533 0.2533 0.2855 0.2855 0.3018 0.3018 0.3500 0.3500 0.4942 0.4942 0.5691 0.5691 2.2065 2.2065 2.7682 2.7682 6.4036 6.4036 6.8781 6.8781 11.2609 11.2609 11.3227 11.3227 13.4815 13.4815 14.5031 14.5031 k = 0.0000 0.1108 0.3058 ( 4420 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3429 -34.3429 -34.3385 -34.3385 -34.0608 -34.0608 -34.0537 -34.0537 -34.0480 -34.0480 -34.0472 -34.0472 -0.5086 -0.5086 -0.4471 -0.4471 -0.4153 -0.4153 -0.3718 -0.3718 0.2548 0.2548 0.2855 0.2855 0.3029 0.3029 0.3497 0.3497 0.4942 0.4942 0.5690 0.5690 2.1705 2.1705 2.7289 2.7289 6.5700 6.5700 7.0361 7.0361 11.0439 11.0439 11.1098 11.1098 13.4377 13.4377 14.4809 14.4809 k = 0.0000 0.1007 0.3058 ( 4410 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3429 -34.3429 -34.3384 -34.3384 -34.0608 -34.0608 -34.0535 -34.0535 -34.0481 -34.0481 -34.0472 -34.0472 -0.5093 -0.5093 -0.4441 -0.4441 -0.4165 -0.4165 -0.3745 -0.3745 0.2563 0.2563 0.2854 0.2854 0.3040 0.3040 0.3493 0.3493 0.4944 0.4944 0.5688 0.5688 2.1376 2.1376 2.6929 2.6929 6.7388 6.7388 7.1966 7.1966 10.8270 10.8270 10.9004 10.9004 13.3977 13.3977 14.4608 14.4608 k = 0.0000 0.0907 0.3058 ( 4406 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3429 -34.3429 -34.3384 -34.3384 -34.0609 -34.0609 -34.0534 -34.0534 -34.0481 -34.0481 -34.0472 -34.0472 -0.5100 -0.5100 -0.4410 -0.4410 -0.4176 -0.4176 -0.3774 -0.3774 0.2578 0.2578 0.2854 0.2854 0.3049 0.3049 0.3488 0.3488 0.4947 0.4947 0.5685 0.5685 2.1080 2.1080 2.6602 2.6602 6.9097 6.9097 7.3595 7.3595 10.6112 10.6112 10.6939 10.6939 13.3615 13.3615 14.4425 14.4425 k = 0.0000 0.0806 0.3058 ( 4408 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3430 -34.3430 -34.3383 -34.3383 -34.0610 -34.0610 -34.0532 -34.0532 -34.0482 -34.0482 -34.0472 -34.0472 -0.5106 -0.5106 -0.4377 -0.4377 -0.4186 -0.4186 -0.3805 -0.3805 0.2593 0.2593 0.2854 0.2854 0.3056 0.3056 0.3483 0.3483 0.4951 0.4951 0.5681 0.5681 2.0816 2.0816 2.6309 2.6309 7.0824 7.0824 7.5249 7.5249 10.3976 10.3976 10.4900 10.4900 13.3291 13.3291 14.4262 14.4262 k = 0.0000 0.0705 0.3058 ( 4406 PWs) bands (ev): -67.4040 -67.4040 -67.4030 -67.4030 -34.3430 -34.3430 -34.3383 -34.3383 -34.0610 -34.0610 -34.0531 -34.0531 -34.0482 -34.0482 -34.0472 -34.0472 -0.5111 -0.5111 -0.4344 -0.4344 -0.4195 -0.4195 -0.3837 -0.3837 0.2608 0.2608 0.2854 0.2854 0.3063 0.3063 0.3477 0.3477 0.4957 0.4957 0.5676 0.5676 2.0584 2.0584 2.6049 2.6049 7.2564 7.2564 7.6927 7.6927 10.1870 10.1870 10.2885 10.2885 13.3006 13.3006 14.4117 14.4117 k = 0.0000 0.0604 0.3058 ( 4406 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3382 -34.3382 -34.0611 -34.0611 -34.0530 -34.0530 -34.0483 -34.0483 -34.0472 -34.0472 -0.5116 -0.5116 -0.4310 -0.4310 -0.4202 -0.4202 -0.3870 -0.3870 0.2622 0.2622 0.2853 0.2853 0.3068 0.3068 0.3471 0.3471 0.4962 0.4962 0.5671 0.5671 2.0383 2.0383 2.5824 2.5824 7.4310 7.4310 7.8629 7.8629 9.9804 9.9804 10.0892 10.0892 13.2758 13.2758 14.3993 14.3993 k = 0.0000 0.0504 0.3058 ( 4406 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3382 -34.3382 -34.0611 -34.0611 -34.0529 -34.0529 -34.0483 -34.0483 -34.0472 -34.0472 -0.5120 -0.5120 -0.4276 -0.4276 -0.4208 -0.4208 -0.3905 -0.3905 0.2635 0.2635 0.2853 0.2853 0.3071 0.3071 0.3465 0.3465 0.4968 0.4968 0.5665 0.5665 2.0213 2.0213 2.5633 2.5633 7.6050 7.6050 8.0353 8.0353 9.7791 9.7791 9.8922 9.8922 13.2548 13.2548 14.3887 14.3887 k = 0.0000 0.0403 0.3058 ( 4404 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3382 -34.3382 -34.0611 -34.0611 -34.0528 -34.0528 -34.0484 -34.0484 -34.0472 -34.0472 -0.5123 -0.5123 -0.4243 -0.4243 -0.4212 -0.4212 -0.3940 -0.3940 0.2646 0.2646 0.2853 0.2853 0.3074 0.3074 0.3461 0.3461 0.4973 0.4973 0.5660 0.5660 2.0075 2.0075 2.5477 2.5477 7.7762 7.7762 8.2100 8.2100 9.5854 9.5854 9.6974 9.6974 13.2377 13.2377 14.3801 14.3801 k = 0.0000 0.0302 0.3058 ( 4408 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3382 -34.3382 -34.0612 -34.0612 -34.0528 -34.0528 -34.0484 -34.0484 -34.0472 -34.0472 -0.5126 -0.5126 -0.4224 -0.4224 -0.4199 -0.4199 -0.3975 -0.3975 0.2655 0.2655 0.2852 0.2852 0.3076 0.3076 0.3457 0.3457 0.4978 0.4978 0.5656 0.5656 1.9967 1.9967 2.5355 2.5355 7.9404 7.9404 8.3867 8.3867 9.4036 9.4036 9.5051 9.5051 13.2243 13.2243 14.3734 14.3734 k = 0.0000 0.0201 0.3058 ( 4400 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5128 -0.5128 -0.4224 -0.4224 -0.4166 -0.4166 -0.4010 -0.4010 0.2662 0.2662 0.2852 0.2852 0.3077 0.3077 0.3454 0.3454 0.4981 0.4981 0.5653 0.5653 1.9891 1.9891 2.5268 2.5268 8.0888 8.0888 8.5650 8.5650 9.2426 9.2426 9.3158 9.3158 13.2148 13.2148 14.3686 14.3686 k = 0.0000 0.0101 0.3058 ( 4396 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5129 -0.5129 -0.4226 -0.4226 -0.4134 -0.4134 -0.4043 -0.4043 0.2666 0.2666 0.2852 0.2852 0.3078 0.3078 0.3452 0.3452 0.4984 0.4984 0.5651 0.5651 1.9845 1.9845 2.5216 2.5216 8.2022 8.2022 8.7428 8.7428 9.1190 9.1190 9.1338 9.1338 13.2090 13.2090 14.3657 14.3657 k = 0.0000 0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4040 -67.4040 -67.4029 -67.4029 -34.3431 -34.3431 -34.3381 -34.3381 -34.0612 -34.0612 -34.0527 -34.0527 -34.0484 -34.0484 -34.0472 -34.0472 -0.5129 -0.5129 -0.4226 -0.4226 -0.4115 -0.4115 -0.4062 -0.4062 0.2668 0.2668 0.2852 0.2852 0.3078 0.3078 0.3451 0.3451 0.4984 0.4984 0.5650 0.5650 1.9830 1.9830 2.5198 2.5198 8.2474 8.2474 8.8787 8.8787 8.9921 8.9921 9.0750 9.0750 13.2071 13.2071 14.3648 14.3648 k = 0.0000 0.3224-0.0000 ( 4420 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4784 -0.4784 -0.4784 -0.4784 -0.3913 -0.3913 -0.3913 -0.3913 0.2580 0.2580 0.2580 0.2580 0.3391 0.3391 0.3391 0.3391 0.5345 0.5345 0.5345 0.5345 2.3956 2.3956 2.3956 2.3956 7.7503 7.7503 7.7503 7.7503 8.9920 8.9920 8.9920 8.9920 14.9676 14.9676 14.9676 14.9676 k = 0.0000 0.3224 0.0102 ( 4424 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4784 -0.4784 -0.4784 -0.4784 -0.3912 -0.3912 -0.3912 -0.3912 0.2580 0.2580 0.2580 0.2580 0.3390 0.3390 0.3390 0.3390 0.5345 0.5345 0.5345 0.5345 2.3973 2.3973 2.3973 2.3973 7.7240 7.7240 7.7240 7.7240 9.0210 9.0210 9.0210 9.0210 14.9685 14.9685 14.9685 14.9685 k = 0.0000 0.3224 0.0204 ( 4424 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4785 -0.4785 -0.4785 -0.4785 -0.3910 -0.3910 -0.3910 -0.3910 0.2579 0.2579 0.2579 0.2579 0.3388 0.3388 0.3388 0.3388 0.5345 0.5345 0.5345 0.5345 2.4024 2.4024 2.4024 2.4024 7.6514 7.6514 7.6514 7.6514 9.1015 9.1015 9.1015 9.1015 14.9712 14.9712 14.9712 14.9712 k = 0.0000 0.3224 0.0306 ( 4420 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4786 -0.4786 -0.4786 -0.4786 -0.3907 -0.3907 -0.3907 -0.3907 0.2579 0.2579 0.2579 0.2579 0.3386 0.3386 0.3386 0.3386 0.5344 0.5344 0.5344 0.5344 2.4109 2.4109 2.4109 2.4109 7.5460 7.5460 7.5460 7.5460 9.2203 9.2203 9.2203 9.2203 14.9757 14.9757 14.9757 14.9757 k = 0.0000 0.3224 0.0408 ( 4426 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4788 -0.4788 -0.4788 -0.4788 -0.3903 -0.3903 -0.3903 -0.3903 0.2578 0.2578 0.2578 0.2578 0.3382 0.3382 0.3382 0.3382 0.5343 0.5343 0.5343 0.5343 2.4229 2.4229 2.4229 2.4229 7.4199 7.4199 7.4199 7.4199 9.3651 9.3651 9.3651 9.3651 14.9821 14.9821 14.9821 14.9821 k = 0.0000 0.3224 0.0510 ( 4428 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4790 -0.4790 -0.4790 -0.4790 -0.3897 -0.3897 -0.3897 -0.3897 0.2576 0.2576 0.2576 0.2576 0.3377 0.3377 0.3377 0.3377 0.5342 0.5342 0.5342 0.5342 2.4382 2.4382 2.4382 2.4382 7.2816 7.2816 7.2816 7.2816 9.5274 9.5274 9.5274 9.5274 14.9902 14.9902 14.9902 14.9902 k = 0.0000 0.3224 0.0612 ( 4432 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4793 -0.4793 -0.4793 -0.4793 -0.3891 -0.3891 -0.3891 -0.3891 0.2575 0.2575 0.2575 0.2575 0.3372 0.3372 0.3372 0.3372 0.5340 0.5340 0.5340 0.5340 2.4568 2.4568 2.4568 2.4568 7.1365 7.1365 7.1365 7.1365 9.7018 9.7018 9.7018 9.7018 15.0000 15.0000 15.0000 15.0000 k = 0.0000 0.3224 0.0713 ( 4426 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0577 -34.0577 -34.0577 -34.0577 -34.0472 -34.0472 -34.0472 -34.0472 -0.4795 -0.4795 -0.4795 -0.4795 -0.3883 -0.3883 -0.3883 -0.3883 0.2574 0.2574 0.2574 0.2574 0.3365 0.3365 0.3365 0.3365 0.5339 0.5339 0.5339 0.5339 2.4788 2.4788 2.4788 2.4788 6.9878 6.9878 6.9878 6.9878 9.8852 9.8852 9.8852 9.8852 15.0117 15.0117 15.0117 15.0117 k = 0.0000 0.3224 0.0815 ( 4418 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4799 -0.4799 -0.4799 -0.4799 -0.3875 -0.3875 -0.3875 -0.3875 0.2572 0.2572 0.2572 0.2572 0.3358 0.3358 0.3358 0.3358 0.5338 0.5338 0.5338 0.5338 2.5041 2.5041 2.5041 2.5041 6.8375 6.8375 6.8375 6.8375 10.0754 10.0754 10.0754 10.0754 15.0249 15.0249 15.0249 15.0249 k = 0.0000 0.3224 0.0917 ( 4410 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4802 -0.4802 -0.4802 -0.4802 -0.3866 -0.3866 -0.3866 -0.3866 0.2571 0.2571 0.2571 0.2571 0.3349 0.3349 0.3349 0.3349 0.5336 0.5336 0.5336 0.5336 2.5327 2.5327 2.5327 2.5327 6.6869 6.6869 6.6869 6.6869 10.2713 10.2713 10.2713 10.2713 15.0398 15.0398 15.0398 15.0398 k = 0.0000 0.3224 0.1019 ( 4410 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4806 -0.4806 -0.4806 -0.4806 -0.3856 -0.3856 -0.3856 -0.3856 0.2569 0.2569 0.2569 0.2569 0.3340 0.3340 0.3340 0.3340 0.5335 0.5335 0.5335 0.5335 2.5645 2.5645 2.5645 2.5645 6.5369 6.5369 6.5369 6.5369 10.4717 10.4717 10.4717 10.4717 15.0563 15.0563 15.0563 15.0563 k = 0.0000 0.3224 0.1121 ( 4408 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4810 -0.4810 -0.4810 -0.4810 -0.3846 -0.3846 -0.3846 -0.3846 0.2568 0.2568 0.2568 0.2568 0.3331 0.3331 0.3331 0.3331 0.5334 0.5334 0.5334 0.5334 2.5996 2.5996 2.5996 2.5996 6.3882 6.3882 6.3882 6.3882 10.6763 10.6763 10.6763 10.6763 15.0742 15.0742 15.0742 15.0742 k = 0.0000 0.3224 0.1223 ( 4412 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4814 -0.4814 -0.4814 -0.4814 -0.3835 -0.3835 -0.3835 -0.3835 0.2566 0.2566 0.2566 0.2566 0.3321 0.3321 0.3321 0.3321 0.5333 0.5333 0.5333 0.5333 2.6378 2.6378 2.6378 2.6378 6.2412 6.2412 6.2412 6.2412 10.8843 10.8843 10.8843 10.8843 15.0936 15.0936 15.0936 15.0936 k = 0.0000 0.3224 0.1325 ( 4404 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4818 -0.4818 -0.4818 -0.4818 -0.3824 -0.3824 -0.3824 -0.3824 0.2565 0.2565 0.2565 0.2565 0.3310 0.3310 0.3310 0.3310 0.5332 0.5332 0.5332 0.5332 2.6791 2.6791 2.6791 2.6791 6.0962 6.0962 6.0962 6.0962 11.0956 11.0956 11.0956 11.0956 15.1143 15.1143 15.1143 15.1143 k = 0.0000 0.3224 0.1427 ( 4398 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4823 -0.4823 -0.4823 -0.4823 -0.3814 -0.3814 -0.3814 -0.3814 0.2564 0.2564 0.2564 0.2564 0.3300 0.3300 0.3300 0.3300 0.5331 0.5331 0.5331 0.5331 2.7235 2.7235 2.7235 2.7235 5.9535 5.9535 5.9535 5.9535 11.3098 11.3098 11.3098 11.3098 15.1362 15.1362 15.1362 15.1362 k = 0.0000 0.3224 0.1529 ( 4402 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4827 -0.4827 -0.4827 -0.4827 -0.3803 -0.3803 -0.3803 -0.3803 0.2563 0.2563 0.2563 0.2563 0.3289 0.3289 0.3289 0.3289 0.5331 0.5331 0.5331 0.5331 2.7708 2.7708 2.7708 2.7708 5.8134 5.8134 5.8134 5.8134 11.5266 11.5266 11.5266 11.5266 15.1591 15.1591 15.1591 15.1591 k = 0.0000 0.3224 0.1631 ( 4400 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4831 -0.4831 -0.4831 -0.4831 -0.3792 -0.3792 -0.3792 -0.3792 0.2563 0.2563 0.2563 0.2563 0.3278 0.3278 0.3278 0.3278 0.5331 0.5331 0.5331 0.5331 2.8211 2.8211 2.8211 2.8211 5.6759 5.6759 5.6759 5.6759 11.7458 11.7458 11.7458 11.7458 15.1829 15.1829 15.1829 15.1829 k = 0.0000 0.3224 0.1733 ( 4398 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4835 -0.4835 -0.4835 -0.4835 -0.3782 -0.3782 -0.3782 -0.3782 0.2563 0.2563 0.2563 0.2563 0.3267 0.3267 0.3267 0.3267 0.5331 0.5331 0.5331 0.5331 2.8742 2.8742 2.8742 2.8742 5.5415 5.5415 5.5415 5.5415 11.9671 11.9671 11.9671 11.9671 15.2074 15.2074 15.2074 15.2074 k = 0.0000 0.3224 0.1835 ( 4398 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4839 -0.4839 -0.4839 -0.4839 -0.3772 -0.3772 -0.3772 -0.3772 0.2563 0.2563 0.2563 0.2563 0.3256 0.3256 0.3256 0.3256 0.5331 0.5331 0.5331 0.5331 2.9300 2.9300 2.9300 2.9300 5.4101 5.4101 5.4101 5.4101 12.1905 12.1905 12.1905 12.1905 15.2324 15.2324 15.2324 15.2324 k = 0.0000 0.3224 0.1937 ( 4402 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4843 -0.4843 -0.4843 -0.4843 -0.3763 -0.3763 -0.3763 -0.3763 0.2563 0.2563 0.2563 0.2563 0.3245 0.3245 0.3245 0.3245 0.5331 0.5331 0.5331 0.5331 2.9883 2.9883 2.9883 2.9883 5.2821 5.2821 5.2821 5.2821 12.4155 12.4155 12.4155 12.4155 15.2576 15.2576 15.2576 15.2576 k = 0.0000 0.3224 0.2038 ( 4402 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0471 -34.0471 -34.0471 -34.0471 -0.4847 -0.4847 -0.4847 -0.4847 -0.3754 -0.3754 -0.3754 -0.3754 0.2563 0.2563 0.2563 0.2563 0.3235 0.3235 0.3235 0.3235 0.5332 0.5332 0.5332 0.5332 3.0490 3.0490 3.0490 3.0490 5.1577 5.1577 5.1577 5.1577 12.6419 12.6419 12.6419 12.6419 15.2826 15.2826 15.2826 15.2826 k = 0.0000 0.3224 0.2140 ( 4402 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0577 -34.0577 -34.0577 -34.0577 -34.0470 -34.0470 -34.0470 -34.0470 -0.4851 -0.4851 -0.4851 -0.4851 -0.3746 -0.3746 -0.3746 -0.3746 0.2564 0.2564 0.2564 0.2564 0.3225 0.3225 0.3225 0.3225 0.5332 0.5332 0.5332 0.5332 3.1117 3.1117 3.1117 3.1117 5.0372 5.0372 5.0372 5.0372 12.8693 12.8693 12.8693 12.8693 15.3072 15.3072 15.3072 15.3072 k = 0.0000 0.3224 0.2242 ( 4410 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4854 -0.4854 -0.4854 -0.4854 -0.3738 -0.3738 -0.3738 -0.3738 0.2565 0.2565 0.2565 0.2565 0.3216 0.3216 0.3216 0.3216 0.5333 0.5333 0.5333 0.5333 3.1762 3.1762 3.1762 3.1762 4.9209 4.9209 4.9209 4.9209 13.0972 13.0972 13.0972 13.0972 15.3309 15.3309 15.3309 15.3309 k = 0.0000 0.3224 0.2344 ( 4412 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4857 -0.4857 -0.4857 -0.4857 -0.3731 -0.3731 -0.3731 -0.3731 0.2565 0.2565 0.2565 0.2565 0.3208 0.3208 0.3208 0.3208 0.5334 0.5334 0.5334 0.5334 3.2418 3.2418 3.2418 3.2418 4.8096 4.8096 4.8096 4.8096 13.3249 13.3249 13.3249 13.3249 15.3532 15.3532 15.3532 15.3532 k = 0.0000 0.3224 0.2446 ( 4412 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4859 -0.4859 -0.4859 -0.4859 -0.3725 -0.3725 -0.3725 -0.3725 0.2566 0.2566 0.2566 0.2566 0.3201 0.3201 0.3201 0.3201 0.5334 0.5334 0.5334 0.5334 3.3079 3.3079 3.3079 3.3079 4.7038 4.7038 4.7038 4.7038 13.5513 13.5513 13.5513 13.5513 15.3736 15.3736 15.3736 15.3736 k = 0.0000 0.3224 0.2548 ( 4416 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4862 -0.4862 -0.4862 -0.4862 -0.3720 -0.3720 -0.3720 -0.3720 0.2567 0.2567 0.2567 0.2567 0.3194 0.3194 0.3194 0.3194 0.5335 0.5335 0.5335 0.5335 3.3731 3.3731 3.3731 3.3731 4.6050 4.6050 4.6050 4.6050 13.7749 13.7749 13.7749 13.7749 15.3912 15.3912 15.3912 15.3912 k = 0.0000 0.3224 0.2650 ( 4420 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4863 -0.4863 -0.4863 -0.4863 -0.3716 -0.3716 -0.3716 -0.3716 0.2568 0.2568 0.2568 0.2568 0.3189 0.3189 0.3189 0.3189 0.5335 0.5335 0.5335 0.5335 3.4358 3.4358 3.4358 3.4358 4.5147 4.5147 4.5147 4.5147 13.9928 13.9928 13.9928 13.9928 15.4052 15.4052 15.4052 15.4052 k = 0.0000 0.3224 0.2752 ( 4416 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4865 -0.4865 -0.4865 -0.4865 -0.3713 -0.3713 -0.3713 -0.3713 0.2569 0.2569 0.2569 0.2569 0.3185 0.3185 0.3185 0.3185 0.5336 0.5336 0.5336 0.5336 3.4932 3.4932 3.4932 3.4932 4.4360 4.4360 4.4360 4.4360 14.1997 14.1997 14.1997 14.1997 15.4140 15.4140 15.4140 15.4140 k = 0.0000 0.3224 0.2854 ( 4420 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3407 -34.3407 -34.3407 -34.3407 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4866 -0.4866 -0.4866 -0.4866 -0.3710 -0.3710 -0.3710 -0.3710 0.2569 0.2569 0.2569 0.2569 0.3182 0.3182 0.3182 0.3182 0.5336 0.5336 0.5336 0.5336 3.5409 3.5409 3.5409 3.5409 4.3729 4.3729 4.3729 4.3729 14.3849 14.3849 14.3849 14.3849 15.4145 15.4145 15.4145 15.4145 k = 0.0000 0.3224 0.2956 ( 4424 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4867 -0.4867 -0.4867 -0.4867 -0.3709 -0.3709 -0.3709 -0.3709 0.2569 0.2569 0.2569 0.2569 0.3180 0.3180 0.3180 0.3180 0.5337 0.5337 0.5337 0.5337 3.5735 3.5735 3.5735 3.5735 4.3312 4.3312 4.3312 4.3312 14.5253 14.5253 14.5253 14.5253 15.4037 15.4037 15.4037 15.4037 k = 0.0000 0.3224 0.3058 ( 4424 PWs) bands (ev): -67.4035 -67.4035 -67.4035 -67.4035 -34.3408 -34.3408 -34.3408 -34.3408 -34.0578 -34.0578 -34.0578 -34.0578 -34.0471 -34.0471 -34.0471 -34.0471 -0.4867 -0.4867 -0.4867 -0.4867 -0.3709 -0.3709 -0.3709 -0.3709 0.2570 0.2570 0.2570 0.2570 0.3179 0.3179 0.3179 0.3179 0.5337 0.5337 0.5337 0.5337 3.5851 3.5851 3.5851 3.5851 4.3165 4.3165 4.3165 4.3165 14.5808 14.5808 14.5808 14.5808 15.3936 15.3936 15.3936 15.3936 k = 0.5000-0.0000 0.3058 ( 4400 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4733 -0.4733 -0.4246 -0.4246 -0.4170 -0.4170 -0.3803 -0.3803 0.0860 0.0860 0.1875 0.1875 0.3455 0.3455 0.4810 0.4810 0.4834 0.4834 0.6656 0.6656 5.6787 5.6787 6.0917 6.0917 6.2925 6.2925 6.8406 6.8406 11.4121 11.4121 12.1138 12.1138 12.2218 12.2218 12.4775 12.4775 k = 0.5000-0.0000 0.2956 ( 4402 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4734 -0.4734 -0.4248 -0.4248 -0.4170 -0.4170 -0.3802 -0.3802 0.0858 0.0858 0.1875 0.1875 0.3456 0.3456 0.4808 0.4808 0.4837 0.4837 0.6658 0.6658 5.6637 5.6637 6.1089 6.1089 6.2772 6.2772 6.8595 6.8595 11.4025 11.4025 12.1038 12.1038 12.2202 12.2202 12.4890 12.4890 k = 0.5000-0.0000 0.2854 ( 4406 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4737 -0.4737 -0.4252 -0.4252 -0.4168 -0.4168 -0.3800 -0.3800 0.0854 0.0854 0.1877 0.1877 0.3457 0.3457 0.4801 0.4801 0.4843 0.4843 0.6665 0.6665 5.6249 5.6249 6.1502 6.1502 6.2413 6.2413 6.9108 6.9108 11.3749 11.3749 12.0768 12.0768 12.2153 12.2153 12.5155 12.5155 k = 0.5000-0.0000 0.2752 ( 4410 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3421 -34.3421 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4741 -0.4741 -0.4258 -0.4258 -0.4166 -0.4166 -0.3797 -0.3797 0.0846 0.0846 0.1880 0.1880 0.3459 0.3459 0.4789 0.4789 0.4854 0.4854 0.6676 0.6676 5.5729 5.5729 6.1517 6.1517 6.2481 6.2481 6.9842 6.9842 11.3326 11.3326 12.0385 12.0385 12.2074 12.2074 12.4997 12.4997 k = 0.5000-0.0000 0.2650 ( 4406 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4747 -0.4747 -0.4266 -0.4266 -0.4163 -0.4163 -0.3793 -0.3793 0.0836 0.0836 0.1884 0.1884 0.3461 0.3461 0.4774 0.4774 0.4869 0.4869 0.6690 0.6690 5.5152 5.5152 6.0908 6.0908 6.3210 6.3210 7.0714 7.0714 11.2795 11.2795 11.9940 11.9940 12.1967 12.1967 12.4586 12.4586 k = 0.5000-0.0000 0.2548 ( 4406 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4754 -0.4754 -0.4275 -0.4275 -0.4161 -0.4161 -0.3788 -0.3788 0.0823 0.0823 0.1889 0.1889 0.3464 0.3464 0.4756 0.4756 0.4888 0.4888 0.6709 0.6709 5.4556 5.4556 6.0192 6.0192 6.4092 6.4092 7.1678 7.1678 11.2189 11.2189 11.9467 11.9467 12.1834 12.1834 12.4093 12.4093 k = 0.5000-0.0000 0.2446 ( 4398 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0513 -34.0513 -0.4763 -0.4763 -0.4286 -0.4286 -0.4160 -0.4160 -0.3781 -0.3781 0.0808 0.0808 0.1895 0.1895 0.3467 0.3467 0.4735 0.4735 0.4910 0.4910 0.6730 0.6730 5.3962 5.3962 5.9450 5.9450 6.5052 6.5052 7.2705 7.2705 11.1537 11.1537 11.8986 11.8986 12.1681 12.1681 12.3550 12.3550 k = 0.5000-0.0000 0.2344 ( 4402 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0568 -34.0568 -34.0566 -34.0566 -34.0514 -34.0514 -0.4773 -0.4773 -0.4297 -0.4297 -0.4160 -0.4160 -0.3773 -0.3773 0.0791 0.0791 0.1902 0.1902 0.3470 0.3470 0.4712 0.4712 0.4935 0.4935 0.6754 0.6754 5.3381 5.3381 5.8706 5.8706 6.6070 6.6070 7.3780 7.3780 11.0859 11.0859 11.8507 11.8507 12.1509 12.1509 12.2977 12.2977 k = 0.5000-0.0000 0.2242 ( 4406 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0513 -34.0513 -0.4783 -0.4783 -0.4309 -0.4309 -0.4161 -0.4161 -0.3764 -0.3764 0.0772 0.0772 0.1910 0.1910 0.3472 0.3472 0.4688 0.4688 0.4963 0.4963 0.6779 0.6779 5.2819 5.2819 5.7971 5.7971 6.7137 6.7137 7.4894 7.4894 11.0172 11.0172 11.8038 11.8038 12.1322 12.1322 12.2388 12.2388 k = 0.5000-0.0000 0.2140 ( 4402 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0513 -34.0513 -0.4795 -0.4795 -0.4322 -0.4322 -0.4163 -0.4163 -0.3754 -0.3754 0.0751 0.0751 0.1919 0.1919 0.3474 0.3474 0.4664 0.4664 0.4994 0.4994 0.6807 0.6807 5.2279 5.2279 5.7253 5.7253 6.8250 6.8250 7.6040 7.6040 10.9486 10.9486 11.7583 11.7583 12.1123 12.1123 12.1797 12.1797 k = 0.5000-0.0000 0.2038 ( 4394 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0513 -34.0513 -0.4807 -0.4807 -0.4335 -0.4335 -0.4166 -0.4166 -0.3743 -0.3743 0.0729 0.0729 0.1929 0.1929 0.3475 0.3475 0.4640 0.4640 0.5027 0.5027 0.6835 0.6835 5.1763 5.1763 5.6555 5.6555 6.9405 6.9405 7.7213 7.7213 10.8809 10.8809 11.7144 11.7144 12.0902 12.0902 12.1222 12.1222 k = 0.5000-0.0000 0.1937 ( 4394 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0513 -34.0513 -0.4819 -0.4819 -0.4348 -0.4348 -0.4171 -0.4171 -0.3732 -0.3732 0.0705 0.0705 0.1940 0.1940 0.3474 0.3474 0.4617 0.4617 0.5062 0.5062 0.6864 0.6864 5.1273 5.1273 5.5881 5.5881 7.0599 7.0599 7.8410 7.8410 10.8148 10.8148 11.6722 11.6722 12.0545 12.0545 12.0788 12.0788 k = 0.5000-0.0000 0.1835 ( 4390 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0512 -34.0512 -0.4831 -0.4831 -0.4362 -0.4362 -0.4177 -0.4177 -0.3720 -0.3720 0.0682 0.0682 0.1951 0.1951 0.3472 0.3472 0.4596 0.4596 0.5099 0.5099 0.6893 0.6893 5.0809 5.0809 5.5234 5.5234 7.1833 7.1833 7.9628 7.9628 10.7507 10.7507 11.6319 11.6319 12.0005 12.0005 12.0549 12.0549 k = 0.5000-0.0000 0.1733 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3420 -34.3420 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0512 -34.0512 -0.4843 -0.4843 -0.4375 -0.4375 -0.4183 -0.4183 -0.3708 -0.3708 0.0657 0.0657 0.1963 0.1963 0.3468 0.3468 0.4576 0.4576 0.5137 0.5137 0.6922 0.6922 5.0372 5.0372 5.4614 5.4614 7.3105 7.3105 8.0864 8.0864 10.6889 10.6889 11.5935 11.5935 11.9454 11.9454 12.0338 12.0338 k = 0.5000-0.0000 0.1631 ( 4384 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3419 -34.3419 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0512 -34.0512 -0.4856 -0.4856 -0.4389 -0.4389 -0.4191 -0.4191 -0.3696 -0.3696 0.0633 0.0633 0.1976 0.1976 0.3463 0.3463 0.4559 0.4559 0.5175 0.5175 0.6950 0.6950 4.9962 4.9962 5.4024 5.4024 7.4413 7.4413 8.2115 8.2115 10.6298 10.6298 11.5568 11.5568 11.8917 11.8917 12.0135 12.0135 k = 0.5000-0.0000 0.1529 ( 4384 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3419 -34.3419 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0512 -34.0512 -0.4868 -0.4868 -0.4402 -0.4402 -0.4199 -0.4199 -0.3684 -0.3684 0.0608 0.0608 0.1989 0.1989 0.3456 0.3456 0.4544 0.4544 0.5213 0.5213 0.6978 0.6978 4.9578 4.9578 5.3464 5.3464 7.5758 7.5758 8.3379 8.3379 10.5737 10.5737 11.5219 11.5219 11.8398 11.8398 11.9939 11.9939 k = 0.5000-0.0000 0.1427 ( 4374 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3468 -34.3468 -34.3419 -34.3419 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0512 -34.0512 -0.4879 -0.4879 -0.4415 -0.4415 -0.4207 -0.4207 -0.3673 -0.3673 0.0584 0.0584 0.2002 0.2002 0.3447 0.3447 0.4532 0.4532 0.5251 0.5251 0.7005 0.7005 4.9220 4.9220 5.2936 5.2936 7.7138 7.7138 8.4653 8.4653 10.5206 10.5206 11.4885 11.4885 11.7900 11.7900 11.9752 11.9752 k = 0.5000-0.0000 0.1325 ( 4380 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0511 -34.0511 -0.4891 -0.4891 -0.4428 -0.4428 -0.4216 -0.4216 -0.3662 -0.3662 0.0560 0.0560 0.2015 0.2015 0.3437 0.3437 0.4522 0.4522 0.5288 0.5288 0.7031 0.7031 4.8889 4.8889 5.2441 5.2441 7.8553 7.8553 8.5932 8.5932 10.4709 10.4709 11.4563 11.4563 11.7423 11.7423 11.9572 11.9572 k = 0.5000-0.0000 0.1223 ( 4376 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0511 -34.0511 -0.4901 -0.4901 -0.4441 -0.4441 -0.4225 -0.4225 -0.3651 -0.3651 0.0538 0.0538 0.2028 0.2028 0.3426 0.3426 0.4515 0.4515 0.5325 0.5325 0.7055 0.7055 4.8583 4.8583 5.1979 5.1979 8.0002 8.0002 8.7213 8.7213 10.4246 10.4246 11.4250 11.4250 11.6967 11.6967 11.9403 11.9403 k = 0.5000-0.0000 0.1121 ( 4376 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0511 -34.0511 -0.4911 -0.4911 -0.4452 -0.4452 -0.4233 -0.4233 -0.3642 -0.3642 0.0516 0.0516 0.2041 0.2041 0.3415 0.3415 0.4509 0.4509 0.5360 0.5360 0.7078 0.7078 4.8304 4.8304 5.1552 5.1552 8.1485 8.1485 8.8489 8.8489 10.3819 10.3819 11.3936 11.3936 11.6531 11.6531 11.9244 11.9244 k = 0.5000-0.0000 0.1019 ( 4380 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0610 -34.0610 -34.0569 -34.0569 -34.0566 -34.0566 -34.0511 -34.0511 -0.4921 -0.4921 -0.4463 -0.4463 -0.4242 -0.4242 -0.3632 -0.3632 0.0495 0.0495 0.2053 0.2053 0.3403 0.3403 0.4506 0.4506 0.5393 0.5393 0.7099 0.7099 4.8050 4.8050 5.1159 5.1159 8.2999 8.2999 8.9756 8.9756 10.3431 10.3431 11.3605 11.3605 11.6113 11.6113 11.9095 11.9095 k = 0.5000-0.0000 0.0917 ( 4382 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0610 -34.0610 -34.0570 -34.0570 -34.0566 -34.0566 -34.0511 -34.0511 -0.4930 -0.4930 -0.4474 -0.4474 -0.4250 -0.4250 -0.3624 -0.3624 0.0476 0.0476 0.2065 0.2065 0.3390 0.3390 0.4503 0.4503 0.5424 0.5424 0.7118 0.7118 4.7821 4.7821 5.0802 5.0802 8.4545 8.4545 9.1003 9.1003 10.3081 10.3081 11.3227 11.3227 11.5710 11.5710 11.8949 11.8949 k = 0.5000-0.0000 0.0815 ( 4382 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0610 -34.0610 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4938 -0.4938 -0.4483 -0.4483 -0.4258 -0.4258 -0.3617 -0.3617 0.0458 0.0458 0.2077 0.2077 0.3378 0.3378 0.4503 0.4503 0.5453 0.5453 0.7136 0.7136 4.7617 4.7617 5.0481 5.0481 8.6120 8.6120 9.2222 9.2222 10.2773 10.2773 11.2735 11.2735 11.5318 11.5318 11.7797 11.7797 k = 0.5000-0.0000 0.0713 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4945 -0.4945 -0.4492 -0.4492 -0.4265 -0.4265 -0.3610 -0.3610 0.0443 0.0443 0.2087 0.2087 0.3367 0.3367 0.4503 0.4503 0.5479 0.5479 0.7152 0.7152 4.7438 4.7438 5.0196 5.0196 8.7721 8.7721 9.3397 9.3397 10.2509 10.2509 11.2003 11.2003 11.4928 11.4928 11.6350 11.6350 k = 0.5000-0.0000 0.0612 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4951 -0.4951 -0.4499 -0.4499 -0.4271 -0.4271 -0.3605 -0.3605 0.0429 0.0429 0.2096 0.2096 0.3357 0.3357 0.4503 0.4503 0.5502 0.5502 0.7165 0.7165 4.7283 4.7283 4.9949 4.9949 8.9343 8.9343 9.4514 9.4514 10.2290 10.2290 11.0892 11.0892 11.4539 11.4539 11.5339 11.5339 k = 0.5000-0.0000 0.0510 ( 4382 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4956 -0.4956 -0.4506 -0.4506 -0.4277 -0.4277 -0.3600 -0.3600 0.0417 0.0417 0.2104 0.2104 0.3348 0.3348 0.4504 0.4504 0.5522 0.5522 0.7177 0.7177 4.7152 4.7152 4.9738 4.9738 9.0979 9.0979 9.5551 9.5551 10.2120 10.2120 10.9423 10.9423 11.4178 11.4178 11.4725 11.4725 k = 0.5000-0.0000 0.0408 ( 4390 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4961 -0.4961 -0.4511 -0.4511 -0.4281 -0.4281 -0.3596 -0.3596 0.0406 0.0406 0.2111 0.2111 0.3340 0.3340 0.4505 0.4505 0.5538 0.5538 0.7187 0.7187 4.7046 4.7046 4.9566 4.9566 9.2612 9.2612 9.6489 9.6489 10.2001 10.2001 10.7752 10.7752 11.3883 11.3883 11.4328 11.4328 k = 0.5000-0.0000 0.0306 ( 4396 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0566 -34.0566 -34.0511 -34.0511 -0.4964 -0.4964 -0.4515 -0.4515 -0.4285 -0.4285 -0.3593 -0.3593 0.0399 0.0399 0.2116 0.2116 0.3334 0.3334 0.4507 0.4507 0.5551 0.5551 0.7194 0.7194 4.6963 4.6963 4.9432 4.9432 9.4200 9.4200 9.7326 9.7326 10.1930 10.1930 10.6005 10.6005 11.3646 11.3646 11.4052 11.4052 k = 0.5000-0.0000 0.0204 ( 4392 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4967 -0.4967 -0.4519 -0.4519 -0.4288 -0.4288 -0.3591 -0.3591 0.0393 0.0393 0.2120 0.2120 0.3329 0.3329 0.4507 0.4507 0.5561 0.5561 0.7200 0.7200 4.6904 4.6904 4.9336 4.9336 9.5631 9.5631 9.8119 9.8119 10.1896 10.1896 10.4270 10.4270 11.3454 11.3454 11.3873 11.3873 k = 0.5000-0.0000 0.0102 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0511 -34.0511 -0.4968 -0.4968 -0.4520 -0.4520 -0.4289 -0.4289 -0.3589 -0.3589 0.0390 0.0390 0.2123 0.2123 0.3326 0.3326 0.4508 0.4508 0.5566 0.5566 0.7203 0.7203 4.6869 4.6869 4.9278 4.9278 9.6634 9.6634 9.9039 9.9039 10.1843 10.1843 10.2685 10.2685 11.3320 11.3320 11.3777 11.3777 k = 0.5000-0.0000-0.0000 ( 4386 PWs) bands (ev): -67.4032 -67.4032 -67.4021 -67.4021 -34.3469 -34.3469 -34.3419 -34.3419 -34.0611 -34.0611 -34.0570 -34.0570 -34.0565 -34.0565 -34.0510 -34.0510 -0.4969 -0.4969 -0.4521 -0.4521 -0.4290 -0.4290 -0.3589 -0.3589 0.0388 0.0388 0.2124 0.2124 0.3325 0.3325 0.4508 0.4508 0.5568 0.5568 0.7204 0.7204 4.6857 4.6857 4.9259 4.9259 9.6969 9.6969 9.9790 9.9790 10.1461 10.1461 10.2079 10.2079 11.3272 11.3272 11.3746 11.3746 k = 0.5000 0.3224-0.0000 ( 4364 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4649 -0.4649 -0.4649 -0.4649 -0.3924 -0.3924 -0.3924 -0.3924 0.1648 0.1648 0.1648 0.1648 0.3680 0.3680 0.3680 0.3680 0.6199 0.6199 0.6199 0.6199 6.0035 6.0035 6.0035 6.0035 6.7054 6.7054 6.7054 6.7054 11.0063 11.0063 11.0063 11.0063 12.3123 12.3123 12.3123 12.3123 k = 0.5000 0.3224 0.0102 ( 4368 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4651 -0.4651 -0.4651 -0.4651 -0.3924 -0.3924 -0.3924 -0.3924 0.1648 0.1648 0.1648 0.1648 0.3679 0.3679 0.3679 0.3679 0.6201 0.6201 0.6201 0.6201 6.0049 6.0049 6.0049 6.0049 6.7066 6.7066 6.7066 6.7066 10.9818 10.9818 10.9818 10.9818 12.2763 12.2763 12.2763 12.2763 k = 0.5000 0.3224 0.0204 ( 4372 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4654 -0.4654 -0.4654 -0.4654 -0.3924 -0.3924 -0.3924 -0.3924 0.1651 0.1651 0.1651 0.1651 0.3676 0.3676 0.3676 0.3676 0.6207 0.6207 0.6207 0.6207 6.0091 6.0091 6.0091 6.0091 6.7104 6.7104 6.7104 6.7104 10.9137 10.9137 10.9137 10.9137 12.1785 12.1785 12.1785 12.1785 k = 0.5000 0.3224 0.0306 ( 4372 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4660 -0.4660 -0.4660 -0.4660 -0.3923 -0.3923 -0.3923 -0.3923 0.1656 0.1656 0.1656 0.1656 0.3670 0.3670 0.3670 0.3670 0.6216 0.6216 0.6216 0.6216 6.0161 6.0161 6.0161 6.0161 6.7168 6.7168 6.7168 6.7168 10.8133 10.8133 10.8133 10.8133 12.0533 12.0533 12.0533 12.0533 k = 0.5000 0.3224 0.0408 ( 4376 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4669 -0.4669 -0.4669 -0.4669 -0.3923 -0.3923 -0.3923 -0.3923 0.1662 0.1662 0.1662 0.1662 0.3662 0.3662 0.3662 0.3662 0.6229 0.6229 0.6229 0.6229 6.0260 6.0260 6.0260 6.0260 6.7256 6.7256 6.7256 6.7256 10.6919 10.6919 10.6919 10.6919 11.9181 11.9181 11.9181 11.9181 k = 0.5000 0.3224 0.0510 ( 4372 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4679 -0.4679 -0.4679 -0.4679 -0.3923 -0.3923 -0.3923 -0.3923 0.1670 0.1670 0.1670 0.1670 0.3653 0.3653 0.3653 0.3653 0.6245 0.6245 0.6245 0.6245 6.0386 6.0386 6.0386 6.0386 6.7369 6.7369 6.7369 6.7369 10.5576 10.5576 10.5576 10.5576 11.7795 11.7795 11.7795 11.7795 k = 0.5000 0.3224 0.0612 ( 4380 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4692 -0.4692 -0.4692 -0.4692 -0.3923 -0.3923 -0.3923 -0.3923 0.1680 0.1680 0.1680 0.1680 0.3641 0.3641 0.3641 0.3641 0.6265 0.6265 0.6265 0.6265 6.0541 6.0541 6.0541 6.0541 6.7507 6.7507 6.7507 6.7507 10.4160 10.4160 10.4160 10.4160 11.6404 11.6404 11.6404 11.6404 k = 0.5000 0.3224 0.0713 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4706 -0.4706 -0.4706 -0.4706 -0.3923 -0.3923 -0.3923 -0.3923 0.1691 0.1691 0.1691 0.1691 0.3628 0.3628 0.3628 0.3628 0.6287 0.6287 0.6287 0.6287 6.0724 6.0724 6.0724 6.0724 6.7668 6.7668 6.7668 6.7668 10.2704 10.2704 10.2704 10.2704 11.5022 11.5022 11.5022 11.5022 k = 0.5000 0.3224 0.0815 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4722 -0.4722 -0.4722 -0.4722 -0.3923 -0.3923 -0.3923 -0.3923 0.1703 0.1703 0.1703 0.1703 0.3614 0.3614 0.3614 0.3614 0.6311 0.6311 0.6311 0.6311 6.0935 6.0935 6.0935 6.0935 6.7852 6.7852 6.7852 6.7852 10.1229 10.1229 10.1229 10.1229 11.3657 11.3657 11.3657 11.3657 k = 0.5000 0.3224 0.0917 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4740 -0.4740 -0.4740 -0.4740 -0.3924 -0.3924 -0.3924 -0.3924 0.1717 0.1717 0.1717 0.1717 0.3599 0.3599 0.3599 0.3599 0.6338 0.6338 0.6338 0.6338 6.1175 6.1175 6.1175 6.1175 6.8058 6.8058 6.8058 6.8058 9.9751 9.9751 9.9751 9.9751 11.2315 11.2315 11.2315 11.2315 k = 0.5000 0.3224 0.1019 ( 4396 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4758 -0.4758 -0.4758 -0.4758 -0.3924 -0.3924 -0.3924 -0.3924 0.1732 0.1732 0.1732 0.1732 0.3582 0.3582 0.3582 0.3582 0.6366 0.6366 0.6366 0.6366 6.1442 6.1442 6.1442 6.1442 6.8286 6.8286 6.8286 6.8286 9.8280 9.8280 9.8280 9.8280 11.0998 11.0998 11.0998 11.0998 k = 0.5000 0.3224 0.1121 ( 4388 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4778 -0.4778 -0.4778 -0.4778 -0.3924 -0.3924 -0.3924 -0.3924 0.1747 0.1747 0.1747 0.1747 0.3565 0.3565 0.3565 0.3565 0.6396 0.6396 0.6396 0.6396 6.1738 6.1738 6.1738 6.1738 6.8535 6.8535 6.8535 6.8535 9.6822 9.6822 9.6822 9.6822 10.9711 10.9711 10.9711 10.9711 k = 0.5000 0.3224 0.1223 ( 4388 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4799 -0.4799 -0.4799 -0.4799 -0.3925 -0.3925 -0.3925 -0.3925 0.1764 0.1764 0.1764 0.1764 0.3548 0.3548 0.3548 0.3548 0.6427 0.6427 0.6427 0.6427 6.2062 6.2062 6.2062 6.2062 6.8802 6.8802 6.8802 6.8802 9.5382 9.5382 9.5382 9.5382 10.8455 10.8455 10.8455 10.8455 k = 0.5000 0.3224 0.1325 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4820 -0.4820 -0.4820 -0.4820 -0.3926 -0.3926 -0.3926 -0.3926 0.1781 0.1781 0.1781 0.1781 0.3530 0.3530 0.3530 0.3530 0.6458 0.6458 0.6458 0.6458 6.2414 6.2414 6.2414 6.2414 6.9087 6.9087 6.9087 6.9087 9.3964 9.3964 9.3964 9.3964 10.7232 10.7232 10.7232 10.7232 k = 0.5000 0.3224 0.1427 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0596 -34.0596 -34.0596 -34.0596 -34.0532 -34.0532 -34.0532 -34.0532 -0.4841 -0.4841 -0.4841 -0.4841 -0.3927 -0.3927 -0.3927 -0.3927 0.1799 0.1799 0.1799 0.1799 0.3512 0.3512 0.3512 0.3512 0.6490 0.6490 0.6490 0.6490 6.2794 6.2794 6.2794 6.2794 6.9388 6.9388 6.9388 6.9388 9.2571 9.2571 9.2571 9.2571 10.6046 10.6046 10.6046 10.6046 k = 0.5000 0.3224 0.1529 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0532 -34.0532 -34.0532 -34.0532 -0.4862 -0.4862 -0.4862 -0.4862 -0.3928 -0.3928 -0.3928 -0.3928 0.1817 0.1817 0.1817 0.1817 0.3494 0.3494 0.3494 0.3494 0.6522 0.6522 0.6522 0.6522 6.3201 6.3201 6.3201 6.3201 6.9702 6.9702 6.9702 6.9702 9.1205 9.1205 9.1205 9.1205 10.4899 10.4899 10.4899 10.4899 k = 0.5000 0.3224 0.1631 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.4883 -0.4883 -0.4883 -0.4883 -0.3929 -0.3929 -0.3929 -0.3929 0.1835 0.1835 0.1835 0.1835 0.3477 0.3477 0.3477 0.3477 0.6553 0.6553 0.6553 0.6553 6.3636 6.3636 6.3636 6.3636 7.0028 7.0028 7.0028 7.0028 8.9869 8.9869 8.9869 8.9869 10.3792 10.3792 10.3792 10.3792 k = 0.5000 0.3224 0.1733 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.4904 -0.4904 -0.4904 -0.4904 -0.3931 -0.3931 -0.3931 -0.3931 0.1853 0.1853 0.1853 0.1853 0.3460 0.3460 0.3460 0.3460 0.6583 0.6583 0.6583 0.6583 6.4098 6.4098 6.4098 6.4098 7.0364 7.0364 7.0364 7.0364 8.8563 8.8563 8.8563 8.8563 10.2730 10.2730 10.2730 10.2730 k = 0.5000 0.3224 0.1835 ( 4396 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.4924 -0.4924 -0.4924 -0.4924 -0.3932 -0.3932 -0.3932 -0.3932 0.1870 0.1870 0.1870 0.1870 0.3443 0.3443 0.3443 0.3443 0.6613 0.6613 0.6613 0.6613 6.4586 6.4586 6.4586 6.4586 7.0705 7.0705 7.0705 7.0705 8.7291 8.7291 8.7291 8.7291 10.1716 10.1716 10.1716 10.1716 k = 0.5000 0.3224 0.1937 ( 4396 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.4944 -0.4944 -0.4944 -0.4944 -0.3933 -0.3933 -0.3933 -0.3933 0.1887 0.1887 0.1887 0.1887 0.3427 0.3427 0.3427 0.3427 0.6641 0.6641 0.6641 0.6641 6.5099 6.5099 6.5099 6.5099 7.1049 7.1049 7.1049 7.1049 8.6053 8.6053 8.6053 8.6053 10.0752 10.0752 10.0752 10.0752 k = 0.5000 0.3224 0.2038 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.4962 -0.4962 -0.4962 -0.4962 -0.3935 -0.3935 -0.3935 -0.3935 0.1904 0.1904 0.1904 0.1904 0.3412 0.3412 0.3412 0.3412 0.6668 0.6668 0.6668 0.6668 6.5637 6.5637 6.5637 6.5637 7.1391 7.1391 7.1391 7.1391 8.4852 8.4852 8.4852 8.4852 9.9844 9.9844 9.9844 9.9844 k = 0.5000 0.3224 0.2140 ( 4400 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.4979 -0.4979 -0.4979 -0.4979 -0.3936 -0.3936 -0.3936 -0.3936 0.1919 0.1919 0.1919 0.1919 0.3399 0.3399 0.3399 0.3399 0.6693 0.6693 0.6693 0.6693 6.6196 6.6196 6.6196 6.6196 7.1727 7.1727 7.1727 7.1727 8.3689 8.3689 8.3689 8.3689 9.8996 9.8996 9.8996 9.8996 k = 0.5000 0.3224 0.2242 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.4995 -0.4995 -0.4995 -0.4995 -0.3938 -0.3938 -0.3938 -0.3938 0.1934 0.1934 0.1934 0.1934 0.3386 0.3386 0.3386 0.3386 0.6716 0.6716 0.6716 0.6716 6.6776 6.6776 6.6776 6.6776 7.2053 7.2053 7.2053 7.2053 8.2569 8.2569 8.2569 8.2569 9.8212 9.8212 9.8212 9.8212 k = 0.5000 0.3224 0.2344 ( 4396 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5010 -0.5010 -0.5010 -0.5010 -0.3939 -0.3939 -0.3939 -0.3939 0.1947 0.1947 0.1947 0.1947 0.3374 0.3374 0.3374 0.3374 0.6736 0.6736 0.6736 0.6736 6.7370 6.7370 6.7370 6.7370 7.2362 7.2362 7.2362 7.2362 8.1496 8.1496 8.1496 8.1496 9.7499 9.7499 9.7499 9.7499 k = 0.5000 0.3224 0.2446 ( 4396 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5022 -0.5022 -0.5022 -0.5022 -0.3940 -0.3940 -0.3940 -0.3940 0.1959 0.1959 0.1959 0.1959 0.3364 0.3364 0.3364 0.3364 0.6754 0.6754 0.6754 0.6754 6.7975 6.7975 6.7975 6.7975 7.2648 7.2648 7.2648 7.2648 8.0476 8.0476 8.0476 8.0476 9.6863 9.6863 9.6863 9.6863 k = 0.5000 0.3224 0.2548 ( 4404 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5033 -0.5033 -0.5033 -0.5033 -0.3941 -0.3941 -0.3941 -0.3941 0.1969 0.1969 0.1969 0.1969 0.3355 0.3355 0.3355 0.3355 0.6770 0.6770 0.6770 0.6770 6.8579 6.8579 6.8579 6.8579 7.2907 7.2907 7.2907 7.2907 7.9518 7.9518 7.9518 7.9518 9.6309 9.6309 9.6309 9.6309 k = 0.5000 0.3224 0.2650 ( 4400 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5042 -0.5042 -0.5042 -0.5042 -0.3942 -0.3942 -0.3942 -0.3942 0.1978 0.1978 0.1978 0.1978 0.3348 0.3348 0.3348 0.3348 0.6783 0.6783 0.6783 0.6783 6.9167 6.9167 6.9167 6.9167 7.3131 7.3131 7.3131 7.3131 7.8640 7.8640 7.8640 7.8640 9.5845 9.5845 9.5845 9.5845 k = 0.5000 0.3224 0.2752 ( 4396 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5050 -0.5050 -0.5050 -0.5050 -0.3943 -0.3943 -0.3943 -0.3943 0.1985 0.1985 0.1985 0.1985 0.3342 0.3342 0.3342 0.3342 0.6793 0.6793 0.6793 0.6793 6.9713 6.9713 6.9713 6.9713 7.3315 7.3315 7.3315 7.3315 7.7865 7.7865 7.7865 7.7865 9.5477 9.5477 9.5477 9.5477 k = 0.5000 0.3224 0.2854 ( 4392 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5055 -0.5055 -0.5055 -0.5055 -0.3943 -0.3943 -0.3943 -0.3943 0.1990 0.1990 0.1990 0.1990 0.3338 0.3338 0.3338 0.3338 0.6801 0.6801 0.6801 0.6801 7.0177 7.0177 7.0177 7.0177 7.3454 7.3454 7.3454 7.3454 7.7235 7.7235 7.7235 7.7235 9.5209 9.5209 9.5209 9.5209 k = 0.5000 0.3224 0.2956 ( 4380 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5058 -0.5058 -0.5058 -0.5058 -0.3944 -0.3944 -0.3944 -0.3944 0.1993 0.1993 0.1993 0.1993 0.3335 0.3335 0.3335 0.3335 0.6805 0.6805 0.6805 0.6805 7.0500 7.0500 7.0500 7.0500 7.3541 7.3541 7.3541 7.3541 7.6810 7.6810 7.6810 7.6810 9.5047 9.5047 9.5047 9.5047 k = 0.5000 0.3224 0.3058 ( 4384 PWs) bands (ev): -67.4027 -67.4027 -67.4027 -67.4027 -34.3444 -34.3444 -34.3444 -34.3444 -34.0597 -34.0597 -34.0597 -34.0597 -34.0531 -34.0531 -34.0531 -34.0531 -0.5059 -0.5059 -0.5059 -0.5059 -0.3944 -0.3944 -0.3944 -0.3944 0.1994 0.1994 0.1994 0.1994 0.3335 0.3335 0.3335 0.3335 0.6807 0.6807 0.6807 0.6807 7.0617 7.0617 7.0617 7.0617 7.3571 7.3571 7.3571 7.3571 7.6658 7.6658 7.6658 7.6658 9.4992 9.4992 9.4992 9.4992 Writing output data file MgCd.save init_run : 0.58s CPU 0.74s WALL ( 1 calls) electrons : 460.88s CPU 463.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 460.87s CPU 463.28s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.17s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 456 calls) cegterg : 439.52s CPU 441.66s WALL ( 990 calls) Called by sum_band: Called by *egterg: h_psi : 279.43s CPU 287.10s WALL ( 16830 calls) s_psi : 14.43s CPU 14.69s WALL ( 16830 calls) g_psi : 0.86s CPU 0.86s WALL ( 15384 calls) cdiaghg : 115.00s CPU 112.00s WALL ( 15840 calls) cegterg:over : 18.08s CPU 16.24s WALL ( 15384 calls) cegterg:upda : 5.27s CPU 8.05s WALL ( 15384 calls) cegterg:last : 4.45s CPU 5.45s WALL ( 2850 calls) Called by h_psi: h_psi:vloc : 262.90s CPU 267.76s WALL ( 16830 calls) h_psi:vnl : 16.39s CPU 18.93s WALL ( 16830 calls) add_vuspsi : 7.10s CPU 9.69s WALL ( 16830 calls) General routines calbec : 9.27s CPU 9.19s WALL ( 16830 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 255.39s CPU 252.05s WALL ( 1792116 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.12s WALL ( 912 calls) Parallel routines fft_scatter : 216.87s CPU 166.56s WALL ( 1792139 calls) PWSCF : 8m10.80s CPU 8m24.37s WALL This run was terminated on: 15:15: 7 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=