Program PWSCF v.5.1.1 starts on 23Jul2015 at 16: 6:28 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: ./BaTe3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 107 84 24 2653 1844 290 Max 109 85 26 2654 1867 291 Sum 3433 2709 793 84901 59349 9289 bravais-lattice index = 14 lattice parameter (alat) = 14.9572 a.u. unit-cell volume = 1872.8460 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.957181 celldm(2)= 1.000000 celldm(3)= 0.559697 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.559697 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.786682 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Te 6.00 127.60000 Te( 1.00) 8 Sym. Ops. (no 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 5) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 6) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 255 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0039216 k( 3) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0039216 k( 4) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0039216 k( 5) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0039216 k( 6) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0039216 k( 7) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0039216 k( 8) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0039216 k( 9) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0039216 k( 10) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0039216 k( 11) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0039216 k( 12) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0039216 k( 13) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0039216 k( 14) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0039216 k( 15) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0039216 k( 16) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0039216 k( 17) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0039216 k( 18) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0039216 k( 19) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0039216 k( 20) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0039216 k( 21) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039216 k( 22) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039216 k( 23) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0039216 k( 24) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0039216 k( 25) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0039216 k( 26) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0039216 k( 27) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0039216 k( 28) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0039216 k( 29) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0039216 k( 30) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0039216 k( 31) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0039216 k( 32) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0039216 k( 33) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0039216 k( 34) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0039216 k( 35) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0039216 k( 36) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0039216 k( 37) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0039216 k( 38) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0039216 k( 39) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0039216 k( 40) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0039216 k( 41) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0039216 k( 42) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 43) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 44) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0039216 k( 45) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0039216 k( 46) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0039216 k( 47) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0039216 k( 48) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0039216 k( 49) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0039216 k( 50) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0039216 k( 51) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0039216 k( 52) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0039216 k( 53) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0039216 k( 54) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0039216 k( 55) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0039216 k( 56) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0039216 k( 57) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0039216 k( 58) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0039216 k( 59) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0039216 k( 60) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0039216 k( 61) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0039216 k( 62) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0039216 k( 63) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0039216 k( 64) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0039216 k( 65) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0039216 k( 66) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0039216 k( 67) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0039216 k( 68) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0039216 k( 69) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0039216 k( 70) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0039216 k( 71) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0039216 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 74) = ( 0.0000000 0.0000000 0.0248150), wk = 0.0039216 k( 75) = ( 0.0000000 0.0000000 0.0496301), wk = 0.0039216 k( 76) = ( 0.0000000 0.0000000 0.0744451), wk = 0.0039216 k( 77) = ( 0.0000000 0.0000000 0.0992601), wk = 0.0039216 k( 78) = ( 0.0000000 0.0000000 0.1240751), wk = 0.0039216 k( 79) = ( 0.0000000 0.0000000 0.1488901), wk = 0.0039216 k( 80) = ( 0.0000000 0.0000000 0.1737052), wk = 0.0039216 k( 81) = ( 0.0000000 0.0000000 0.1985202), wk = 0.0039216 k( 82) = ( 0.0000000 0.0000000 0.2233352), wk = 0.0039216 k( 83) = ( 0.0000000 0.0000000 0.2481502), wk = 0.0039216 k( 84) = ( 0.0000000 0.0000000 0.2729653), wk = 0.0039216 k( 85) = ( 0.0000000 0.0000000 0.2977803), wk = 0.0039216 k( 86) = ( 0.0000000 0.0000000 0.3225953), wk = 0.0039216 k( 87) = ( 0.0000000 0.0000000 0.3474103), wk = 0.0039216 k( 88) = ( 0.0000000 0.0000000 0.3722254), wk = 0.0039216 k( 89) = ( 0.0000000 0.0000000 0.3970404), wk = 0.0039216 k( 90) = ( 0.0000000 0.0000000 0.4218554), wk = 0.0039216 k( 91) = ( 0.0000000 0.0000000 0.4466704), wk = 0.0039216 k( 92) = ( 0.0000000 0.0000000 0.4714855), wk = 0.0039216 k( 93) = ( 0.0000000 0.0000000 0.4963005), wk = 0.0039216 k( 94) = ( 0.0000000 0.0000000 0.5211155), wk = 0.0039216 k( 95) = ( 0.0000000 0.0000000 0.5459305), wk = 0.0039216 k( 96) = ( 0.0000000 0.0000000 0.5707455), wk = 0.0039216 k( 97) = ( 0.0000000 0.0000000 0.5955606), wk = 0.0039216 k( 98) = ( 0.0000000 0.0000000 0.6203756), wk = 0.0039216 k( 99) = ( 0.0000000 0.0000000 0.6451906), wk = 0.0039216 k( 100) = ( 0.0000000 0.0000000 0.6700056), wk = 0.0039216 k( 101) = ( 0.0000000 0.0000000 0.6948207), wk = 0.0039216 k( 102) = ( 0.0000000 0.0000000 0.7196357), wk = 0.0039216 k( 103) = ( 0.0000000 0.0000000 0.7444507), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.7692657), wk = 0.0039216 k( 105) = ( 0.0000000 0.0000000 0.7940808), wk = 0.0039216 k( 106) = ( 0.0000000 0.0000000 0.8188958), wk = 0.0039216 k( 107) = ( 0.0000000 0.0000000 0.8437108), wk = 0.0039216 k( 108) = ( 0.0000000 0.0000000 0.8685258), wk = 0.0039216 k( 109) = ( 0.0000000 0.0000000 0.8933409), wk = 0.0039216 k( 110) = ( 0.0000000 0.0000000 0.8933409), wk = 0.0039216 k( 111) = ( 0.0000000 0.0250000 0.8933409), wk = 0.0039216 k( 112) = ( 0.0000000 0.0500000 0.8933409), wk = 0.0039216 k( 113) = ( 0.0000000 0.0750000 0.8933409), wk = 0.0039216 k( 114) = ( 0.0000000 0.1000000 0.8933409), wk = 0.0039216 k( 115) = ( 0.0000000 0.1250000 0.8933409), wk = 0.0039216 k( 116) = ( 0.0000000 0.1500000 0.8933409), wk = 0.0039216 k( 117) = ( 0.0000000 0.1750000 0.8933409), wk = 0.0039216 k( 118) = ( 0.0000000 0.2000000 0.8933409), wk = 0.0039216 k( 119) = ( 0.0000000 0.2250000 0.8933409), wk = 0.0039216 k( 120) = ( 0.0000000 0.2500000 0.8933409), wk = 0.0039216 k( 121) = ( 0.0000000 0.2750000 0.8933409), wk = 0.0039216 k( 122) = ( 0.0000000 0.3000000 0.8933409), wk = 0.0039216 k( 123) = ( 0.0000000 0.3250000 0.8933409), wk = 0.0039216 k( 124) = ( 0.0000000 0.3500000 0.8933409), wk = 0.0039216 k( 125) = ( 0.0000000 0.3750000 0.8933409), wk = 0.0039216 k( 126) = ( 0.0000000 0.4000000 0.8933409), wk = 0.0039216 k( 127) = ( 0.0000000 0.4250000 0.8933409), wk = 0.0039216 k( 128) = ( 0.0000000 0.4500000 0.8933409), wk = 0.0039216 k( 129) = ( 0.0000000 0.4750000 0.8933409), wk = 0.0039216 k( 130) = ( 0.0000000 0.5000000 0.8933409), wk = 0.0039216 k( 131) = ( 0.0000000 0.5000000 0.8933409), wk = 0.0039216 k( 132) = ( 0.0250000 0.5000000 0.8933409), wk = 0.0039216 k( 133) = ( 0.0500000 0.5000000 0.8933409), wk = 0.0039216 k( 134) = ( 0.0750000 0.5000000 0.8933409), wk = 0.0039216 k( 135) = ( 0.1000000 0.5000000 0.8933409), wk = 0.0039216 k( 136) = ( 0.1250000 0.5000000 0.8933409), wk = 0.0039216 k( 137) = ( 0.1500000 0.5000000 0.8933409), wk = 0.0039216 k( 138) = ( 0.1750000 0.5000000 0.8933409), wk = 0.0039216 k( 139) = ( 0.2000000 0.5000000 0.8933409), wk = 0.0039216 k( 140) = ( 0.2250000 0.5000000 0.8933409), wk = 0.0039216 k( 141) = ( 0.2500000 0.5000000 0.8933409), wk = 0.0039216 k( 142) = ( 0.2750000 0.5000000 0.8933409), wk = 0.0039216 k( 143) = ( 0.3000000 0.5000000 0.8933409), wk = 0.0039216 k( 144) = ( 0.3250000 0.5000000 0.8933409), wk = 0.0039216 k( 145) = ( 0.3500000 0.5000000 0.8933409), wk = 0.0039216 k( 146) = ( 0.3750000 0.5000000 0.8933409), wk = 0.0039216 k( 147) = ( 0.4000000 0.5000000 0.8933409), wk = 0.0039216 k( 148) = ( 0.4250000 0.5000000 0.8933409), wk = 0.0039216 k( 149) = ( 0.4500000 0.5000000 0.8933409), wk = 0.0039216 k( 150) = ( 0.4750000 0.5000000 0.8933409), wk = 0.0039216 k( 151) = ( 0.5000000 0.5000000 0.8933409), wk = 0.0039216 k( 152) = ( 0.5000000 0.5000000 0.8933409), wk = 0.0039216 k( 153) = ( 0.4827586 0.4827586 0.8933409), wk = 0.0039216 k( 154) = ( 0.4655172 0.4655172 0.8933409), wk = 0.0039216 k( 155) = ( 0.4482759 0.4482759 0.8933409), wk = 0.0039216 k( 156) = ( 0.4310345 0.4310345 0.8933409), wk = 0.0039216 k( 157) = ( 0.4137931 0.4137931 0.8933409), wk = 0.0039216 k( 158) = ( 0.3965517 0.3965517 0.8933409), wk = 0.0039216 k( 159) = ( 0.3793103 0.3793103 0.8933409), wk = 0.0039216 k( 160) = ( 0.3620690 0.3620690 0.8933409), wk = 0.0039216 k( 161) = ( 0.3448276 0.3448276 0.8933409), wk = 0.0039216 k( 162) = ( 0.3275862 0.3275862 0.8933409), wk = 0.0039216 k( 163) = ( 0.3103448 0.3103448 0.8933409), wk = 0.0039216 k( 164) = ( 0.2931034 0.2931034 0.8933409), wk = 0.0039216 k( 165) = ( 0.2758621 0.2758621 0.8933409), wk = 0.0039216 k( 166) = ( 0.2586207 0.2586207 0.8933409), wk = 0.0039216 k( 167) = ( 0.2413793 0.2413793 0.8933409), wk = 0.0039216 k( 168) = ( 0.2241379 0.2241379 0.8933409), wk = 0.0039216 k( 169) = ( 0.2068966 0.2068965 0.8933409), wk = 0.0039216 k( 170) = ( 0.1896552 0.1896552 0.8933409), wk = 0.0039216 k( 171) = ( 0.1724138 0.1724138 0.8933409), wk = 0.0039216 k( 172) = ( 0.1551724 0.1551724 0.8933409), wk = 0.0039216 k( 173) = ( 0.1379310 0.1379310 0.8933409), wk = 0.0039216 k( 174) = ( 0.1206897 0.1206897 0.8933409), wk = 0.0039216 k( 175) = ( 0.1034483 0.1034483 0.8933409), wk = 0.0039216 k( 176) = ( 0.0862069 0.0862069 0.8933409), wk = 0.0039216 k( 177) = ( 0.0689655 0.0689655 0.8933409), wk = 0.0039216 k( 178) = ( 0.0517241 0.0517241 0.8933409), wk = 0.0039216 k( 179) = ( 0.0344828 0.0344828 0.8933409), wk = 0.0039216 k( 180) = ( 0.0172414 0.0172414 0.8933409), wk = 0.0039216 k( 181) = ( 0.0000000 0.0000000 0.8933409), wk = 0.0039216 k( 182) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039216 k( 183) = ( 0.0000000 0.5000000 0.0248150), wk = 0.0039216 k( 184) = ( 0.0000000 0.5000000 0.0496301), wk = 0.0039216 k( 185) = ( 0.0000000 0.5000000 0.0744451), wk = 0.0039216 k( 186) = ( 0.0000000 0.5000000 0.0992601), wk = 0.0039216 k( 187) = ( 0.0000000 0.5000000 0.1240751), wk = 0.0039216 k( 188) = ( 0.0000000 0.5000000 0.1488901), wk = 0.0039216 k( 189) = ( 0.0000000 0.5000000 0.1737052), wk = 0.0039216 k( 190) = ( 0.0000000 0.5000000 0.1985202), wk = 0.0039216 k( 191) = ( 0.0000000 0.5000000 0.2233352), wk = 0.0039216 k( 192) = ( 0.0000000 0.5000000 0.2481502), wk = 0.0039216 k( 193) = ( 0.0000000 0.5000000 0.2729653), wk = 0.0039216 k( 194) = ( 0.0000000 0.5000000 0.2977803), wk = 0.0039216 k( 195) = ( 0.0000000 0.5000000 0.3225953), wk = 0.0039216 k( 196) = ( 0.0000000 0.5000000 0.3474103), wk = 0.0039216 k( 197) = ( 0.0000000 0.5000000 0.3722254), wk = 0.0039216 k( 198) = ( 0.0000000 0.5000000 0.3970404), wk = 0.0039216 k( 199) = ( 0.0000000 0.5000000 0.4218554), wk = 0.0039216 k( 200) = ( 0.0000000 0.5000000 0.4466704), wk = 0.0039216 k( 201) = ( 0.0000000 0.5000000 0.4714855), wk = 0.0039216 k( 202) = ( 0.0000000 0.5000000 0.4963005), wk = 0.0039216 k( 203) = ( 0.0000000 0.5000000 0.5211155), wk = 0.0039216 k( 204) = ( 0.0000000 0.5000000 0.5459305), wk = 0.0039216 k( 205) = ( 0.0000000 0.5000000 0.5707455), wk = 0.0039216 k( 206) = ( 0.0000000 0.5000000 0.5955606), wk = 0.0039216 k( 207) = ( 0.0000000 0.5000000 0.6203756), wk = 0.0039216 k( 208) = ( 0.0000000 0.5000000 0.6451906), wk = 0.0039216 k( 209) = ( 0.0000000 0.5000000 0.6700056), wk = 0.0039216 k( 210) = ( 0.0000000 0.5000000 0.6948207), wk = 0.0039216 k( 211) = ( 0.0000000 0.5000000 0.7196357), wk = 0.0039216 k( 212) = ( 0.0000000 0.5000000 0.7444507), wk = 0.0039216 k( 213) = ( 0.0000000 0.5000000 0.7692657), wk = 0.0039216 k( 214) = ( 0.0000000 0.5000000 0.7940808), wk = 0.0039216 k( 215) = ( 0.0000000 0.5000000 0.8188958), wk = 0.0039216 k( 216) = ( 0.0000000 0.5000000 0.8437108), wk = 0.0039216 k( 217) = ( 0.0000000 0.5000000 0.8685258), wk = 0.0039216 k( 218) = ( 0.0000000 0.5000000 0.8933409), wk = 0.0039216 k( 219) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 220) = ( 0.5000000 0.5000000 0.0248150), wk = 0.0039216 k( 221) = ( 0.5000000 0.5000000 0.0496301), wk = 0.0039216 k( 222) = ( 0.5000000 0.5000000 0.0744451), wk = 0.0039216 k( 223) = ( 0.5000000 0.5000000 0.0992601), wk = 0.0039216 k( 224) = ( 0.5000000 0.5000000 0.1240751), wk = 0.0039216 k( 225) = ( 0.5000000 0.5000000 0.1488901), wk = 0.0039216 k( 226) = ( 0.5000000 0.5000000 0.1737052), wk = 0.0039216 k( 227) = ( 0.5000000 0.5000000 0.1985202), wk = 0.0039216 k( 228) = ( 0.5000000 0.5000000 0.2233352), wk = 0.0039216 k( 229) = ( 0.5000000 0.5000000 0.2481502), wk = 0.0039216 k( 230) = ( 0.5000000 0.5000000 0.2729653), wk = 0.0039216 k( 231) = ( 0.5000000 0.5000000 0.2977803), wk = 0.0039216 k( 232) = ( 0.5000000 0.5000000 0.3225953), wk = 0.0039216 k( 233) = ( 0.5000000 0.5000000 0.3474103), wk = 0.0039216 k( 234) = ( 0.5000000 0.5000000 0.3722254), wk = 0.0039216 k( 235) = ( 0.5000000 0.5000000 0.3970404), wk = 0.0039216 k( 236) = ( 0.5000000 0.5000000 0.4218554), wk = 0.0039216 k( 237) = ( 0.5000000 0.5000000 0.4466704), wk = 0.0039216 k( 238) = ( 0.5000000 0.5000000 0.4714855), wk = 0.0039216 k( 239) = ( 0.5000000 0.5000000 0.4963005), wk = 0.0039216 k( 240) = ( 0.5000000 0.5000000 0.5211155), wk = 0.0039216 k( 241) = ( 0.5000000 0.5000000 0.5459305), wk = 0.0039216 k( 242) = ( 0.5000000 0.5000000 0.5707455), wk = 0.0039216 k( 243) = ( 0.5000000 0.5000000 0.5955606), wk = 0.0039216 k( 244) = ( 0.5000000 0.5000000 0.6203756), wk = 0.0039216 k( 245) = ( 0.5000000 0.5000000 0.6451906), wk = 0.0039216 k( 246) = ( 0.5000000 0.5000000 0.6700056), wk = 0.0039216 k( 247) = ( 0.5000000 0.5000000 0.6948207), wk = 0.0039216 k( 248) = ( 0.5000000 0.5000000 0.7196357), wk = 0.0039216 k( 249) = ( 0.5000000 0.5000000 0.7444507), wk = 0.0039216 k( 250) = ( 0.5000000 0.5000000 0.7692657), wk = 0.0039216 k( 251) = ( 0.5000000 0.5000000 0.7940808), wk = 0.0039216 k( 252) = ( 0.5000000 0.5000000 0.8188958), wk = 0.0039216 k( 253) = ( 0.5000000 0.5000000 0.8437108), wk = 0.0039216 k( 254) = ( 0.5000000 0.5000000 0.8685258), wk = 0.0039216 k( 255) = ( 0.5000000 0.5000000 0.8933409), wk = 0.0039216 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0039216 k( 3) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0039216 k( 4) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0039216 k( 5) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0039216 k( 6) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0039216 k( 7) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0039216 k( 8) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0039216 k( 9) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0039216 k( 10) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0039216 k( 11) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0039216 k( 12) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0039216 k( 13) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0039216 k( 14) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0039216 k( 15) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0039216 k( 16) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0039216 k( 17) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0039216 k( 18) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0039216 k( 19) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0039216 k( 20) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0039216 k( 21) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 22) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 23) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0039216 k( 24) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0039216 k( 25) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0039216 k( 26) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0039216 k( 27) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0039216 k( 28) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0039216 k( 29) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0039216 k( 30) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0039216 k( 31) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0039216 k( 32) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0039216 k( 33) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0039216 k( 34) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0039216 k( 35) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0039216 k( 36) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0039216 k( 37) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0039216 k( 38) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0039216 k( 39) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0039216 k( 40) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0039216 k( 41) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0039216 k( 42) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039216 k( 43) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039216 k( 44) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0039216 k( 45) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0039216 k( 46) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0039216 k( 47) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0039216 k( 48) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0039216 k( 49) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0039216 k( 50) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0039216 k( 51) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0039216 k( 52) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0039216 k( 53) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0039216 k( 54) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0039216 k( 55) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0039216 k( 56) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0039216 k( 57) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0039216 k( 58) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0039216 k( 59) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0039216 k( 60) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0039216 k( 61) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0039216 k( 62) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0039216 k( 63) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0039216 k( 64) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0039216 k( 65) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0039216 k( 66) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0039216 k( 67) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0039216 k( 68) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0039216 k( 69) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0039216 k( 70) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0039216 k( 71) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0039216 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 74) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0039216 k( 75) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0039216 k( 76) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0039216 k( 77) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0039216 k( 78) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0039216 k( 79) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039216 k( 80) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0039216 k( 81) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0039216 k( 82) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0039216 k( 83) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0039216 k( 84) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0039216 k( 85) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039216 k( 86) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0039216 k( 87) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0039216 k( 88) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0039216 k( 89) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0039216 k( 90) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0039216 k( 91) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039216 k( 92) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0039216 k( 93) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0039216 k( 94) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0039216 k( 95) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0039216 k( 96) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0039216 k( 97) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039216 k( 98) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0039216 k( 99) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0039216 k( 100) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0039216 k( 101) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0039216 k( 102) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0039216 k( 103) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0039216 k( 105) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0039216 k( 106) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0039216 k( 107) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0039216 k( 108) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0039216 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 111) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0039216 k( 112) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0039216 k( 113) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0039216 k( 114) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0039216 k( 115) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0039216 k( 116) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0039216 k( 117) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0039216 k( 118) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0039216 k( 119) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0039216 k( 120) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0039216 k( 121) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0039216 k( 122) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0039216 k( 123) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0039216 k( 124) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0039216 k( 125) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0039216 k( 126) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0039216 k( 127) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0039216 k( 128) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0039216 k( 129) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0039216 k( 130) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039216 k( 131) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039216 k( 132) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0039216 k( 133) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0039216 k( 134) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0039216 k( 135) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0039216 k( 136) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0039216 k( 137) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0039216 k( 138) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0039216 k( 139) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0039216 k( 140) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0039216 k( 141) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0039216 k( 142) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0039216 k( 143) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0039216 k( 144) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0039216 k( 145) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0039216 k( 146) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0039216 k( 147) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0039216 k( 148) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0039216 k( 149) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0039216 k( 150) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0039216 k( 151) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 152) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 153) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0039216 k( 154) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0039216 k( 155) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0039216 k( 156) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0039216 k( 157) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0039216 k( 158) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0039216 k( 159) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0039216 k( 160) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0039216 k( 161) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0039216 k( 162) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0039216 k( 163) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0039216 k( 164) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0039216 k( 165) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0039216 k( 166) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0039216 k( 167) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0039216 k( 168) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0039216 k( 169) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0039216 k( 170) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0039216 k( 171) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0039216 k( 172) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0039216 k( 173) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0039216 k( 174) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0039216 k( 175) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0039216 k( 176) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0039216 k( 177) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0039216 k( 178) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0039216 k( 179) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0039216 k( 180) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0039216 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 183) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0039216 k( 184) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0039216 k( 185) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0039216 k( 186) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0039216 k( 187) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0039216 k( 188) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0039216 k( 189) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0039216 k( 190) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0039216 k( 191) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0039216 k( 192) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0039216 k( 193) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0039216 k( 194) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0039216 k( 195) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0039216 k( 196) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0039216 k( 197) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0039216 k( 198) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0039216 k( 199) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0039216 k( 200) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0039216 k( 201) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0039216 k( 202) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0039216 k( 203) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0039216 k( 204) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0039216 k( 205) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0039216 k( 206) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0039216 k( 207) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0039216 k( 208) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0039216 k( 209) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0039216 k( 210) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0039216 k( 211) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0039216 k( 212) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0039216 k( 213) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0039216 k( 214) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0039216 k( 215) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0039216 k( 216) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0039216 k( 217) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0039216 k( 218) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039216 k( 219) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039216 k( 220) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0039216 k( 221) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0039216 k( 222) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0039216 k( 223) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0039216 k( 224) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0039216 k( 225) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0039216 k( 226) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0039216 k( 227) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0039216 k( 228) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0039216 k( 229) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0039216 k( 230) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0039216 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039216 k( 232) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0039216 k( 233) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0039216 k( 234) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0039216 k( 235) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0039216 k( 236) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0039216 k( 237) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0039216 k( 238) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0039216 k( 239) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0039216 k( 240) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0039216 k( 241) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0039216 k( 242) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0039216 k( 243) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039216 k( 244) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0039216 k( 245) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0039216 k( 246) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0039216 k( 247) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0039216 k( 248) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0039216 k( 249) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0039216 k( 250) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0039216 k( 251) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0039216 k( 252) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0039216 k( 253) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0039216 k( 254) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0039216 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 Dense grid: 84901 G-vectors FFT dimensions: ( 72, 72, 40) Smooth grid: 59349 G-vectors FFT dimensions: ( 60, 60, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 476, 68) NL pseudopotentials 1.00 Mb ( 238, 274) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2654) G-vector shells 0.01 Mb ( 1218) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.98 Mb ( 476, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.57 Mb ( 274, 2, 68) The potential is recalculated from file : ./BaTe3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.3 secs Computing kpt #: 2 total cpu time spent up to now is 11.0 secs Computing kpt #: 3 total cpu time spent up to now is 14.1 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 19.0 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.1 secs Computing kpt #: 6 total cpu time spent up to now is 29.7 secs Computing kpt #: 7 total cpu time spent up to now is 35.3 secs Computing kpt #: 8 total cpu time spent up to now is 38.7 secs Computing kpt #: 9 total cpu time spent up to now is 42.0 secs Computing kpt #: 10 total cpu time spent up to now is 45.1 secs Computing kpt #: 11 total cpu time spent up to now is 48.3 secs Computing kpt #: 12 total cpu time spent up to now is 51.1 secs Computing kpt #: 13 total cpu time spent up to now is 53.8 secs Computing kpt #: 14 total cpu time spent up to now is 56.4 secs Computing kpt #: 15 total cpu time spent up to now is 59.1 secs Computing kpt #: 16 total cpu time spent up to now is 61.8 secs Computing kpt #: 17 total cpu time spent up to now is 64.4 secs Computing kpt #: 18 total cpu time spent up to now is 66.9 secs Computing kpt #: 19 total cpu time spent up to now is 69.5 secs Computing kpt #: 20 total cpu time spent up to now is 72.1 secs Computing kpt #: 21 total cpu time spent up to now is 74.6 secs Computing kpt #: 22 total cpu time spent up to now is 77.1 secs Computing kpt #: 23 total cpu time spent up to now is 79.6 secs Computing kpt #: 24 total cpu time spent up to now is 82.1 secs Computing kpt #: 25 total cpu time spent up to now is 84.6 secs Computing kpt #: 26 total cpu time spent up to now is 87.1 secs Computing kpt #: 27 total cpu time spent up to now is 89.7 secs Computing kpt #: 28 total cpu time spent up to now is 92.2 secs Computing kpt #: 29 total cpu time spent up to now is 94.7 secs Computing kpt #: 30 total cpu time spent up to now is 97.2 secs Computing kpt #: 31 total cpu time spent up to now is 99.8 secs Computing kpt #: 32 total cpu time spent up to now is 102.3 secs Computing kpt #: 33 total cpu time spent up to now is 104.9 secs Computing kpt #: 34 total cpu time spent up to now is 107.5 secs Computing kpt #: 35 total cpu time spent up to now is 110.1 secs Computing kpt #: 36 total cpu time spent up to now is 112.7 secs Computing kpt #: 37 total cpu time spent up to now is 115.4 secs Computing kpt #: 38 total cpu time spent up to now is 118.0 secs Computing kpt #: 39 total cpu time spent up to now is 120.8 secs Computing kpt #: 40 total cpu time spent up to now is 123.4 secs Computing kpt #: 41 total cpu time spent up to now is 126.1 secs Computing kpt #: 42 total cpu time spent up to now is 128.8 secs Computing kpt #: 43 total cpu time spent up to now is 131.4 secs Computing kpt #: 44 total cpu time spent up to now is 134.2 secs Computing kpt #: 45 total cpu time spent up to now is 136.9 secs Computing kpt #: 46 total cpu time spent up to now is 139.7 secs Computing kpt #: 47 total cpu time spent up to now is 142.5 secs Computing kpt #: 48 total cpu time spent up to now is 145.3 secs Computing kpt #: 49 total cpu time spent up to now is 148.0 secs Computing kpt #: 50 total cpu time spent up to now is 150.8 secs Computing kpt #: 51 total cpu time spent up to now is 153.5 secs Computing kpt #: 52 total cpu time spent up to now is 156.3 secs Computing kpt #: 53 total cpu time spent up to now is 158.9 secs Computing kpt #: 54 total cpu time spent up to now is 161.7 secs Computing kpt #: 55 total cpu time spent up to now is 164.4 secs Computing kpt #: 56 total cpu time spent up to now is 167.2 secs Computing kpt #: 57 total cpu time spent up to now is 169.9 secs Computing kpt #: 58 total cpu time spent up to now is 172.7 secs Computing kpt #: 59 total cpu time spent up to now is 175.4 secs Computing kpt #: 60 total cpu time spent up to now is 178.2 secs Computing kpt #: 61 total cpu time spent up to now is 181.3 secs Computing kpt #: 62 total cpu time spent up to now is 184.6 secs Computing kpt #: 63 total cpu time spent up to now is 188.0 secs Computing kpt #: 64 total cpu time spent up to now is 191.6 secs Computing kpt #: 65 total cpu time spent up to now is 195.3 secs Computing kpt #: 66 total cpu time spent up to now is 199.6 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 204.7 secs Computing kpt #: 68 total cpu time spent up to now is 209.7 secs Computing kpt #: 69 total cpu time spent up to now is 213.6 secs Computing kpt #: 70 total cpu time spent up to now is 217.4 secs Computing kpt #: 71 total cpu time spent up to now is 221.1 secs Computing kpt #: 72 total cpu time spent up to now is 225.0 secs Computing kpt #: 73 total cpu time spent up to now is 228.5 secs Computing kpt #: 74 total cpu time spent up to now is 232.1 secs Computing kpt #: 75 total cpu time spent up to now is 235.6 secs Computing kpt #: 76 total cpu time spent up to now is 240.0 secs Computing kpt #: 77 total cpu time spent up to now is 243.9 secs Computing kpt #: 78 total cpu time spent up to now is 247.5 secs Computing kpt #: 79 total cpu time spent up to now is 251.5 secs Computing kpt #: 80 total cpu time spent up to now is 254.7 secs Computing kpt #: 81 total cpu time spent up to now is 258.2 secs Computing kpt #: 82 total cpu time spent up to now is 261.3 secs Computing kpt #: 83 total cpu time spent up to now is 264.8 secs Computing kpt #: 84 total cpu time spent up to now is 268.3 secs Computing kpt #: 85 total cpu time spent up to now is 271.6 secs Computing kpt #: 86 total cpu time spent up to now is 274.7 secs Computing kpt #: 87 total cpu time spent up to now is 277.7 secs Computing kpt #: 88 total cpu time spent up to now is 280.8 secs Computing kpt #: 89 total cpu time spent up to now is 283.9 secs Computing kpt #: 90 total cpu time spent up to now is 287.0 secs Computing kpt #: 91 total cpu time spent up to now is 290.1 secs Computing kpt #: 92 total cpu time spent up to now is 293.2 secs Computing kpt #: 93 total cpu time spent up to now is 296.8 secs Computing kpt #: 94 total cpu time spent up to now is 301.4 secs Computing kpt #: 95 total cpu time spent up to now is 304.5 secs Computing kpt #: 96 total cpu time spent up to now is 307.5 secs Computing kpt #: 97 total cpu time spent up to now is 310.5 secs Computing kpt #: 98 total cpu time spent up to now is 313.4 secs Computing kpt #: 99 total cpu time spent up to now is 316.4 secs Computing kpt #: 100 total cpu time spent up to now is 319.1 secs Computing kpt #: 101 total cpu time spent up to now is 322.1 secs Computing kpt #: 102 total cpu time spent up to now is 325.1 secs Computing kpt #: 103 total cpu time spent up to now is 328.2 secs Computing kpt #: 104 total cpu time spent up to now is 333.8 secs Computing kpt #: 105 total cpu time spent up to now is 336.7 secs Computing kpt #: 106 total cpu time spent up to now is 339.7 secs Computing kpt #: 107 total cpu time spent up to now is 342.6 secs Computing kpt #: 108 total cpu time spent up to now is 345.5 secs Computing kpt #: 109 total cpu time spent up to now is 348.6 secs Computing kpt #: 110 total cpu time spent up to now is 351.7 secs Computing kpt #: 111 total cpu time spent up to now is 354.6 secs Computing kpt #: 112 total cpu time spent up to now is 357.6 secs Computing kpt #: 113 total cpu time spent up to now is 360.7 secs Computing kpt #: 114 total cpu time spent up to now is 363.8 secs Computing kpt #: 115 total cpu time spent up to now is 366.8 secs Computing kpt #: 116 total cpu time spent up to now is 369.9 secs Computing kpt #: 117 total cpu time spent up to now is 373.1 secs Computing kpt #: 118 total cpu time spent up to now is 376.3 secs Computing kpt #: 119 total cpu time spent up to now is 379.7 secs Computing kpt #: 120 total cpu time spent up to now is 383.0 secs Computing kpt #: 121 total cpu time spent up to now is 386.1 secs Computing kpt #: 122 total cpu time spent up to now is 389.5 secs Computing kpt #: 123 total cpu time spent up to now is 392.9 secs Computing kpt #: 124 total cpu time spent up to now is 395.9 secs Computing kpt #: 125 total cpu time spent up to now is 399.2 secs Computing kpt #: 126 total cpu time spent up to now is 402.5 secs Computing kpt #: 127 total cpu time spent up to now is 405.2 secs Computing kpt #: 128 total cpu time spent up to now is 408.3 secs Computing kpt #: 129 total cpu time spent up to now is 411.3 secs Computing kpt #: 130 total cpu time spent up to now is 414.1 secs Computing kpt #: 131 total cpu time spent up to now is 417.0 secs Computing kpt #: 132 total cpu time spent up to now is 420.0 secs Computing kpt #: 133 total cpu time spent up to now is 422.6 secs Computing kpt #: 134 total cpu time spent up to now is 425.5 secs Computing kpt #: 135 total cpu time spent up to now is 428.4 secs Computing kpt #: 136 total cpu time spent up to now is 431.3 secs Computing kpt #: 137 total cpu time spent up to now is 434.3 secs Computing kpt #: 138 total cpu time spent up to now is 437.3 secs Computing kpt #: 139 total cpu time spent up to now is 440.4 secs Computing kpt #: 140 total cpu time spent up to now is 443.6 secs Computing kpt #: 141 total cpu time spent up to now is 446.8 secs Computing kpt #: 142 total cpu time spent up to now is 450.1 secs Computing kpt #: 143 total cpu time spent up to now is 453.4 secs Computing kpt #: 144 total cpu time spent up to now is 457.0 secs Computing kpt #: 145 total cpu time spent up to now is 460.6 secs Computing kpt #: 146 total cpu time spent up to now is 464.2 secs Computing kpt #: 147 total cpu time spent up to now is 467.8 secs Computing kpt #: 148 total cpu time spent up to now is 471.3 secs Computing kpt #: 149 total cpu time spent up to now is 474.9 secs Computing kpt #: 150 total cpu time spent up to now is 478.4 secs Computing kpt #: 151 total cpu time spent up to now is 481.9 secs Computing kpt #: 152 total cpu time spent up to now is 485.3 secs Computing kpt #: 153 total cpu time spent up to now is 489.0 secs Computing kpt #: 154 total cpu time spent up to now is 492.6 secs Computing kpt #: 155 total cpu time spent up to now is 496.4 secs Computing kpt #: 156 total cpu time spent up to now is 500.2 secs Computing kpt #: 157 total cpu time spent up to now is 503.8 secs Computing kpt #: 158 total cpu time spent up to now is 508.0 secs Computing kpt #: 159 total cpu time spent up to now is 512.7 secs Computing kpt #: 160 total cpu time spent up to now is 517.5 secs Computing kpt #: 161 total cpu time spent up to now is 522.3 secs Computing kpt #: 162 total cpu time spent up to now is 526.6 secs Computing kpt #: 163 total cpu time spent up to now is 530.6 secs Computing kpt #: 164 total cpu time spent up to now is 533.7 secs Computing kpt #: 165 total cpu time spent up to now is 537.5 secs Computing kpt #: 166 total cpu time spent up to now is 541.2 secs Computing kpt #: 167 total cpu time spent up to now is 544.8 secs Computing kpt #: 168 total cpu time spent up to now is 548.5 secs Computing kpt #: 169 total cpu time spent up to now is 551.9 secs Computing kpt #: 170 total cpu time spent up to now is 555.0 secs Computing kpt #: 171 total cpu time spent up to now is 558.4 secs Computing kpt #: 172 total cpu time spent up to now is 561.8 secs Computing kpt #: 173 total cpu time spent up to now is 564.9 secs Computing kpt #: 174 total cpu time spent up to now is 568.1 secs Computing kpt #: 175 total cpu time spent up to now is 571.3 secs Computing kpt #: 176 total cpu time spent up to now is 574.3 secs Computing kpt #: 177 total cpu time spent up to now is 577.4 secs Computing kpt #: 178 total cpu time spent up to now is 580.4 secs Computing kpt #: 179 total cpu time spent up to now is 583.3 secs Computing kpt #: 180 total cpu time spent up to now is 586.2 secs Computing kpt #: 181 total cpu time spent up to now is 589.4 secs Computing kpt #: 182 total cpu time spent up to now is 591.9 secs Computing kpt #: 183 total cpu time spent up to now is 594.5 secs Computing kpt #: 184 total cpu time spent up to now is 597.0 secs Computing kpt #: 185 total cpu time spent up to now is 599.4 secs Computing kpt #: 186 total cpu time spent up to now is 602.0 secs Computing kpt #: 187 total cpu time spent up to now is 604.4 secs Computing kpt #: 188 total cpu time spent up to now is 607.0 secs Computing kpt #: 189 total cpu time spent up to now is 609.5 secs Computing kpt #: 190 total cpu time spent up to now is 612.1 secs Computing kpt #: 191 total cpu time spent up to now is 614.7 secs Computing kpt #: 192 total cpu time spent up to now is 617.2 secs Computing kpt #: 193 total cpu time spent up to now is 619.9 secs Computing kpt #: 194 total cpu time spent up to now is 622.5 secs Computing kpt #: 195 total cpu time spent up to now is 625.2 secs Computing kpt #: 196 total cpu time spent up to now is 627.9 secs Computing kpt #: 197 total cpu time spent up to now is 632.4 secs Computing kpt #: 198 total cpu time spent up to now is 635.6 secs Computing kpt #: 199 total cpu time spent up to now is 638.4 secs Computing kpt #: 200 total cpu time spent up to now is 641.5 secs Computing kpt #: 201 total cpu time spent up to now is 644.6 secs Computing kpt #: 202 total cpu time spent up to now is 647.7 secs Computing kpt #: 203 total cpu time spent up to now is 650.8 secs Computing kpt #: 204 total cpu time spent up to now is 653.9 secs Computing kpt #: 205 total cpu time spent up to now is 657.0 secs Computing kpt #: 206 total cpu time spent up to now is 660.1 secs Computing kpt #: 207 total cpu time spent up to now is 663.2 secs Computing kpt #: 208 total cpu time spent up to now is 666.2 secs Computing kpt #: 209 total cpu time spent up to now is 669.2 secs Computing kpt #: 210 total cpu time spent up to now is 671.9 secs Computing kpt #: 211 total cpu time spent up to now is 674.6 secs Computing kpt #: 212 total cpu time spent up to now is 677.3 secs Computing kpt #: 213 total cpu time spent up to now is 680.4 secs Computing kpt #: 214 total cpu time spent up to now is 683.1 secs Computing kpt #: 215 total cpu time spent up to now is 686.1 secs Computing kpt #: 216 total cpu time spent up to now is 689.0 secs Computing kpt #: 217 total cpu time spent up to now is 691.9 secs Computing kpt #: 218 total cpu time spent up to now is 694.8 secs Computing kpt #: 219 total cpu time spent up to now is 697.5 secs Computing kpt #: 220 total cpu time spent up to now is 700.1 secs Computing kpt #: 221 total cpu time spent up to now is 702.8 secs Computing kpt #: 222 total cpu time spent up to now is 705.4 secs Computing kpt #: 223 total cpu time spent up to now is 708.1 secs Computing kpt #: 224 total cpu time spent up to now is 710.7 secs Computing kpt #: 225 total cpu time spent up to now is 713.3 secs Computing kpt #: 226 total cpu time spent up to now is 715.9 secs Computing kpt #: 227 total cpu time spent up to now is 718.5 secs Computing kpt #: 228 total cpu time spent up to now is 721.1 secs Computing kpt #: 229 total cpu time spent up to now is 724.0 secs Computing kpt #: 230 total cpu time spent up to now is 726.6 secs Computing kpt #: 231 total cpu time spent up to now is 729.2 secs Computing kpt #: 232 total cpu time spent up to now is 731.9 secs Computing kpt #: 233 total cpu time spent up to now is 734.6 secs Computing kpt #: 234 total cpu time spent up to now is 737.5 secs Computing kpt #: 235 total cpu time spent up to now is 740.5 secs Computing kpt #: 236 total cpu time spent up to now is 743.4 secs Computing kpt #: 237 total cpu time spent up to now is 746.5 secs Computing kpt #: 238 total cpu time spent up to now is 750.1 secs Computing kpt #: 239 total cpu time spent up to now is 753.7 secs Computing kpt #: 240 total cpu time spent up to now is 757.2 secs Computing kpt #: 241 total cpu time spent up to now is 760.5 secs Computing kpt #: 242 total cpu time spent up to now is 763.8 secs Computing kpt #: 243 total cpu time spent up to now is 767.0 secs Computing kpt #: 244 total cpu time spent up to now is 770.3 secs Computing kpt #: 245 total cpu time spent up to now is 773.5 secs Computing kpt #: 246 total cpu time spent up to now is 776.6 secs Computing kpt #: 247 total cpu time spent up to now is 779.8 secs Computing kpt #: 248 total cpu time spent up to now is 783.0 secs Computing kpt #: 249 total cpu time spent up to now is 786.3 secs Computing kpt #: 250 total cpu time spent up to now is 789.5 secs Computing kpt #: 251 total cpu time spent up to now is 793.0 secs Computing kpt #: 252 total cpu time spent up to now is 796.4 secs Computing kpt #: 253 total cpu time spent up to now is 799.9 secs Computing kpt #: 254 total cpu time spent up to now is 803.2 secs Computing kpt #: 255 total cpu time spent up to now is 806.6 secs ethr = 1.79E-11, avg # of iterations = 48.9 total cpu time spent up to now is 806.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7441 PWs) bands (ev): -20.6975 -20.6975 -20.6951 -20.6951 -7.3986 -7.3986 -7.3315 -7.3315 -5.8118 -5.8118 -5.6864 -5.6864 -5.3830 -5.3830 -5.3652 -5.3652 -5.3364 -5.3364 -5.1942 -5.1942 -3.5154 -3.5154 -3.3563 -3.3563 -2.2583 -2.2583 -1.9827 -1.9827 2.6170 2.6170 2.7074 2.7074 3.3795 3.3795 4.0419 4.0419 4.2852 4.2852 4.6088 4.6088 4.6381 4.6381 5.1355 5.1355 5.8332 5.8332 5.9246 5.9246 6.2549 6.2549 6.3470 6.3470 6.6565 6.6565 6.8559 6.8559 7.5883 7.5883 7.9965 7.9965 8.6275 8.6275 8.8501 8.8501 9.0798 9.0798 9.5439 9.5439 k = 0.0000 0.0250-0.0000 ( 7427 PWs) bands (ev): -20.6975 -20.6975 -20.6951 -20.6951 -7.3986 -7.3985 -7.3319 -7.3314 -5.8130 -5.8123 -5.6872 -5.6867 -5.3862 -5.3862 -5.3682 -5.3583 -5.3448 -5.3223 -5.1988 -5.1874 -3.5167 -3.5155 -3.3575 -3.3574 -2.2578 -2.2574 -1.9833 -1.9831 2.6173 2.6195 2.7064 2.7107 3.3791 3.3863 4.0359 4.0407 4.2610 4.3106 4.5809 4.5978 4.6436 4.6657 5.1086 5.1650 5.8310 5.8311 5.9172 5.9343 6.2470 6.2540 6.3464 6.3502 6.6528 6.6567 6.8523 6.8530 7.5828 7.6024 7.9960 7.9999 8.6239 8.6344 8.8454 8.8527 9.0722 9.0808 9.5478 9.5484 k = 0.0000 0.0500-0.0000 ( 7419 PWs) bands (ev): -20.6974 -20.6974 -20.6951 -20.6951 -7.3986 -7.3983 -7.3326 -7.3317 -5.8159 -5.8146 -5.6891 -5.6882 -5.3939 -5.3918 -5.3679 -5.3563 -5.3400 -5.3060 -5.2005 -5.1784 -3.5195 -3.5170 -3.3609 -3.3608 -2.2560 -2.2553 -1.9849 -1.9844 2.6201 2.6246 2.7079 2.7163 3.3850 3.3992 4.0236 4.0310 4.2385 4.3362 4.5514 4.5598 4.6693 4.6902 5.0851 5.1964 5.8242 5.8251 5.9129 5.9451 6.2325 6.2435 6.3486 6.3545 6.6451 6.6537 6.8432 6.8437 7.5855 7.6249 7.9986 8.0060 8.6230 8.6427 8.8383 8.8549 9.0584 9.0761 9.5600 9.5614 k = 0.0000 0.0750-0.0000 ( 7411 PWs) bands (ev): -20.6974 -20.6974 -20.6951 -20.6951 -7.3985 -7.3980 -7.3337 -7.3324 -5.8203 -5.8183 -5.6926 -5.6909 -5.4031 -5.3963 -5.3666 -5.3575 -5.3271 -5.2896 -5.1988 -5.1675 -3.5235 -3.5198 -3.3664 -3.3663 -2.2529 -2.2518 -1.9874 -1.9866 2.6256 2.6325 2.7118 2.7243 3.3970 3.4180 4.0062 4.0128 4.2175 4.3615 4.5168 4.5234 4.6920 4.7097 5.0664 5.2291 5.8128 5.8157 5.9119 5.9560 6.2132 6.2241 6.3523 6.3584 6.6337 6.6480 6.8294 6.8306 7.5957 7.6549 8.0041 8.0143 8.6221 8.6486 8.8293 8.8593 9.0400 9.0680 9.5806 9.5828 k = 0.0000 0.1000-0.0000 ( 7411 PWs) bands (ev): -20.6974 -20.6974 -20.6952 -20.6952 -7.3983 -7.3976 -7.3352 -7.3334 -5.8258 -5.8231 -5.6978 -5.6953 -5.4114 -5.3989 -5.3646 -5.3580 -5.3122 -5.2747 -5.1928 -5.1549 -3.5289 -3.5240 -3.3740 -3.3739 -2.2487 -2.2472 -1.9909 -1.9898 2.6338 2.6432 2.7186 2.7347 3.4146 3.4419 3.9846 3.9868 4.1968 4.3858 4.4702 4.4984 4.7094 4.7240 5.0539 5.2629 5.7975 5.8022 5.9137 5.9663 6.1907 6.1966 6.3556 6.3610 6.6193 6.6399 6.8121 6.8168 7.6123 7.6914 8.0122 8.0241 8.6176 8.6476 8.8189 8.8681 9.0200 9.0599 9.6096 9.6126 k = 0.0000 0.1250-0.0000 ( 7407 PWs) bands (ev): -20.6974 -20.6974 -20.6952 -20.6952 -7.3980 -7.3972 -7.3369 -7.3347 -5.8320 -5.8285 -5.7048 -5.7014 -5.4177 -5.3996 -5.3620 -5.3580 -5.2963 -5.2623 -5.1821 -5.1409 -3.5354 -3.5294 -3.3834 -3.3833 -2.2434 -2.2416 -1.9951 -1.9938 2.6446 2.6565 2.7283 2.7477 3.4369 3.4698 3.9547 3.9599 4.1744 4.4064 4.4228 4.4778 4.7205 4.7334 5.0488 5.2975 5.7793 5.7838 5.9176 5.9754 6.1616 6.1665 6.3569 6.3620 6.6034 6.6299 6.7938 6.8034 7.6341 7.7333 8.0224 8.0346 8.6065 8.6370 8.8066 8.8796 9.0030 9.0557 9.6205 9.6276 k = 0.0000 0.1500-0.0000 ( 7399 PWs) bands (ev): -20.6973 -20.6973 -20.6952 -20.6952 -7.3976 -7.3966 -7.3389 -7.3363 -5.8386 -5.8344 -5.7135 -5.7093 -5.4218 -5.3986 -5.3588 -5.3579 -5.2796 -5.2520 -5.1672 -5.1258 -3.5428 -3.5357 -3.3945 -3.3943 -2.2373 -2.2351 -2.0002 -1.9986 2.6580 2.6726 2.7413 2.7634 3.4627 3.5003 3.9186 3.9335 4.1487 4.3659 4.4320 4.4625 4.7248 4.7382 5.0513 5.3328 5.7585 5.7593 5.9232 5.9828 6.1194 6.1425 6.3554 6.3610 6.5884 6.6190 6.7760 6.7910 7.6603 7.7797 8.0343 8.0449 8.5874 8.6166 8.7904 8.8864 8.9971 9.0586 9.6272 9.6329 k = 0.0000 0.1750-0.0000 ( 7387 PWs) bands (ev): -20.6973 -20.6973 -20.6953 -20.6953 -7.3971 -7.3960 -7.3412 -7.3383 -5.8451 -5.8403 -5.7236 -5.7189 -5.4238 -5.3967 -5.3577 -5.3553 -5.2621 -5.2425 -5.1497 -5.1101 -3.5510 -3.5429 -3.4070 -3.4065 -2.2303 -2.2278 -2.0061 -2.0041 2.6741 2.6911 2.7579 2.7821 3.4898 3.5306 3.8810 3.9077 4.1192 4.3109 4.4520 4.4525 4.7234 4.7389 5.0606 5.3684 5.7271 5.7351 5.9302 5.9880 6.0711 6.1207 6.3504 6.3581 6.5763 6.6079 6.7596 6.7798 7.6902 7.8296 8.0470 8.0539 8.5613 8.5881 8.7687 8.8813 9.0080 9.0696 9.6337 9.6369 k = 0.0000 0.2000-0.0000 ( 7391 PWs) bands (ev): -20.6972 -20.6972 -20.6953 -20.6953 -7.3965 -7.3952 -7.3437 -7.3404 -5.8514 -5.8459 -5.7348 -5.7298 -5.4240 -5.3942 -5.3578 -5.3517 -5.2439 -5.2323 -5.1310 -5.0941 -3.5597 -3.5507 -3.4207 -3.4199 -2.2228 -2.2199 -2.0125 -2.0103 2.6928 2.7119 2.7787 2.8039 3.5149 3.5564 3.8450 3.8863 4.0866 4.2543 4.4474 4.4707 4.7177 4.7362 5.0747 5.4043 5.6864 5.7090 5.9385 5.9903 6.0181 6.1031 6.3417 6.3532 6.5683 6.5976 6.7449 6.7697 7.7229 7.8822 8.0600 8.0610 8.5300 8.5533 8.7416 8.8674 9.0314 9.0875 9.6393 9.6393 k = 0.0000 0.2250-0.0000 ( 7405 PWs) bands (ev): -20.6972 -20.6972 -20.6954 -20.6954 -7.3958 -7.3943 -7.3464 -7.3428 -5.8572 -5.8512 -5.7466 -5.7417 -5.4227 -5.3915 -5.3581 -5.3486 -5.2251 -5.2207 -5.1122 -5.0784 -3.5686 -3.5588 -3.4353 -3.4340 -2.2147 -2.2115 -2.0196 -2.0171 2.7141 2.7347 2.8038 2.8290 3.5325 3.5715 3.8144 3.8741 4.0533 4.1979 4.4465 4.4879 4.7096 4.7308 5.0912 5.4401 5.6367 5.6796 5.9474 5.9635 5.9894 6.0910 6.3298 6.3464 6.5647 6.5891 6.7317 6.7601 7.7579 7.9370 8.0657 8.0725 8.4953 8.5138 8.7105 8.8506 9.0604 9.1102 9.6400 9.6438 k = 0.0000 0.2500-0.0000 ( 7407 PWs) bands (ev): -20.6971 -20.6971 -20.6954 -20.6954 -7.3950 -7.3933 -7.3492 -7.3454 -5.8623 -5.8559 -5.7588 -5.7542 -5.4203 -5.3887 -5.3587 -5.3463 -5.2072 -5.2057 -5.0942 -5.0634 -3.5774 -3.5669 -3.4507 -3.4488 -2.2063 -2.2027 -2.0272 -2.0244 2.7379 2.7595 2.8337 2.8577 3.5358 3.5701 3.7923 3.8739 4.0238 4.1453 4.4485 4.5036 4.7003 4.7235 5.1076 5.4753 5.5792 5.6465 5.9079 5.9591 5.9853 6.0845 6.3154 6.3376 6.5650 6.5829 6.7199 6.7510 7.7947 7.9934 8.0680 8.0841 8.4589 8.4713 8.6769 8.8334 9.0915 9.1361 9.6386 9.6467 k = 0.0000 0.2750-0.0000 ( 7401 PWs) bands (ev): -20.6970 -20.6970 -20.6955 -20.6955 -7.3941 -7.3921 -7.3521 -7.3482 -5.8666 -5.8600 -5.7711 -5.7670 -5.4172 -5.3859 -5.3596 -5.3448 -5.1918 -5.1858 -5.0777 -5.0497 -3.5857 -3.5747 -3.4665 -3.4640 -2.1976 -2.1937 -2.0352 -2.0321 2.7641 2.7861 2.8682 2.8899 3.5207 3.5512 3.7759 3.8783 4.0057 4.1053 4.4527 4.5182 4.6907 4.7151 5.1211 5.4975 5.5271 5.6099 5.8567 5.9710 5.9786 6.0827 6.2990 6.3271 6.5685 6.5793 6.7092 6.7420 7.8324 8.0504 8.0686 8.0944 8.4222 8.4271 8.6419 8.8162 9.1235 9.1641 9.6349 9.6472 k = 0.0000 0.3000-0.0000 ( 7403 PWs) bands (ev): -20.6970 -20.6970 -20.6956 -20.6956 -7.3929 -7.3908 -7.3551 -7.3511 -5.8700 -5.8632 -5.7831 -5.7797 -5.4136 -5.3831 -5.3609 -5.3443 -5.1749 -5.1657 -5.0631 -5.0376 -3.5931 -3.5817 -3.4826 -3.4793 -2.1888 -2.1846 -2.0436 -2.0401 2.7927 2.8147 2.9073 2.9259 3.4898 3.5188 3.7543 3.8678 4.0077 4.0940 4.4578 4.5315 4.6813 4.7068 5.1281 5.4376 5.5511 5.5720 5.8106 5.9695 5.9840 6.0847 6.2813 6.3149 6.5744 6.5783 6.6992 6.7331 7.8703 8.0664 8.1035 8.1092 8.3826 8.3862 8.6065 8.7985 9.1563 9.1939 9.6283 9.6448 k = 0.0000 0.3250-0.0000 ( 7401 PWs) bands (ev): -20.6969 -20.6969 -20.6957 -20.6957 -7.3917 -7.3893 -7.3582 -7.3540 -5.8724 -5.8656 -5.7947 -5.7922 -5.4098 -5.3802 -5.3625 -5.3447 -5.1569 -5.1455 -5.0508 -5.0275 -3.5994 -3.5877 -3.4987 -3.4946 -2.1798 -2.1754 -2.0522 -2.0485 2.8237 2.8454 2.9506 2.9654 3.4488 3.4780 3.7201 3.8303 4.0320 4.1188 4.4627 4.5439 4.6725 4.7001 5.1241 5.3628 5.5372 5.5855 5.7702 5.9581 5.9983 6.0897 6.2626 6.3012 6.5797 6.5821 6.6898 6.7242 7.9076 8.0645 8.1117 8.1667 8.3391 8.3523 8.5711 8.7792 9.1898 9.2253 9.6184 9.6388 k = 0.0000 0.3500-0.0000 ( 7408 PWs) bands (ev): -20.6968 -20.6968 -20.6957 -20.6957 -7.3903 -7.3877 -7.3612 -7.3570 -5.8737 -5.8671 -5.8058 -5.8041 -5.4057 -5.3774 -5.3645 -5.3457 -5.1385 -5.1257 -5.0411 -5.0197 -3.6042 -3.5924 -3.5146 -3.5097 -2.1707 -2.1661 -2.0611 -2.0571 2.8570 2.8783 2.9978 3.0085 3.4021 3.4323 3.6747 3.7747 4.0725 4.1678 4.4659 4.5551 4.6647 4.6966 5.1045 5.2849 5.5114 5.6201 5.7346 5.9443 6.0136 6.0974 6.2433 6.2862 6.5834 6.5910 6.6808 6.7151 7.9433 8.0628 8.1191 8.2218 8.2995 8.3216 8.5359 8.7575 9.2242 9.2583 9.6047 9.6284 k = 0.0000 0.3750-0.0000 ( 7414 PWs) bands (ev): -20.6967 -20.6967 -20.6958 -20.6958 -7.3887 -7.3859 -7.3643 -7.3601 -5.8740 -5.8675 -5.8161 -5.8154 -5.4016 -5.3745 -5.3668 -5.3473 -5.1202 -5.1064 -5.0343 -5.0145 -3.6073 -3.5954 -3.5300 -3.5242 -2.1616 -2.1568 -2.0701 -2.0658 2.8926 2.9135 3.0483 3.0549 3.3526 3.3845 3.6223 3.7105 4.1222 4.2290 4.4657 4.5647 4.6588 4.6985 5.0675 5.2057 5.4985 5.6543 5.7026 5.9280 6.0298 6.1073 6.2234 6.2702 6.5888 6.6009 6.6720 6.7058 7.9762 8.0623 8.1256 8.2438 8.2945 8.2964 8.5010 8.7325 9.2595 9.2928 9.5869 9.6134 k = 0.0000 0.4000-0.0000 ( 7410 PWs) bands (ev): -20.6966 -20.6966 -20.6959 -20.6959 -7.3870 -7.3839 -7.3673 -7.3631 -5.8731 -5.8670 -5.8259 -5.8257 -5.3975 -5.3716 -5.3693 -5.3493 -5.1024 -5.0881 -5.0306 -5.0121 -3.6084 -3.5966 -3.5447 -3.5381 -2.1525 -2.1475 -2.0792 -2.0747 2.9305 2.9510 3.1010 3.1044 3.3019 3.3368 3.5656 3.6427 4.1760 4.2956 4.4602 4.5714 4.6566 4.7083 5.0150 5.1269 5.4985 5.6730 5.6877 5.9091 6.0470 6.1194 6.2033 6.2532 6.5955 6.6114 6.6634 6.6962 8.0054 8.0640 8.1296 8.2130 8.2798 8.3445 8.4662 8.7037 9.2957 9.3285 9.5650 9.5937 k = 0.0000 0.4250-0.0000 ( 7416 PWs) bands (ev): -20.6966 -20.6965 -20.6960 -20.6960 -7.3850 -7.3818 -7.3702 -7.3661 -5.8711 -5.8655 -5.8355 -5.8344 -5.3934 -5.3721 -5.3686 -5.3516 -5.0857 -5.0710 -5.0300 -5.0125 -3.6073 -3.5959 -3.5585 -3.5509 -2.1434 -2.1383 -2.0883 -2.0836 2.9706 2.9906 3.1522 3.1566 3.2511 3.2935 3.5067 3.5735 4.2301 4.3632 4.4483 4.5726 4.6618 4.7276 4.9521 5.0502 5.5083 5.6451 5.7203 5.8879 6.0650 6.1332 6.1831 6.2357 6.6032 6.6222 6.6548 6.6864 8.0306 8.0685 8.1284 8.1805 8.2755 8.3982 8.4317 8.6708 9.3326 9.3651 9.5391 9.5693 k = 0.0000 0.4500-0.0000 ( 7424 PWs) bands (ev): -20.6965 -20.6965 -20.6961 -20.6961 -7.3829 -7.3795 -7.3730 -7.3690 -5.8680 -5.8629 -5.8441 -5.8421 -5.3895 -5.3752 -5.3657 -5.3542 -5.0706 -5.0556 -5.0325 -5.0158 -3.6041 -3.5931 -3.5710 -3.5626 -2.1342 -2.1291 -2.0975 -2.0927 3.0129 3.0322 3.1823 3.1997 3.2126 3.2745 3.4467 3.5043 4.2817 4.4270 4.4292 4.5658 4.6785 4.7576 4.8844 4.9771 5.5246 5.6184 5.7519 5.8643 6.0837 6.1484 6.1628 6.2178 6.6115 6.6332 6.6462 6.6763 8.0524 8.0766 8.1200 8.1512 8.2851 8.3976 8.4507 8.6339 9.3697 9.4021 9.5096 9.5409 k = 0.0000 0.4750-0.0000 ( 7422 PWs) bands (ev): -20.6964 -20.6964 -20.6962 -20.6962 -7.3807 -7.3771 -7.3757 -7.3718 -5.8637 -5.8592 -5.8517 -5.8488 -5.3857 -5.3785 -5.3627 -5.3569 -5.0573 -5.0421 -5.0380 -5.0220 -3.5988 -3.5882 -3.5820 -3.5728 -2.1251 -2.1199 -2.1067 -2.1017 3.0572 3.0754 3.1513 3.1605 3.2685 3.3111 3.3866 3.4362 4.3286 4.4028 4.4815 4.5497 4.7100 4.7984 4.8174 4.9096 5.5450 5.5926 5.7824 5.8388 6.1029 6.1426 6.1649 6.1998 6.6201 6.6376 6.6443 6.6658 8.0719 8.0888 8.1064 8.1260 8.3057 8.3644 8.5011 8.5931 9.4066 9.4389 9.4773 9.5092 k = 0.0000 0.5000-0.0000 ( 7434 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3783 -7.3783 -7.3745 -7.3745 -5.8583 -5.8583 -5.8545 -5.8545 -5.3820 -5.3820 -5.3598 -5.3598 -5.0464 -5.0464 -5.0308 -5.0308 -3.5913 -3.5913 -3.5815 -3.5815 -2.1159 -2.1159 -2.1108 -2.1108 3.1034 3.1034 3.1192 3.1192 3.3270 3.3270 3.3707 3.3707 4.3692 4.3692 4.5224 4.5224 4.7573 4.7573 4.8494 4.8494 5.5680 5.5680 5.8114 5.8114 6.1226 6.1226 6.1821 6.1821 6.6288 6.6288 6.6552 6.6552 8.0899 8.0899 8.1052 8.1052 8.3332 8.3332 8.5487 8.5487 9.4427 9.4427 9.4749 9.4749 k = 0.0000 0.5000-0.0000 ( 7434 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3783 -7.3783 -7.3745 -7.3745 -5.8583 -5.8583 -5.8545 -5.8545 -5.3820 -5.3820 -5.3598 -5.3598 -5.0464 -5.0464 -5.0308 -5.0308 -3.5913 -3.5913 -3.5815 -3.5815 -2.1159 -2.1159 -2.1108 -2.1108 3.1034 3.1034 3.1192 3.1192 3.3270 3.3270 3.3707 3.3707 4.3692 4.3692 4.5224 4.5224 4.7573 4.7573 4.8494 4.8494 5.5680 5.5680 5.8114 5.8114 6.1226 6.1226 6.1821 6.1821 6.6288 6.6288 6.6552 6.6552 8.0899 8.0899 8.1052 8.1052 8.3332 8.3332 8.5487 8.5487 9.4427 9.4427 9.4749 9.4749 k = 0.0250 0.5000-0.0000 ( 7418 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3784 -7.3784 -7.3746 -7.3746 -5.8593 -5.8593 -5.8548 -5.8548 -5.3810 -5.3810 -5.3589 -5.3589 -5.0457 -5.0457 -5.0300 -5.0300 -3.5930 -3.5930 -3.5831 -3.5831 -2.1148 -2.1148 -2.1098 -2.1098 3.0865 3.0865 3.1159 3.1159 3.3311 3.3311 3.3872 3.3872 4.3692 4.3692 4.5226 4.5226 4.7584 4.7584 4.8524 4.8524 5.5676 5.5676 5.8103 5.8103 6.1227 6.1227 6.1822 6.1822 6.6231 6.6231 6.6514 6.6514 8.0631 8.0631 8.1295 8.1295 8.3336 8.3336 8.5526 8.5526 9.4453 9.4453 9.4773 9.4773 k = 0.0500 0.5000-0.0000 ( 7418 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3786 -7.3786 -7.3748 -7.3748 -5.8622 -5.8622 -5.8559 -5.8559 -5.3782 -5.3782 -5.3562 -5.3562 -5.0437 -5.0437 -5.0278 -5.0278 -3.5980 -3.5980 -3.5882 -3.5882 -2.1118 -2.1118 -2.1067 -2.1067 3.0531 3.0531 3.0950 3.0950 3.3499 3.3499 3.4241 3.4241 4.3691 4.3691 4.5230 4.5230 4.7619 4.7619 4.8612 4.8612 5.5663 5.5663 5.8073 5.8073 6.1231 6.1231 6.1827 6.1827 6.6065 6.6065 6.6402 6.6402 8.0293 8.0293 8.1544 8.1544 8.3366 8.3366 8.5640 8.5640 9.4532 9.4532 9.4844 9.4844 k = 0.0750 0.5000-0.0000 ( 7422 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3790 -7.3790 -7.3752 -7.3752 -5.8664 -5.8664 -5.8581 -5.8581 -5.3736 -5.3736 -5.3521 -5.3521 -5.0405 -5.0405 -5.0240 -5.0240 -3.6061 -3.6061 -3.5964 -3.5964 -2.1067 -2.1067 -2.1018 -2.1018 3.0136 3.0136 3.0597 3.0597 3.3822 3.3822 3.4693 3.4693 4.3688 4.3688 4.5235 4.5235 4.7681 4.7681 4.8753 4.8753 5.5642 5.5642 5.8024 5.8024 6.1231 6.1231 6.1837 6.1837 6.5801 6.5801 6.6218 6.6218 7.9951 7.9951 8.1688 8.1688 8.3464 8.3464 8.5820 8.5820 9.4662 9.4662 9.4960 9.4960 k = 0.1000 0.5000-0.0000 ( 7414 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3796 -7.3796 -7.3758 -7.3758 -5.8715 -5.8715 -5.8614 -5.8614 -5.3675 -5.3675 -5.3465 -5.3465 -5.0358 -5.0358 -5.0187 -5.0187 -3.6172 -3.6172 -3.6077 -3.6077 -2.0999 -2.0999 -2.0950 -2.0950 2.9714 2.9714 3.0172 3.0172 3.4220 3.4220 3.5182 3.5182 4.3682 4.3682 4.5242 4.5242 4.7775 4.7775 4.8940 4.8940 5.5614 5.5614 5.7956 5.7956 6.1220 6.1220 6.1853 6.1853 6.5454 6.5454 6.5970 6.5970 7.9614 7.9614 8.1692 8.1692 8.3662 8.3662 8.6052 8.6052 9.4842 9.4842 9.5118 9.5118 k = 0.1250 0.5000-0.0000 ( 7412 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3803 -7.3803 -7.3765 -7.3765 -5.8774 -5.8774 -5.8658 -5.8658 -5.3602 -5.3602 -5.3400 -5.3400 -5.0297 -5.0297 -5.0119 -5.0119 -3.6311 -3.6311 -3.6217 -3.6217 -2.0916 -2.0916 -2.0868 -2.0868 2.9283 2.9283 2.9717 2.9717 3.4657 3.4657 3.5691 3.5691 4.3670 4.3670 4.5248 4.5248 4.7901 4.7901 4.9167 4.9167 5.5580 5.5580 5.7872 5.7872 6.1189 6.1189 6.1877 6.1877 6.5037 6.5037 6.5673 6.5673 7.9286 7.9286 8.1571 8.1571 8.3942 8.3942 8.6317 8.6317 9.5070 9.5070 9.5316 9.5316 k = 0.1500 0.5000-0.0000 ( 7408 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3811 -7.3811 -7.3773 -7.3773 -5.8838 -5.8838 -5.8709 -5.8709 -5.3520 -5.3520 -5.3327 -5.3327 -5.0221 -5.0221 -5.0037 -5.0037 -3.6474 -3.6474 -3.6382 -3.6382 -2.0818 -2.0818 -2.0772 -2.0772 2.8853 2.8853 2.9253 2.9253 3.5115 3.5115 3.6210 3.6210 4.3649 4.3649 4.5250 4.5250 4.8061 4.8061 4.9427 4.9427 5.5539 5.5539 5.7772 5.7772 6.1125 6.1125 6.1911 6.1911 6.4563 6.4563 6.5344 6.5344 7.8972 7.8972 8.1369 8.1369 8.4262 8.4262 8.6594 8.6594 9.5345 9.5345 9.5554 9.5554 k = 0.1750 0.5000-0.0000 ( 7414 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3819 -7.3819 -7.3782 -7.3782 -5.8904 -5.8904 -5.8768 -5.8768 -5.3434 -5.3434 -5.3251 -5.3251 -5.0131 -5.0131 -4.9941 -4.9941 -3.6657 -3.6657 -3.6567 -3.6567 -2.0711 -2.0711 -2.0666 -2.0666 2.8430 2.8430 2.8793 2.8793 3.5587 3.5587 3.6734 3.6734 4.3617 4.3617 4.5249 4.5249 4.8255 4.8255 4.9715 4.9715 5.5496 5.5496 5.7657 5.7657 6.1016 6.1016 6.1953 6.1953 6.4047 6.4047 6.5002 6.5002 7.8679 7.8679 8.1120 8.1120 8.4583 8.4583 8.6862 8.6862 9.5662 9.5662 9.5833 9.5833 k = 0.2000 0.5000-0.0000 ( 7420 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3829 -7.3829 -7.3792 -7.3792 -5.8971 -5.8971 -5.8830 -5.8830 -5.3345 -5.3345 -5.3175 -5.3175 -5.0026 -5.0026 -4.9832 -4.9832 -3.6856 -3.6856 -3.6769 -3.6769 -2.0596 -2.0596 -2.0553 -2.0553 2.8020 2.8020 2.8346 2.8346 3.6067 3.6067 3.7262 3.7262 4.3573 4.3573 4.5239 4.5239 4.8478 4.8478 5.0025 5.0025 5.5450 5.5450 5.7529 5.7529 6.0853 6.0853 6.1997 6.1997 6.3503 6.3503 6.4669 6.4669 7.8414 7.8414 8.0852 8.0852 8.4881 8.4881 8.7100 8.7100 9.6015 9.6015 9.6153 9.6153 k = 0.2250 0.5000-0.0000 ( 7412 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3838 -7.3838 -7.3803 -7.3803 -5.9037 -5.9037 -5.8895 -5.8895 -5.3257 -5.3257 -5.3101 -5.3101 -4.9908 -4.9908 -4.9712 -4.9712 -3.7068 -3.7068 -3.6984 -3.6984 -2.0476 -2.0476 -2.0435 -2.0435 2.7626 2.7626 2.7916 2.7916 3.6551 3.6551 3.7791 3.7791 4.3515 4.3515 4.5219 4.5219 4.8729 4.8729 5.0353 5.0353 5.5405 5.5405 5.7389 5.7389 6.0626 6.0626 6.2027 6.2027 6.2955 6.2955 6.4361 6.4361 7.8184 7.8184 8.0580 8.0580 8.5141 8.5141 8.7292 8.7292 9.6392 9.6392 9.6517 9.6517 k = 0.2500 0.5000-0.0000 ( 7414 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3848 -7.3848 -7.3814 -7.3814 -5.9101 -5.9101 -5.8961 -5.8961 -5.3173 -5.3173 -5.3031 -5.3031 -4.9778 -4.9778 -4.9583 -4.9583 -3.7287 -3.7287 -3.7206 -3.7206 -2.0355 -2.0355 -2.0316 -2.0316 2.7253 2.7253 2.7508 2.7508 3.7038 3.7038 3.8319 3.8319 4.3440 4.3440 4.5184 4.5184 4.9005 4.9005 5.0694 5.0694 5.5363 5.5363 5.7239 5.7239 6.0334 6.0334 6.1953 6.1953 6.2499 6.2499 6.4090 6.4090 7.7995 7.7995 8.0317 8.0317 8.5355 8.5355 8.7425 8.7425 9.6788 9.6788 9.6918 9.6918 k = 0.2750 0.5000-0.0000 ( 7416 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3857 -7.3857 -7.3825 -7.3825 -5.9160 -5.9160 -5.9025 -5.9025 -5.3095 -5.3095 -5.2966 -5.2966 -4.9639 -4.9639 -4.9448 -4.9448 -3.7508 -3.7508 -3.7431 -3.7431 -2.0235 -2.0235 -2.0200 -2.0200 2.6905 2.6905 2.7127 2.7127 3.7523 3.7523 3.8845 3.8845 4.3348 4.3348 4.5130 4.5130 4.9302 4.9302 5.1042 5.1042 5.5327 5.5327 5.7082 5.7082 5.9980 5.9980 6.1557 6.1557 6.2360 6.2360 6.3864 6.3864 7.7851 7.7851 8.0068 8.0068 8.5522 8.5522 8.7493 8.7493 9.7195 9.7195 9.7339 9.7339 k = 0.3000 0.5000-0.0000 ( 7416 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3866 -7.3866 -7.3836 -7.3836 -5.9214 -5.9214 -5.9088 -5.9088 -5.3023 -5.3023 -5.2909 -5.2909 -4.9494 -4.9494 -4.9311 -4.9311 -3.7726 -3.7726 -3.7654 -3.7654 -2.0120 -2.0120 -2.0087 -2.0087 2.6585 2.6585 2.6776 2.6776 3.8005 3.8005 3.9367 3.9367 4.3238 4.3238 4.5053 4.5053 4.9618 4.9618 5.1390 5.1390 5.5300 5.5300 5.6921 5.6921 5.9576 5.9576 6.0996 6.0996 6.2385 6.2385 6.3679 6.3679 7.7756 7.7756 7.9838 7.9838 8.5648 8.5648 8.7498 8.7498 9.7607 9.7607 9.7762 9.7762 k = 0.3250 0.5000-0.0000 ( 7418 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3875 -7.3875 -7.3847 -7.3847 -5.9262 -5.9262 -5.9146 -5.9146 -5.2959 -5.2959 -5.2860 -5.2860 -4.9347 -4.9347 -4.9176 -4.9176 -3.7937 -3.7937 -3.7869 -3.7869 -2.0011 -2.0011 -1.9982 -1.9982 2.6295 2.6295 2.6457 2.6457 3.8480 3.8480 3.9881 3.9881 4.3108 4.3108 4.4949 4.4949 4.9949 4.9949 5.1731 5.1731 5.5287 5.5287 5.6762 5.6762 5.9139 5.9139 6.0409 6.0409 6.2441 6.2441 6.3529 6.3529 7.7709 7.7709 7.9627 7.9627 8.5740 8.5740 8.7445 8.7445 9.8011 9.8011 9.8171 9.8171 k = 0.3500 0.5000-0.0000 ( 7428 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3882 -7.3882 -7.3858 -7.3858 -5.9304 -5.9304 -5.9201 -5.9201 -5.2902 -5.2902 -5.2818 -5.2818 -4.9203 -4.9203 -4.9047 -4.9047 -3.8133 -3.8133 -3.8072 -3.8072 -1.9911 -1.9911 -1.9886 -1.9886 2.6040 2.6040 2.6175 2.6175 3.8946 3.8946 4.0384 4.0384 4.2959 4.2959 4.4813 4.4813 5.0294 5.0294 5.2051 5.2051 5.5291 5.5291 5.6613 5.6613 5.8687 5.8687 5.9823 5.9823 6.2506 6.2506 6.3406 6.3406 7.7709 7.7709 7.9432 7.9432 8.5810 8.5810 8.7343 8.7343 9.8395 9.8395 9.8551 9.8551 k = 0.3750 0.5000-0.0000 ( 7432 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3888 -7.3888 -7.3867 -7.3867 -5.9338 -5.9338 -5.9249 -5.9249 -5.2854 -5.2854 -5.2784 -5.2784 -4.9066 -4.9066 -4.8929 -4.8929 -3.8310 -3.8310 -3.8257 -3.8257 -1.9823 -1.9823 -1.9801 -1.9801 2.5820 2.5820 2.5930 2.5930 3.9398 3.9398 4.0868 4.0868 4.2793 4.2793 4.4642 4.4642 5.0650 5.0650 5.2332 5.2332 5.5318 5.5318 5.6487 5.6487 5.8241 5.8241 5.9251 5.9251 6.2573 6.2573 6.3302 6.3302 7.7753 7.7753 7.9250 7.9250 8.5869 8.5869 8.7203 8.7203 9.8745 9.8745 9.8888 9.8888 k = 0.4000 0.5000-0.0000 ( 7424 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3893 -7.3893 -7.3876 -7.3876 -5.9365 -5.9365 -5.9292 -5.9292 -5.2814 -5.2814 -5.2758 -5.2758 -4.8942 -4.8942 -4.8828 -4.8828 -3.8463 -3.8463 -3.8418 -3.8418 -1.9748 -1.9748 -1.9730 -1.9730 2.5639 2.5639 2.5725 2.5725 3.9834 3.9834 4.1319 4.1319 4.2623 4.2623 4.4435 4.4435 5.1011 5.1011 5.2549 5.2549 5.5379 5.5379 5.6396 5.6396 5.7817 5.7817 5.8701 5.8701 6.2641 6.2641 6.3212 6.3212 7.7834 7.7834 7.9077 7.9077 8.5928 8.5928 8.7036 8.7036 9.9050 9.9050 9.9173 9.9173 k = 0.4250 0.5000-0.0000 ( 7434 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3897 -7.3897 -7.3884 -7.3884 -5.9383 -5.9383 -5.9328 -5.9328 -5.2781 -5.2781 -5.2740 -5.2740 -4.8836 -4.8836 -4.8747 -4.8747 -3.8586 -3.8586 -3.8551 -3.8551 -1.9687 -1.9687 -1.9674 -1.9674 2.5499 2.5499 2.5562 2.5562 4.0249 4.0249 4.1682 4.1682 4.2495 4.2495 4.4189 4.4189 5.1372 5.1372 5.2670 5.2670 5.5490 5.5490 5.6352 5.6352 5.7435 5.7435 5.8186 5.8186 6.2710 6.2710 6.3131 6.3131 7.7947 7.7947 7.8907 7.8907 8.5999 8.5999 8.6856 8.6856 9.9301 9.9301 9.9399 9.9399 k = 0.4500 0.5000-0.0000 ( 7438 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3899 -7.3899 -7.3890 -7.3890 -5.9394 -5.9394 -5.9357 -5.9357 -5.2756 -5.2756 -5.2729 -5.2729 -4.8751 -4.8751 -4.8691 -4.8691 -3.8675 -3.8675 -3.8651 -3.8651 -1.9642 -1.9642 -1.9633 -1.9633 2.5400 2.5400 2.5442 2.5442 4.0640 4.0640 4.1785 4.1785 4.2580 4.2580 4.3906 4.3906 5.1724 5.1724 5.2672 5.2672 5.5661 5.5661 5.6344 5.6344 5.7124 5.7124 5.7720 5.7720 6.2778 6.2778 6.3056 6.3056 7.8084 7.8084 7.8738 7.8738 8.6088 8.6088 8.6673 8.6673 9.9491 9.9491 9.9559 9.9559 k = 0.4750 0.5000-0.0000 ( 7440 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3899 -7.3899 -7.3894 -7.3894 -5.9397 -5.9397 -5.9378 -5.9378 -5.2739 -5.2739 -5.2725 -5.2725 -4.8693 -4.8693 -4.8662 -4.8662 -3.8728 -3.8728 -3.8716 -3.8716 -1.9614 -1.9614 -1.9609 -1.9609 2.5345 2.5345 2.5365 2.5365 4.1003 4.1003 4.1611 4.1611 4.2888 4.2888 4.3588 4.3588 5.2053 5.2053 5.2555 5.2555 5.5885 5.5885 5.6300 5.6300 5.6964 5.6964 5.7329 5.7329 6.2846 6.2846 6.2984 6.2984 7.8238 7.8238 7.8569 7.8569 8.6201 8.6201 8.6498 8.6498 9.9614 9.9614 9.9649 9.9649 k = 0.5000 0.5000-0.0000 ( 7440 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3897 -7.3897 -7.3897 -7.3897 -5.9391 -5.9391 -5.9391 -5.9391 -5.2728 -5.2728 -5.2728 -5.2728 -4.8663 -4.8663 -4.8663 -4.8663 -3.8742 -3.8742 -3.8742 -3.8742 -1.9603 -1.9603 -1.9603 -1.9603 2.5333 2.5333 2.5333 2.5333 4.1331 4.1331 4.1331 4.1331 4.3244 4.3244 4.3244 4.3244 5.2339 5.2339 5.2339 5.2339 5.6125 5.6125 5.6125 5.6125 5.7052 5.7052 5.7052 5.7052 6.2915 6.2915 6.2915 6.2915 7.8401 7.8401 7.8401 7.8401 8.6339 8.6339 8.6339 8.6339 9.9667 9.9667 9.9667 9.9667 k = 0.5000 0.5000-0.0000 ( 7440 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3897 -7.3897 -7.3897 -7.3897 -5.9391 -5.9391 -5.9391 -5.9391 -5.2728 -5.2728 -5.2728 -5.2728 -4.8663 -4.8663 -4.8663 -4.8663 -3.8742 -3.8742 -3.8742 -3.8742 -1.9603 -1.9603 -1.9603 -1.9603 2.5333 2.5333 2.5333 2.5333 4.1331 4.1331 4.1331 4.1331 4.3244 4.3244 4.3244 4.3244 5.2339 5.2339 5.2339 5.2339 5.6125 5.6125 5.6125 5.6125 5.7052 5.7052 5.7052 5.7052 6.2915 6.2915 6.2915 6.2915 7.8401 7.8401 7.8401 7.8401 8.6339 8.6339 8.6339 8.6339 9.9667 9.9667 9.9667 9.9667 k = 0.4828 0.4828-0.0000 ( 7440 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3899 -7.3897 -7.3897 -7.3893 -5.9397 -5.9397 -5.9380 -5.9376 -5.2743 -5.2730 -5.2730 -5.2723 -4.8698 -4.8687 -4.8668 -4.8654 -3.8735 -3.8722 -3.8721 -3.8713 -1.9617 -1.9615 -1.9608 -1.9606 2.5327 2.5341 2.5365 2.5383 4.0880 4.1311 4.1321 4.1716 4.2774 4.3150 4.3315 4.3717 5.1935 5.2266 5.2415 5.2607 5.5837 5.5990 5.6209 5.6351 5.6844 5.7097 5.7262 5.7354 6.2819 6.2890 6.2952 6.2999 7.8183 7.8342 7.8466 7.8623 8.6142 8.6350 8.6354 8.6551 9.9606 9.9629 9.9637 9.9662 k = 0.4655 0.4655-0.0000 ( 7442 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3901 -7.3897 -7.3894 -7.3885 -5.9397 -5.9394 -5.9363 -5.9351 -5.2769 -5.2741 -5.2734 -5.2722 -4.8775 -4.8735 -4.8704 -4.8660 -3.8702 -3.8675 -3.8653 -3.8638 -1.9656 -1.9651 -1.9621 -1.9617 2.5326 2.5354 2.5475 2.5512 4.0385 4.1233 4.1274 4.1900 4.2491 4.3038 4.3363 4.4158 5.1443 5.2184 5.2500 5.2691 5.5636 5.5872 5.6216 5.6361 5.6869 5.7275 5.7712 5.7715 6.2712 6.2880 6.3002 6.3073 7.7976 7.8288 7.8536 7.8841 8.5968 8.6384 8.6396 8.6770 9.9461 9.9506 9.9557 9.9605 k = 0.4483 0.4483-0.0000 ( 7432 PWs) bands (ev): -20.6963 -20.6963 -20.6962 -20.6962 -7.3902 -7.3898 -7.3887 -7.3875 -5.9393 -5.9382 -5.9338 -5.9315 -5.2806 -5.2764 -5.2740 -5.2723 -4.8892 -4.8824 -4.8753 -4.8679 -3.8642 -3.8603 -3.8541 -3.8519 -1.9718 -1.9711 -1.9641 -1.9635 2.5329 2.5371 2.5664 2.5720 3.9851 4.0944 4.1225 4.1752 4.2630 4.2932 4.3387 4.4554 5.0898 5.2060 5.2601 5.2601 5.5550 5.5836 5.6116 5.6320 5.7082 5.7514 5.8117 5.8280 6.2593 6.2885 6.3064 6.3139 7.7790 7.8237 7.8613 7.9051 8.5818 8.6439 8.6465 8.6988 9.9234 9.9301 9.9435 9.9505 k = 0.4310 0.4310-0.0000 ( 7424 PWs) bands (ev): -20.6963 -20.6963 -20.6962 -20.6962 -7.3903 -7.3898 -7.3878 -7.3861 -5.9384 -5.9365 -5.9305 -5.9269 -5.2853 -5.2799 -5.2747 -5.2725 -4.9044 -4.8951 -4.8813 -4.8711 -3.8558 -3.8506 -3.8387 -3.8360 -1.9803 -1.9793 -1.9669 -1.9661 2.5335 2.5392 2.5929 2.6004 3.9283 4.0418 4.1165 4.1638 4.2666 4.3033 4.3386 4.4901 5.0325 5.1835 5.2447 5.2721 5.5498 5.5940 5.5945 5.6376 5.7347 5.7787 5.8556 5.8888 6.2464 6.2906 6.3136 6.3198 7.7634 7.8191 7.8697 7.9252 8.5696 8.6509 8.6557 8.7196 9.8933 9.9018 9.9276 9.9366 k = 0.4138 0.4138-0.0000 ( 7426 PWs) bands (ev): -20.6963 -20.6963 -20.6962 -20.6962 -7.3905 -7.3899 -7.3865 -7.3844 -5.9370 -5.9342 -5.9261 -5.9213 -5.2910 -5.2845 -5.2755 -5.2728 -4.9227 -4.9111 -4.8885 -4.8756 -3.8450 -3.8387 -3.8198 -3.8166 -1.9908 -1.9895 -1.9703 -1.9692 2.5346 2.5417 2.6267 2.6361 3.8684 3.9773 4.1094 4.1560 4.2523 4.3301 4.3359 4.5198 4.9745 5.1480 5.2331 5.2862 5.5457 5.5759 5.6167 5.6494 5.7630 5.8081 5.9014 5.9508 6.2327 6.2946 6.3219 6.3255 7.7517 7.8147 7.8788 7.9445 8.5596 8.6585 8.6670 8.7388 9.8564 9.8666 9.9088 9.9196 k = 0.3966 0.3966-0.0000 ( 7416 PWs) bands (ev): -20.6964 -20.6964 -20.6961 -20.6961 -7.3908 -7.3900 -7.3849 -7.3825 -5.9351 -5.9315 -5.9208 -5.9146 -5.2975 -5.2902 -5.2765 -5.2732 -4.9437 -4.9297 -4.8968 -4.8813 -3.8321 -3.8247 -3.7979 -3.7944 -2.0030 -2.0015 -1.9742 -1.9730 2.5361 2.5446 2.6675 2.6789 3.8058 3.9074 4.1010 4.1461 4.2367 4.3306 4.3574 4.5447 4.9173 5.1050 5.2252 5.3026 5.5441 5.5585 5.6443 5.6666 5.7919 5.8389 5.9473 6.0122 6.2183 6.3008 6.3312 6.3313 7.7447 7.8107 7.8890 7.9636 8.5515 8.6657 8.6800 8.7559 9.8139 9.8255 9.8878 9.9002 k = 0.3793 0.3793-0.0000 ( 7410 PWs) bands (ev): -20.6964 -20.6964 -20.6961 -20.6961 -7.3910 -7.3902 -7.3831 -7.3803 -5.9328 -5.9284 -5.9143 -5.9068 -5.3047 -5.2968 -5.2776 -5.2738 -4.9668 -4.9506 -4.9063 -4.8883 -3.8173 -3.8089 -3.7735 -3.7698 -2.0168 -2.0150 -1.9785 -1.9771 2.5380 2.5478 2.7148 2.7283 3.7410 3.8344 4.0907 4.1303 4.2235 4.3226 4.3834 4.5649 4.8625 5.0599 5.2186 5.3213 5.5421 5.5458 5.6741 5.6886 5.8207 5.8708 5.9915 6.0717 6.2038 6.3095 6.3375 6.3423 7.7426 7.8070 7.9003 7.9829 8.5445 8.6711 8.6943 8.7710 9.7665 9.7793 9.8653 9.8792 k = 0.3621 0.3621-0.0000 ( 7411 PWs) bands (ev): -20.6965 -20.6965 -20.6961 -20.6961 -7.3913 -7.3904 -7.3810 -7.3778 -5.9300 -5.9249 -5.9067 -5.8981 -5.3124 -5.3041 -5.2788 -5.2746 -4.9915 -4.9731 -4.9169 -4.8965 -3.8009 -3.7916 -3.7473 -3.7435 -2.0317 -2.0296 -1.9832 -1.9816 2.5404 2.5515 2.7682 2.7837 3.6746 3.7595 4.0780 4.1068 4.2143 4.3120 4.4079 4.5808 4.8115 5.0155 5.2124 5.3424 5.5267 5.5509 5.7046 5.7146 5.8488 5.9035 6.0322 6.1273 6.1899 6.3208 6.3454 6.3553 7.7456 7.8034 7.9132 8.0031 8.5376 8.6730 8.7094 8.7844 9.7151 9.7289 9.8421 9.8572 k = 0.3448 0.3448-0.0000 ( 7401 PWs) bands (ev): -20.6965 -20.6965 -20.6960 -20.6960 -7.3916 -7.3906 -7.3786 -7.3752 -5.9268 -5.9210 -5.8981 -5.8885 -5.3206 -5.3122 -5.2802 -5.2755 -5.0174 -4.9968 -4.9287 -4.9058 -3.7831 -3.7730 -3.7197 -3.7160 -2.0475 -2.0452 -1.9879 -1.9862 2.5431 2.5555 2.8272 2.8446 3.6071 3.6835 4.0622 4.0760 4.2087 4.2994 4.4312 4.5925 4.7655 4.9733 5.2059 5.3657 5.5121 5.5593 5.7348 5.7439 5.8760 5.9366 6.0681 6.1661 6.1885 6.3328 6.3576 6.3717 7.7532 7.7998 7.9282 8.0249 8.5301 8.6699 8.7249 8.7968 9.6605 9.6751 9.8188 9.8351 k = 0.3276 0.3276-0.0000 ( 7393 PWs) bands (ev): -20.6966 -20.6966 -20.6959 -20.6959 -7.3920 -7.3909 -7.3760 -7.3724 -5.9231 -5.9168 -5.8884 -5.8779 -5.3290 -5.3208 -5.2818 -5.2765 -5.0441 -5.0211 -4.9417 -4.9163 -3.7642 -3.7534 -3.6914 -3.6878 -2.0639 -2.0613 -1.9927 -1.9908 2.5464 2.5599 2.8910 2.9103 3.5393 3.6073 4.0394 4.0422 4.2054 4.2856 4.4535 4.6003 4.7254 4.9341 5.1990 5.3909 5.4984 5.5708 5.7640 5.7754 5.9020 5.9695 6.0989 6.1585 6.2279 6.3428 6.3774 6.3929 7.7645 7.7961 7.9461 8.0487 8.5212 8.6602 8.7405 8.8087 9.6034 9.6186 9.7959 9.8134 k = 0.3103 0.3103-0.0000 ( 7399 PWs) bands (ev): -20.6966 -20.6966 -20.6959 -20.6959 -7.3924 -7.3912 -7.3733 -7.3694 -5.9189 -5.9122 -5.8777 -5.8664 -5.3376 -5.3299 -5.2835 -5.2778 -5.0711 -5.0458 -4.9557 -4.9280 -3.7445 -3.7332 -3.6627 -3.6593 -2.0805 -2.0778 -1.9972 -1.9952 2.5500 2.5647 2.9591 2.9797 3.4720 3.5313 3.9984 4.0173 4.2034 4.2717 4.4749 4.6037 4.6922 4.8982 5.1915 5.4177 5.4855 5.5850 5.7919 5.8076 5.9269 6.0012 6.1254 6.1477 6.2642 6.3507 6.4044 6.4205 7.7780 7.7919 7.9680 8.0744 8.5108 8.6434 8.7558 8.8205 9.5444 9.5600 9.7741 9.7926 k = 0.2931 0.2931-0.0000 ( 7403 PWs) bands (ev): -20.6967 -20.6967 -20.6958 -20.6958 -7.3928 -7.3916 -7.3704 -7.3663 -5.9142 -5.9072 -5.8661 -5.8542 -5.3462 -5.3393 -5.2855 -5.2794 -5.0982 -5.0703 -4.9707 -4.9407 -3.7244 -3.7127 -3.6341 -3.6310 -2.0972 -2.0942 -2.0014 -1.9992 2.5541 2.5699 3.0306 3.0511 3.4069 3.4564 3.9541 3.9868 4.2020 4.2591 4.4958 4.6019 4.6670 4.8658 5.1836 5.4457 5.4733 5.6013 5.8181 5.8390 5.9508 6.0301 6.1394 6.1503 6.2928 6.3579 6.4363 6.4542 7.7870 7.7920 7.9947 8.1017 8.4990 8.6195 8.7706 8.8320 9.4841 9.5001 9.7536 9.7731 k = 0.2759 0.2759-0.0000 ( 7395 PWs) bands (ev): -20.6968 -20.6968 -20.6958 -20.6958 -7.3932 -7.3920 -7.3673 -7.3632 -5.9091 -5.9019 -5.8536 -5.8412 -5.3548 -5.3488 -5.2877 -5.2813 -5.1250 -5.0943 -4.9868 -4.9544 -3.7041 -3.6921 -3.6060 -3.6032 -2.1137 -2.1106 -2.0051 -2.0028 2.5586 2.5754 3.1040 3.1200 3.3484 3.3837 3.9073 3.9511 4.2009 4.2485 4.5161 4.5938 4.6505 4.8366 5.1751 5.4600 5.4764 5.6195 5.8428 5.8677 5.9733 6.0542 6.1361 6.1766 6.3154 6.3649 6.4709 6.4922 7.7813 7.8047 8.0269 8.1293 8.4867 8.5891 8.7848 8.8433 9.4231 9.4392 9.7348 9.7552 k = 0.2586 0.2586-0.0000 ( 7397 PWs) bands (ev): -20.6968 -20.6968 -20.6957 -20.6957 -7.3937 -7.3924 -7.3642 -7.3601 -5.9035 -5.8962 -5.8403 -5.8275 -5.3631 -5.3583 -5.2901 -5.2837 -5.1511 -5.1175 -5.0039 -4.9690 -3.6838 -3.6717 -3.5786 -3.5761 -2.1297 -2.1265 -2.0081 -2.0057 2.5636 2.5813 3.1679 3.1753 3.3145 3.3173 3.8590 3.9108 4.1999 4.2407 4.5362 4.5805 4.6412 4.8105 5.1661 5.4487 5.5058 5.6388 5.8657 5.8923 5.9933 6.0723 6.1402 6.2064 6.3345 6.3724 6.5066 6.5317 7.7744 7.8151 8.0640 8.1551 8.4759 8.5536 8.7984 8.8541 9.3620 9.3780 9.7177 9.7390 k = 0.2414 0.2414-0.0000 ( 7409 PWs) bands (ev): -20.6969 -20.6969 -20.6957 -20.6957 -7.3942 -7.3929 -7.3611 -7.3569 -5.8975 -5.8902 -5.8264 -5.8134 -5.3712 -5.3677 -5.2930 -5.2866 -5.1763 -5.1393 -5.0218 -4.9846 -3.6640 -3.6519 -3.5522 -3.5500 -2.1452 -2.1419 -2.0102 -2.0079 2.5690 2.5874 3.1558 3.2066 3.2944 3.3439 3.8100 3.8671 4.1990 4.2358 4.5562 4.5649 4.6356 4.7871 5.1565 5.4369 5.5362 5.6587 5.8871 5.9119 6.0089 6.0848 6.1543 6.2396 6.3523 6.3810 6.5419 6.5708 7.7663 7.8227 8.1042 8.1758 8.4696 8.5152 8.8113 8.8645 9.3016 9.3168 9.7025 9.7244 k = 0.2241 0.2241-0.0000 ( 7411 PWs) bands (ev): -20.6970 -20.6970 -20.6956 -20.6956 -7.3946 -7.3934 -7.3579 -7.3538 -5.8911 -5.8839 -5.8118 -5.7989 -5.3789 -5.3769 -5.2963 -5.2902 -5.2002 -5.1596 -5.0406 -5.0009 -3.6448 -3.6329 -3.5270 -3.5251 -2.1600 -2.1566 -2.0115 -2.0091 2.5748 2.5938 3.1073 3.1565 3.3563 3.4124 3.7611 3.8217 4.1980 4.2339 4.5489 4.5761 4.6314 4.7663 5.1464 5.4246 5.5665 5.6788 5.9069 5.9262 6.0203 6.0938 6.1779 6.2738 6.3703 6.3919 6.5761 6.6081 7.7566 7.8271 8.1439 8.1873 8.4714 8.4777 8.8237 8.8746 9.2426 9.2563 9.6890 9.7113 k = 0.2069 0.2069-0.0000 ( 7411 PWs) bands (ev): -20.6970 -20.6970 -20.6955 -20.6955 -7.3951 -7.3939 -7.3548 -7.3508 -5.8842 -5.8773 -5.7969 -5.7843 -5.3861 -5.3856 -5.3002 -5.2946 -5.2225 -5.1779 -5.0601 -5.0179 -3.6265 -3.6149 -3.5032 -3.5016 -2.1739 -2.1706 -2.0118 -2.0094 2.5809 2.6003 3.0520 3.0946 3.4326 3.4892 3.7132 3.7765 4.1971 4.2350 4.5328 4.5960 4.6277 4.7478 5.1357 5.4116 5.5964 5.6985 5.9250 5.9353 6.0301 6.1010 6.2077 6.3053 6.3900 6.4073 6.6086 6.6428 7.7454 7.8284 8.1762 8.1872 8.4479 8.4838 8.8357 8.8847 9.1863 9.1970 9.6770 9.6995 k = 0.1897 0.1897-0.0000 ( 7407 PWs) bands (ev): -20.6971 -20.6971 -20.6955 -20.6955 -7.3956 -7.3944 -7.3517 -7.3479 -5.8771 -5.8704 -5.7818 -5.7697 -5.3937 -5.3928 -5.3050 -5.3002 -5.2426 -5.1940 -5.0801 -5.0355 -3.6093 -3.5981 -3.4809 -3.4796 -2.1869 -2.1837 -2.0111 -2.0089 2.5873 2.6069 2.9968 3.0341 3.5090 3.5635 3.6678 3.7354 4.1963 4.2394 4.5166 4.6159 4.6242 4.7315 5.1244 5.3976 5.6257 5.7174 5.9397 5.9410 6.0414 6.1082 6.2393 6.3301 6.4125 6.4298 6.6390 6.6744 7.7325 7.8264 8.1760 8.1901 8.4367 8.5055 8.8472 8.8949 9.1339 9.1395 9.6663 9.6887 k = 0.1724 0.1724-0.0000 ( 7413 PWs) bands (ev): -20.6971 -20.6971 -20.6954 -20.6954 -7.3961 -7.3949 -7.3488 -7.3451 -5.8696 -5.8634 -5.7668 -5.7555 -5.4008 -5.3987 -5.3109 -5.3068 -5.2603 -5.2078 -5.1004 -5.0534 -3.5933 -3.5828 -3.4602 -3.4591 -2.1990 -2.1960 -2.0095 -2.0074 2.5939 2.6134 2.9441 2.9768 3.5748 3.6155 3.6337 3.7164 4.1956 4.2475 4.5000 4.6211 4.6351 4.7175 5.1125 5.3822 5.6540 5.7352 5.9402 5.9543 6.0556 6.1168 6.2686 6.3467 6.4390 6.4593 6.6674 6.7026 7.7178 7.8206 8.1570 8.1790 8.4512 8.5330 8.8575 8.9054 9.0848 9.0876 9.6566 9.6786 k = 0.1552 0.1552-0.0000 ( 7411 PWs) bands (ev): -20.6972 -20.6972 -20.6954 -20.6954 -7.3966 -7.3955 -7.3460 -7.3425 -5.8620 -5.8562 -5.7522 -5.7419 -5.4068 -5.4036 -5.3181 -5.3144 -5.2750 -5.2193 -5.1208 -5.0715 -3.5788 -3.5689 -3.4411 -3.4403 -2.2100 -2.2072 -2.0071 -2.0051 2.6006 2.6195 2.8949 2.9236 3.5677 3.6070 3.6725 3.7558 4.1953 4.2601 4.4829 4.6184 4.6525 4.7068 5.1003 5.3652 5.6811 5.7515 5.9379 5.9643 6.0732 6.1280 6.2934 6.3571 6.4698 6.4928 6.6939 6.7275 7.7013 7.8105 8.1337 8.1500 8.4846 8.5619 8.8653 8.9156 9.0346 9.0504 9.6477 9.6689 k = 0.1379 0.1379-0.0000 ( 7401 PWs) bands (ev): -20.6972 -20.6972 -20.6953 -20.6953 -7.3970 -7.3960 -7.3433 -7.3401 -5.8543 -5.8490 -5.7383 -5.7294 -5.4113 -5.4074 -5.3264 -5.3226 -5.2870 -5.2292 -5.1406 -5.0896 -3.5657 -3.5567 -3.4239 -3.4232 -2.2201 -2.2175 -2.0041 -2.0023 2.6071 2.6251 2.8500 2.8752 3.5313 3.5724 3.7400 3.8178 4.1955 4.2784 4.4650 4.6162 4.6637 4.7028 5.0882 5.3464 5.7070 5.7665 5.9339 5.9706 6.0936 6.1421 6.3127 6.3634 6.5038 6.5264 6.7189 6.7491 7.6833 7.7952 8.1090 8.1146 8.5258 8.5884 8.8682 8.9215 8.9943 9.0263 9.6393 9.6594 k = 0.1207 0.1207-0.0000 ( 7411 PWs) bands (ev): -20.6973 -20.6973 -20.6953 -20.6953 -7.3974 -7.3965 -7.3409 -7.3380 -5.8466 -5.8420 -5.7256 -5.7181 -5.4139 -5.4097 -5.3351 -5.3311 -5.2970 -5.2383 -5.1592 -5.1073 -3.5542 -3.5461 -3.4084 -3.4079 -2.2290 -2.2266 -2.0007 -1.9990 2.6131 2.6298 2.8101 2.8322 3.4959 3.5351 3.8052 3.8772 4.1966 4.3035 4.4462 4.6146 4.6639 4.7093 5.0769 5.3256 5.7315 5.7800 5.9291 5.9731 6.1163 6.1589 6.3268 6.3669 6.5389 6.5576 6.7430 6.7681 7.6641 7.7740 8.0807 8.0849 8.5672 8.6095 8.8650 8.9099 8.9785 9.0179 9.6313 9.6498 k = 0.1034 0.1034-0.0000 ( 7411 PWs) bands (ev): -20.6973 -20.6973 -20.6952 -20.6952 -7.3978 -7.3969 -7.3387 -7.3361 -5.8391 -5.8351 -5.7144 -5.7085 -5.4144 -5.4101 -5.3431 -5.3395 -5.3060 -5.2480 -5.1754 -5.1243 -3.5442 -3.5372 -3.3949 -3.3945 -2.2368 -2.2347 -1.9970 -1.9956 2.6181 2.6329 2.7759 2.7953 3.4639 3.4997 3.8651 3.9280 4.1992 4.3362 4.4267 4.6137 4.6577 4.7199 5.0677 5.3027 5.7545 5.7921 5.9240 5.9721 6.1406 6.1776 6.3366 6.3683 6.5724 6.5846 6.7665 6.7852 7.6444 7.7470 8.0520 8.0629 8.6035 8.6231 8.8586 8.8826 8.9871 9.0227 9.6234 9.6400 k = 0.0862 0.0862-0.0000 ( 7421 PWs) bands (ev): -20.6974 -20.6974 -20.6952 -20.6952 -7.3981 -7.3974 -7.3367 -7.3345 -5.8320 -5.8287 -5.7051 -5.7007 -5.4125 -5.4084 -5.3498 -5.3472 -5.3147 -5.2596 -5.1880 -5.1402 -3.5358 -3.5298 -3.3833 -3.3830 -2.2434 -2.2417 -1.9934 -1.9921 2.6215 2.6340 2.7483 2.7652 3.4363 3.4677 3.9179 3.9685 4.2040 4.3748 4.4080 4.6135 4.6502 4.7272 5.0625 5.2779 5.7757 5.8028 5.9192 5.9682 6.1654 6.1971 6.3428 6.3676 6.6020 6.6068 6.7894 6.8011 7.6252 7.7157 8.0302 8.0437 8.6290 8.6306 8.8535 8.8577 9.0040 9.0353 9.6153 9.6285 k = 0.0690 0.0690-0.0000 ( 7423 PWs) bands (ev): -20.6974 -20.6974 -20.6952 -20.6952 -7.3983 -7.3977 -7.3350 -7.3333 -5.8256 -5.8230 -5.6978 -5.6948 -5.4083 -5.4044 -5.3545 -5.3542 -5.3237 -5.2737 -5.1961 -5.1548 -3.5288 -3.5240 -3.3737 -3.3734 -2.2489 -2.2475 -1.9900 -1.9890 2.6227 2.6325 2.7280 2.7424 3.4136 3.4397 3.9622 3.9988 4.2119 4.3802 4.4275 4.6142 4.6427 4.7272 5.0634 5.2511 5.7949 5.8123 5.9153 5.9618 6.1898 6.2161 6.3461 6.3650 6.6241 6.6255 6.8108 6.8165 7.6079 7.6827 8.0147 8.0278 8.6291 8.6452 8.8426 8.8516 9.0235 9.0505 9.6026 9.6044 k = 0.0517 0.0517-0.0000 ( 7421 PWs) bands (ev): -20.6974 -20.6974 -20.6951 -20.6951 -7.3985 -7.3980 -7.3337 -7.3323 -5.8201 -5.8181 -5.6925 -5.6907 -5.4020 -5.3985 -5.3602 -5.3571 -5.3330 -5.2898 -5.2002 -5.1677 -3.5234 -3.5197 -3.3661 -3.3659 -2.2531 -2.2520 -1.9870 -1.9863 2.6216 2.6286 2.7151 2.7266 3.3963 3.4165 3.9968 4.0201 4.2241 4.3583 4.4766 4.6158 4.6356 4.7175 5.0717 5.2229 5.8111 5.8204 5.9130 5.9536 6.2126 6.2331 6.3471 6.3607 6.6371 6.6422 6.8295 6.8310 7.5939 7.6509 8.0045 8.0153 8.6264 8.6475 8.8382 8.8519 9.0428 9.0647 9.5784 9.5796 k = 0.0345 0.0345-0.0000 ( 7429 PWs) bands (ev): -20.6974 -20.6974 -20.6951 -20.6951 -7.3986 -7.3983 -7.3326 -7.3317 -5.8158 -5.8145 -5.6891 -5.6881 -5.3941 -5.3917 -5.3649 -5.3573 -5.3418 -5.3066 -5.2008 -5.1787 -3.5193 -3.5169 -3.3607 -3.3606 -2.2561 -2.2554 -1.9848 -1.9843 2.6192 2.6237 2.7085 2.7166 3.3846 3.3984 4.0211 4.0339 4.2409 4.3345 4.5270 4.6186 4.6289 4.6974 5.0874 5.1936 5.8234 5.8269 5.9135 5.9440 6.2323 6.2465 6.3466 6.3554 6.6466 6.6522 6.8436 6.8441 7.5851 7.6233 7.9985 8.0060 8.6240 8.6420 8.8408 8.8527 9.0598 9.0754 9.5592 9.5603 k = 0.0172 0.0172-0.0000 ( 7425 PWs) bands (ev): -20.6975 -20.6975 -20.6951 -20.6951 -7.3986 -7.3985 -7.3319 -7.3314 -5.8129 -5.8123 -5.6871 -5.6867 -5.3864 -5.3858 -5.3675 -5.3590 -5.3447 -5.3227 -5.1987 -5.1875 -3.5167 -3.5155 -3.3574 -3.3573 -2.2578 -2.2575 -1.9833 -1.9831 2.6172 2.6194 2.7065 2.7106 3.3790 3.3860 4.0357 4.0411 4.2617 4.3098 4.5742 4.6218 4.6238 4.6685 5.1094 5.1641 5.8308 5.8315 5.9174 5.9340 6.2471 6.2544 6.3461 6.3503 6.6530 6.6565 6.8524 6.8531 7.5828 7.6019 7.9960 7.9998 8.6241 8.6341 8.8458 8.8524 9.0726 9.0808 9.5476 9.5482 k = 0.0000 0.0000 0.0000 ( 7441 PWs) bands (ev): -20.6975 -20.6975 -20.6951 -20.6951 -7.3986 -7.3986 -7.3315 -7.3315 -5.8118 -5.8118 -5.6864 -5.6864 -5.3830 -5.3830 -5.3652 -5.3652 -5.3364 -5.3364 -5.1942 -5.1942 -3.5154 -3.5154 -3.3563 -3.3563 -2.2583 -2.2583 -1.9827 -1.9827 2.6170 2.6170 2.7074 2.7074 3.3795 3.3795 4.0419 4.0419 4.2852 4.2852 4.6088 4.6088 4.6381 4.6381 5.1355 5.1355 5.8332 5.8332 5.9246 5.9246 6.2549 6.2549 6.3470 6.3470 6.6565 6.6565 6.8559 6.8559 7.5883 7.5883 7.9965 7.9965 8.6275 8.6275 8.8501 8.8501 9.0798 9.0798 9.5439 9.5439 k = 0.0000 0.0000 0.0000 ( 7441 PWs) bands (ev): -20.6975 -20.6975 -20.6951 -20.6951 -7.3986 -7.3986 -7.3315 -7.3315 -5.8118 -5.8118 -5.6864 -5.6864 -5.3830 -5.3830 -5.3652 -5.3652 -5.3364 -5.3364 -5.1942 -5.1942 -3.5154 -3.5154 -3.3563 -3.3563 -2.2583 -2.2583 -1.9827 -1.9827 2.6170 2.6170 2.7074 2.7074 3.3795 3.3795 4.0419 4.0419 4.2852 4.2852 4.6088 4.6088 4.6381 4.6381 5.1355 5.1355 5.8332 5.8332 5.9246 5.9246 6.2549 6.2549 6.3470 6.3470 6.6565 6.6565 6.8559 6.8559 7.5883 7.5883 7.9965 7.9965 8.6275 8.6275 8.8501 8.8501 9.0798 9.0798 9.5439 9.5439 k = 0.0000 0.0000 0.0248 ( 7421 PWs) bands (ev): -20.6974 -20.6974 -20.6951 -20.6951 -7.3986 -7.3986 -7.3316 -7.3316 -5.8115 -5.8115 -5.6859 -5.6859 -5.3829 -5.3829 -5.3649 -5.3649 -5.3365 -5.3365 -5.1939 -5.1939 -3.5155 -3.5155 -3.3566 -3.3566 -2.2585 -2.2585 -1.9834 -1.9834 2.6170 2.6170 2.7072 2.7072 3.3813 3.3813 4.0369 4.0369 4.2723 4.2723 4.5919 4.5919 4.6474 4.6474 5.1505 5.1505 5.8340 5.8340 5.9236 5.9236 6.2556 6.2556 6.3470 6.3470 6.6555 6.6555 6.8552 6.8552 7.5875 7.5875 7.9948 7.9948 8.6297 8.6297 8.8500 8.8500 9.0797 9.0797 9.5449 9.5449 k = 0.0000 0.0000 0.0496 ( 7413 PWs) bands (ev): -20.6973 -20.6973 -20.6950 -20.6950 -7.3985 -7.3985 -7.3321 -7.3321 -5.8108 -5.8108 -5.6844 -5.6844 -5.3825 -5.3825 -5.3640 -5.3640 -5.3370 -5.3370 -5.1929 -5.1929 -3.5157 -3.5157 -3.3575 -3.3575 -2.2593 -2.2593 -1.9856 -1.9856 2.6167 2.6167 2.7066 2.7066 3.3868 3.3868 4.0210 4.0210 4.2367 4.2367 4.5633 4.5633 4.6539 4.6539 5.1922 5.1922 5.8362 5.8362 5.9204 5.9204 6.2576 6.2576 6.3470 6.3470 6.6525 6.6525 6.8529 6.8529 7.5854 7.5854 7.9901 7.9901 8.6364 8.6364 8.8497 8.8497 9.0794 9.0794 9.5478 9.5478 k = 0.0000 0.0000 0.0744 ( 7417 PWs) bands (ev): -20.6972 -20.6972 -20.6948 -20.6948 -7.3984 -7.3984 -7.3328 -7.3328 -5.8095 -5.8095 -5.6819 -5.6819 -5.3818 -5.3818 -5.3626 -5.3626 -5.3375 -5.3375 -5.1913 -5.1913 -3.5162 -3.5162 -3.3590 -3.3590 -2.2605 -2.2605 -1.9892 -1.9892 2.6162 2.6162 2.7055 2.7055 3.3959 3.3959 3.9924 3.9924 4.1867 4.1867 4.5328 4.5328 4.6497 4.6497 5.2536 5.2536 5.8395 5.8395 5.9154 5.9154 6.2607 6.2607 6.3465 6.3465 6.6475 6.6475 6.8490 6.8490 7.5823 7.5823 7.9829 7.9829 8.6477 8.6477 8.8496 8.8496 9.0790 9.0790 9.5526 9.5526 k = 0.0000 0.0000 0.0993 ( 7425 PWs) bands (ev): -20.6969 -20.6969 -20.6946 -20.6946 -7.3983 -7.3983 -7.3339 -7.3339 -5.8079 -5.8079 -5.6784 -5.6784 -5.3809 -5.3809 -5.3612 -5.3612 -5.3377 -5.3377 -5.1889 -5.1889 -3.5168 -3.5168 -3.3611 -3.3611 -2.2622 -2.2622 -1.9943 -1.9943 2.6154 2.6154 2.7040 2.7040 3.4084 3.4084 3.9478 3.9478 4.1328 4.1328 4.5010 4.5010 4.6355 4.6355 5.3265 5.3265 5.8430 5.8430 5.9089 5.9089 6.2645 6.2645 6.3449 6.3449 6.6407 6.6407 6.8435 6.8435 7.5791 7.5791 7.9742 7.9742 8.6641 8.6641 8.8501 8.8501 9.0789 9.0789 9.5592 9.5592 k = 0.0000 0.0000 0.1241 ( 7417 PWs) bands (ev): -20.6967 -20.6967 -20.6943 -20.6943 -7.3982 -7.3982 -7.3353 -7.3353 -5.8058 -5.8058 -5.6739 -5.6739 -5.3797 -5.3797 -5.3604 -5.3604 -5.3369 -5.3369 -5.1857 -5.1857 -3.5176 -3.5176 -3.3638 -3.3638 -2.2645 -2.2645 -2.0008 -2.0008 2.6144 2.6144 2.7020 2.7020 3.4242 3.4242 3.8855 3.8855 4.0831 4.0831 4.4675 4.4675 4.6132 4.6132 5.4041 5.4041 5.8451 5.8451 5.9021 5.9021 6.2684 6.2684 6.3414 6.3414 6.6322 6.6322 6.8363 6.8363 7.5764 7.5764 7.9653 7.9653 8.6858 8.6858 8.8516 8.8516 9.0792 9.0792 9.5677 9.5677 k = 0.0000 0.0000 0.1489 ( 7401 PWs) bands (ev): -20.6963 -20.6963 -20.6940 -20.6940 -7.3981 -7.3981 -7.3369 -7.3369 -5.8035 -5.8035 -5.6685 -5.6685 -5.3782 -5.3782 -5.3608 -5.3608 -5.3345 -5.3345 -5.1816 -5.1816 -3.5185 -3.5185 -3.3671 -3.3671 -2.2674 -2.2674 -2.0088 -2.0088 2.6129 2.6129 2.6994 2.6994 3.4430 3.4430 3.8086 3.8086 4.0397 4.0397 4.4320 4.4320 4.5847 4.5847 5.4809 5.4809 5.8438 5.8438 5.8969 5.8969 6.2720 6.2720 6.3351 6.3351 6.6226 6.6226 6.8276 6.8276 7.5749 7.5749 7.9577 7.9577 8.7128 8.7128 8.8552 8.8552 9.0803 9.0803 9.5780 9.5780 k = 0.0000 0.0000 0.1737 ( 7397 PWs) bands (ev): -20.6959 -20.6959 -20.6936 -20.6936 -7.3979 -7.3979 -7.3389 -7.3389 -5.8009 -5.8009 -5.6622 -5.6622 -5.3766 -5.3766 -5.3627 -5.3627 -5.3302 -5.3302 -5.1767 -5.1767 -3.5196 -3.5196 -3.3710 -3.3710 -2.2708 -2.2708 -2.0184 -2.0184 2.6111 2.6111 2.6960 2.6960 3.4641 3.4641 3.7233 3.7233 4.0004 4.0004 4.3946 4.3946 4.5515 4.5515 5.5518 5.5518 5.8376 5.8376 5.8949 5.8949 6.2747 6.2747 6.3250 6.3250 6.6127 6.6127 6.8180 6.8180 7.5752 7.5752 7.9534 7.9534 8.7441 8.7441 8.8622 8.8622 9.0822 9.0822 9.5900 9.5900 k = 0.0000 0.0000 0.1985 ( 7401 PWs) bands (ev): -20.6955 -20.6955 -20.6932 -20.6932 -7.3978 -7.3978 -7.3411 -7.3411 -5.7982 -5.7982 -5.6550 -5.6550 -5.3747 -5.3747 -5.3658 -5.3658 -5.3243 -5.3243 -5.1707 -5.1707 -3.5208 -3.5208 -3.3754 -3.3754 -2.2748 -2.2748 -2.0295 -2.0295 2.6087 2.6087 2.6920 2.6920 3.4851 3.4851 3.6360 3.6360 3.9634 3.9634 4.3558 4.3558 4.5149 4.5149 5.6113 5.6113 5.8281 5.8281 5.8952 5.8952 6.2762 6.2762 6.3104 6.3104 6.6036 6.6036 6.8078 6.8078 7.5775 7.5775 7.9542 7.9542 8.7775 8.7775 8.8755 8.8755 9.0850 9.0850 9.6036 9.6036 k = 0.0000 0.0000 0.2233 ( 7405 PWs) bands (ev): -20.6950 -20.6950 -20.6927 -20.6927 -7.3976 -7.3976 -7.3435 -7.3435 -5.7954 -5.7954 -5.6469 -5.6469 -5.3730 -5.3730 -5.3695 -5.3695 -5.3168 -5.3168 -5.1636 -5.1636 -3.5222 -3.5222 -3.3804 -3.3804 -2.2795 -2.2795 -2.0421 -2.0421 2.6056 2.6056 2.6870 2.6870 3.4896 3.4896 3.5660 3.5660 3.9282 3.9282 4.3161 4.3161 4.4760 4.4760 5.6528 5.6528 5.8199 5.8199 5.8957 5.8957 6.2765 6.2765 6.2908 6.2908 6.5964 6.5964 6.7978 6.7978 7.5824 7.5824 7.9616 7.9616 8.8077 8.8077 8.9005 8.9005 9.0886 9.0886 9.6188 9.6188 k = 0.0000 0.0000 0.2482 ( 7413 PWs) bands (ev): -20.6944 -20.6944 -20.6921 -20.6921 -7.3975 -7.3975 -7.3462 -7.3462 -5.7926 -5.7926 -5.6380 -5.6380 -5.3754 -5.3754 -5.3697 -5.3697 -5.3081 -5.3081 -5.1555 -5.1555 -3.5237 -3.5237 -3.3860 -3.3860 -2.2849 -2.2849 -2.0562 -2.0562 2.6018 2.6018 2.6811 2.6811 3.4272 3.4272 3.5648 3.5648 3.8946 3.8946 4.2763 4.2763 4.4359 4.4359 5.6701 5.6701 5.8174 5.8174 5.8944 5.8944 6.2655 6.2655 6.2772 6.2772 6.5918 6.5918 6.7880 6.7880 7.5910 7.5910 7.9763 7.9763 8.8304 8.8304 8.9418 8.9418 9.0931 9.0931 9.6354 9.6354 k = 0.0000 0.0000 0.2730 ( 7421 PWs) bands (ev): -20.6939 -20.6939 -20.6916 -20.6916 -7.3974 -7.3974 -7.3491 -7.3491 -5.7899 -5.7899 -5.6284 -5.6284 -5.3805 -5.3805 -5.3674 -5.3674 -5.2983 -5.2983 -5.1462 -5.1462 -3.5253 -3.5253 -3.3920 -3.3920 -2.2909 -2.2909 -2.0719 -2.0719 2.5971 2.5971 2.6741 2.6741 3.3404 3.3404 3.5904 3.5904 3.8634 3.8634 4.2371 4.2371 4.3954 4.3954 5.6636 5.6636 5.8182 5.8182 5.8899 5.8899 6.2360 6.2360 6.2786 6.2786 6.5895 6.5895 6.7787 6.7787 7.6048 7.6048 7.9987 7.9987 8.8471 8.8471 8.9975 8.9975 9.0983 9.0983 9.6534 9.6534 k = 0.0000 0.0000 0.2978 ( 7405 PWs) bands (ev): -20.6932 -20.6932 -20.6910 -20.6910 -7.3973 -7.3973 -7.3523 -7.3523 -5.7875 -5.7875 -5.6181 -5.6181 -5.3862 -5.3862 -5.3647 -5.3647 -5.2873 -5.2873 -5.1358 -5.1358 -3.5270 -3.5270 -3.3986 -3.3986 -2.2977 -2.2977 -2.0890 -2.0890 2.5914 2.5914 2.6659 2.6659 3.2522 3.2522 3.6193 3.6193 3.8360 3.8360 4.1991 4.1991 4.3553 4.3553 5.6408 5.6408 5.8138 5.8138 5.8817 5.8817 6.2022 6.2022 6.2826 6.2826 6.5882 6.5882 6.7697 6.7697 7.6257 7.6257 8.0281 8.0281 8.8614 8.8614 9.0638 9.0638 9.1043 9.1043 9.6725 9.6725 k = 0.0000 0.0000 0.3226 ( 7393 PWs) bands (ev): -20.6926 -20.6926 -20.6903 -20.6903 -7.3973 -7.3973 -7.3556 -7.3556 -5.7854 -5.7854 -5.6071 -5.6071 -5.3923 -5.3923 -5.3619 -5.3619 -5.2752 -5.2752 -5.1243 -5.1243 -3.5288 -3.5288 -3.4056 -3.4056 -2.3052 -2.3052 -2.1077 -2.1077 2.5847 2.5847 2.6565 2.6565 3.1658 3.1658 3.6463 3.6463 3.8149 3.8149 4.1633 4.1633 4.3164 4.3164 5.6080 5.6080 5.7988 5.7988 5.8696 5.8696 6.1648 6.1648 6.2900 6.2900 6.5864 6.5864 6.7608 6.7608 7.6553 7.6553 8.0635 8.0635 8.8750 8.8750 9.1110 9.1110 9.1387 9.1387 9.6927 9.6927 k = 0.0000 0.0000 0.3474 ( 7389 PWs) bands (ev): -20.6919 -20.6919 -20.6896 -20.6896 -7.3973 -7.3973 -7.3591 -7.3591 -5.7836 -5.7836 -5.5956 -5.5956 -5.3985 -5.3985 -5.3590 -5.3590 -5.2620 -5.2620 -5.1117 -5.1117 -3.5307 -3.5307 -3.4131 -3.4131 -2.3134 -2.3134 -2.1277 -2.1277 2.5767 2.5767 2.6457 2.6457 3.0823 3.0823 3.6658 3.6658 3.8046 3.8046 4.1305 4.1305 4.2793 4.2793 5.5679 5.5679 5.7730 5.7730 5.8533 5.8533 6.1243 6.1243 6.3004 6.3004 6.5824 6.5824 6.7521 6.7521 7.6944 7.6944 8.1039 8.1039 8.8886 8.8886 9.1186 9.1186 9.2209 9.2209 9.7136 9.7136 k = 0.0000 0.0000 0.3722 ( 7401 PWs) bands (ev): -20.6912 -20.6912 -20.6890 -20.6890 -7.3974 -7.3974 -7.3627 -7.3627 -5.7821 -5.7821 -5.5835 -5.5835 -5.4049 -5.4049 -5.3560 -5.3560 -5.2477 -5.2477 -5.0982 -5.0982 -3.5326 -3.5326 -3.4209 -3.4209 -2.3225 -2.3225 -2.1490 -2.1490 2.5675 2.5675 2.6336 2.6336 3.0023 3.0023 3.6724 3.6724 3.8095 3.8095 4.1020 4.1020 4.2445 4.2445 5.5220 5.5220 5.7390 5.7390 5.8323 5.8323 6.0808 6.0808 6.3133 6.3133 6.5753 6.5753 6.7436 6.7436 7.7430 7.7430 8.1481 8.1481 8.9025 8.9025 9.1271 9.1271 9.3100 9.3100 9.7350 9.7350 k = 0.0000 0.0000 0.3970 ( 7396 PWs) bands (ev): -20.6905 -20.6905 -20.6882 -20.6882 -7.3975 -7.3975 -7.3665 -7.3665 -5.7811 -5.7811 -5.5710 -5.5710 -5.4114 -5.4114 -5.3528 -5.3528 -5.2323 -5.2323 -5.0839 -5.0839 -3.5346 -3.5346 -3.4291 -3.4291 -2.3323 -2.3323 -2.1716 -2.1716 2.5568 2.5568 2.6201 2.6201 2.9262 2.9262 3.6674 3.6674 3.8268 3.8268 4.0795 4.0795 4.2125 4.2125 5.4710 5.4710 5.7001 5.7001 5.8065 5.8065 6.0343 6.0343 6.3277 6.3277 6.5654 6.5654 6.7352 6.7352 7.8001 7.8001 8.1954 8.1954 8.9167 8.9167 9.1369 9.1369 9.4055 9.4055 9.7566 9.7566 k = 0.0000 0.0000 0.4219 ( 7416 PWs) bands (ev): -20.6897 -20.6897 -20.6875 -20.6875 -7.3977 -7.3977 -7.3703 -7.3703 -5.7806 -5.7806 -5.5582 -5.5582 -5.4179 -5.4179 -5.3497 -5.3497 -5.2159 -5.2159 -5.0688 -5.0688 -3.5366 -3.5366 -3.4377 -3.4377 -2.3428 -2.3428 -2.1953 -2.1953 2.5446 2.5446 2.6051 2.6051 2.8545 2.8545 3.6571 3.6571 3.8475 3.8475 4.0659 4.0659 4.1836 4.1836 5.4154 5.4154 5.6586 5.6586 5.7763 5.7763 5.9849 5.9849 6.3422 6.3422 6.5537 6.5537 6.7271 6.7271 7.8642 7.8642 8.2448 8.2448 8.9311 8.9311 9.1480 9.1480 9.5071 9.5071 9.7777 9.7777 k = 0.0000 0.0000 0.4467 ( 7416 PWs) bands (ev): -20.6890 -20.6890 -20.6868 -20.6868 -7.3980 -7.3980 -7.3742 -7.3742 -5.7804 -5.7804 -5.5451 -5.5451 -5.4243 -5.4243 -5.3464 -5.3464 -5.1985 -5.1985 -5.0532 -5.0532 -3.5386 -3.5386 -3.4465 -3.4465 -2.3541 -2.3541 -2.2199 -2.2199 2.5308 2.5308 2.5888 2.5888 2.7875 2.7875 3.6460 3.6460 3.8633 3.8633 4.0647 4.0647 4.1584 4.1584 5.3560 5.3560 5.6165 5.6165 5.7420 5.7420 5.9331 5.9331 6.3553 6.3553 6.5423 6.5423 6.7190 6.7190 7.9334 7.9334 8.2961 8.2961 8.9458 8.9458 9.1607 9.1607 9.6145 9.6145 9.7979 9.7979 k = 0.0000 0.0000 0.4715 ( 7416 PWs) bands (ev): -20.6883 -20.6883 -20.6861 -20.6861 -7.3984 -7.3984 -7.3780 -7.3780 -5.7807 -5.7807 -5.5318 -5.5318 -5.4305 -5.4305 -5.3432 -5.3432 -5.1802 -5.1802 -5.0371 -5.0371 -3.5406 -3.5406 -3.4555 -3.4555 -2.3660 -2.3660 -2.2453 -2.2453 2.5152 2.5152 2.5712 2.5712 2.7257 2.7257 3.6363 3.6363 3.8698 3.8698 4.0772 4.0772 4.1375 4.1375 5.2939 5.2939 5.5748 5.5748 5.7037 5.7037 5.8795 5.8795 6.3648 6.3648 6.5340 6.5340 6.7109 6.7109 8.0056 8.0056 8.3489 8.3489 8.9610 8.9610 9.1751 9.1751 9.7271 9.7271 9.8162 9.8162 k = 0.0000 0.0000 0.4963 ( 7404 PWs) bands (ev): -20.6875 -20.6875 -20.6854 -20.6854 -7.3989 -7.3989 -7.3819 -7.3819 -5.7813 -5.7813 -5.5184 -5.5184 -5.4367 -5.4367 -5.3400 -5.3400 -5.1611 -5.1611 -5.0207 -5.0207 -3.5427 -3.5427 -3.4646 -3.4646 -2.3786 -2.3786 -2.2712 -2.2712 2.4975 2.4975 2.5524 2.5524 2.6696 2.6696 3.6291 3.6291 3.8678 3.8678 4.0958 4.0958 4.1267 4.1267 5.2301 5.2301 5.5341 5.5341 5.6615 5.6615 5.8256 5.8256 6.3682 6.3682 6.5315 6.5315 6.7027 6.7027 8.0790 8.0790 8.4032 8.4032 8.9767 8.9767 9.1913 9.1913 9.8295 9.8295 9.8463 9.8463 k = 0.0000 0.0000 0.5211 ( 7400 PWs) bands (ev): -20.6868 -20.6868 -20.6846 -20.6846 -7.3995 -7.3995 -7.3856 -7.3856 -5.7822 -5.7822 -5.5051 -5.5051 -5.4426 -5.4426 -5.3369 -5.3369 -5.1413 -5.1413 -5.0043 -5.0043 -3.5447 -3.5447 -3.4738 -3.4738 -2.3917 -2.3917 -2.2975 -2.2975 2.4771 2.4771 2.5326 2.5326 2.6200 2.6200 3.6248 3.6248 3.8608 3.8608 4.0943 4.0943 4.1478 4.1478 5.1658 5.1658 5.4946 5.4946 5.6147 5.6147 5.7730 5.7730 6.3643 6.3643 6.5365 6.5365 6.6942 6.6942 8.1516 8.1516 8.4592 8.4592 8.9931 8.9931 9.2095 9.2095 9.8393 9.8393 9.9536 9.9536 k = 0.0000 0.0000 0.5459 ( 7404 PWs) bands (ev): -20.6861 -20.6861 -20.6839 -20.6839 -7.4003 -7.4003 -7.3891 -7.3891 -5.7833 -5.7833 -5.4919 -5.4919 -5.4482 -5.4482 -5.3338 -5.3338 -5.1209 -5.1209 -4.9879 -4.9879 -3.5467 -3.5467 -3.4830 -3.4830 -2.4053 -2.4053 -2.3238 -2.3238 2.4535 2.4535 2.5123 2.5123 2.5775 2.5775 3.6235 3.6235 3.8519 3.8519 4.0843 4.0843 4.1852 4.1852 5.1018 5.1018 5.4564 5.4564 5.5632 5.5632 5.7233 5.7233 6.3538 6.3538 6.5484 6.5484 6.6857 6.6857 8.2216 8.2216 8.5173 8.5173 9.0105 9.0105 9.2295 9.2295 9.8380 9.8380 9.9432 9.9432 k = 0.0000 0.0000 0.5707 ( 7420 PWs) bands (ev): -20.6854 -20.6854 -20.6833 -20.6833 -7.4014 -7.4014 -7.3923 -7.3923 -5.7847 -5.7847 -5.4789 -5.4789 -5.4535 -5.4535 -5.3308 -5.3308 -5.1003 -5.1003 -4.9719 -4.9719 -3.5486 -3.5486 -3.4921 -3.4921 -2.4193 -2.4193 -2.3498 -2.3498 2.4266 2.4266 2.4919 2.4919 2.5420 2.5420 3.6251 3.6251 3.8430 3.8430 4.0758 4.0758 4.2264 4.2264 5.0392 5.0392 5.4196 5.4196 5.5071 5.5071 5.6779 5.6779 6.3390 6.3390 6.5648 6.5648 6.6772 6.6772 8.2876 8.2876 8.5778 8.5778 9.0291 9.0291 9.2514 9.2514 9.8233 9.8233 9.9358 9.9358 k = 0.0000 0.0000 0.5956 ( 7404 PWs) bands (ev): -20.6848 -20.6848 -20.6826 -20.6826 -7.4030 -7.4030 -7.3949 -7.3949 -5.7863 -5.7863 -5.4663 -5.4663 -5.4585 -5.4585 -5.3279 -5.3279 -5.0794 -5.0794 -4.9564 -4.9564 -3.5504 -3.5504 -3.5010 -3.5010 -2.4337 -2.4337 -2.3753 -2.3753 2.3972 2.3972 2.4722 2.4722 2.5126 2.5126 3.6293 3.6293 3.8353 3.8353 4.0696 4.0696 4.2686 4.2686 4.9786 4.9786 5.3837 5.3837 5.4478 5.4478 5.6371 5.6371 6.3218 6.3218 6.5833 6.5833 6.6694 6.6694 8.3483 8.3483 8.6408 8.6408 9.0490 9.0490 9.2749 9.2749 9.7962 9.7962 9.9316 9.9316 k = 0.0000 0.0000 0.6204 ( 7428 PWs) bands (ev): -20.6841 -20.6841 -20.6820 -20.6820 -7.4051 -7.4051 -7.3969 -7.3969 -5.7879 -5.7879 -5.4632 -5.4632 -5.4541 -5.4541 -5.3251 -5.3251 -5.0586 -5.0586 -4.9415 -4.9415 -3.5522 -3.5522 -3.5096 -3.5096 -2.4483 -2.4483 -2.3997 -2.3997 2.3671 2.3671 2.4535 2.4535 2.4874 2.4874 3.6357 3.6357 3.8294 3.8294 4.0657 4.0657 4.3106 4.3106 4.9207 4.9207 5.3465 5.3465 5.3890 5.3890 5.6005 5.6005 6.3035 6.3035 6.6011 6.6011 6.6637 6.6637 8.4031 8.4031 8.7058 8.7058 9.0707 9.0707 9.3000 9.3000 9.7611 9.7611 9.9273 9.9273 k = 0.0000 0.0000 0.6452 ( 7452 PWs) bands (ev): -20.6836 -20.6836 -20.6814 -20.6814 -7.4075 -7.4075 -7.3983 -7.3983 -5.7896 -5.7896 -5.4675 -5.4675 -5.4426 -5.4426 -5.3225 -5.3225 -5.0380 -5.0380 -4.9276 -4.9276 -3.5539 -3.5539 -3.5179 -3.5179 -2.4633 -2.4633 -2.4227 -2.4227 2.3378 2.3378 2.4360 2.4360 2.4653 2.4653 3.6437 3.6437 3.8257 3.8257 4.0638 4.0638 4.3515 4.3515 4.8661 4.8661 5.3006 5.3006 5.3399 5.3399 5.5678 5.5678 6.2852 6.2852 6.6137 6.6137 6.6637 6.6637 8.4519 8.4519 8.7718 8.7718 9.0942 9.0942 9.3263 9.3263 9.7217 9.7217 9.9205 9.9205 k = 0.0000 0.0000 0.6700 ( 7452 PWs) bands (ev): -20.6830 -20.6830 -20.6809 -20.6809 -7.4102 -7.4102 -7.3993 -7.3993 -5.7913 -5.7913 -5.4714 -5.4714 -5.4317 -5.4317 -5.3201 -5.3201 -5.0178 -5.0178 -4.9148 -4.9148 -3.5556 -3.5556 -3.5258 -3.5258 -2.4786 -2.4786 -2.4437 -2.4437 2.3104 2.3104 2.4198 2.4198 2.4454 2.4454 3.6526 3.6526 3.8248 3.8248 4.0636 4.0636 4.3906 4.3906 4.8153 4.8153 5.2428 5.2428 5.3051 5.3051 5.5386 5.5386 6.2674 6.2674 6.6165 6.6165 6.6732 6.6732 8.4949 8.4949 8.8374 8.8374 9.1201 9.1201 9.3535 9.3535 9.6809 9.6809 9.9101 9.9101 k = 0.0000 0.0000 0.6948 ( 7452 PWs) bands (ev): -20.6825 -20.6825 -20.6804 -20.6804 -7.4127 -7.4127 -7.4002 -7.4002 -5.7929 -5.7929 -5.4750 -5.4750 -5.4216 -5.4216 -5.3179 -5.3179 -4.9984 -4.9984 -4.9034 -4.9034 -3.5571 -3.5571 -3.5330 -3.5330 -2.4944 -2.4944 -2.4621 -2.4621 2.2856 2.2856 2.4050 2.4050 2.4275 2.4275 3.6614 3.6614 3.8270 3.8270 4.0648 4.0648 4.4273 4.4273 4.7687 4.7687 5.1820 5.1820 5.2771 5.2771 5.5127 5.5127 6.2507 6.2507 6.6124 6.6124 6.6893 6.6893 8.5325 8.5325 8.9006 8.9006 9.1489 9.1489 9.3812 9.3812 9.6405 9.6405 9.8963 9.8963 k = 0.0000 0.0000 0.7196 ( 7420 PWs) bands (ev): -20.6821 -20.6821 -20.6800 -20.6800 -7.4152 -7.4152 -7.4008 -7.4008 -5.7944 -5.7944 -5.4781 -5.4781 -5.4124 -5.4124 -5.3159 -5.3159 -4.9799 -4.9799 -4.8933 -4.8933 -3.5585 -3.5585 -3.5396 -3.5396 -2.5102 -2.5102 -2.4778 -2.4778 2.2637 2.2637 2.3915 2.3915 2.4114 2.4114 3.6695 3.6695 3.8322 3.8322 4.0669 4.0669 4.4612 4.4612 4.7267 4.7267 5.1228 5.1228 5.2530 5.2530 5.4900 5.4900 6.2352 6.2352 6.6059 6.6059 6.7070 6.7070 8.5650 8.5650 8.9591 8.9591 9.1812 9.1812 9.4090 9.4090 9.6022 9.6022 9.8798 9.8798 k = 0.0000 0.0000 0.7445 ( 7420 PWs) bands (ev): -20.6817 -20.6817 -20.6796 -20.6796 -7.4174 -7.4174 -7.4014 -7.4014 -5.7958 -5.7958 -5.4808 -5.4808 -5.4043 -5.4043 -5.3141 -5.3141 -4.9627 -4.9627 -4.8849 -4.8849 -3.5599 -3.5599 -3.5455 -3.5455 -2.5255 -2.5255 -2.4910 -2.4910 2.2448 2.2448 2.3796 2.3796 2.3972 2.3972 3.6763 3.6763 3.8404 3.8404 4.0695 4.0695 4.4919 4.4919 4.6897 4.6897 5.0670 5.0670 5.2319 5.2319 5.4703 5.4703 6.2213 6.2213 6.5989 6.5989 6.7241 6.7241 8.5929 8.5929 9.0105 9.0105 9.2174 9.2174 9.4360 9.4360 9.5671 9.5671 9.8619 9.8619 k = 0.0000 0.0000 0.7693 ( 7416 PWs) bands (ev): -20.6813 -20.6813 -20.6792 -20.6792 -7.4193 -7.4193 -7.4019 -7.4019 -5.7970 -5.7970 -5.4831 -5.4831 -5.3972 -5.3972 -5.3126 -5.3126 -4.9470 -4.9470 -4.8782 -4.8782 -3.5612 -3.5612 -3.5504 -3.5504 -2.5395 -2.5395 -2.5019 -2.5019 2.2288 2.2288 2.3693 2.3693 2.3849 2.3849 3.6814 3.6814 3.8508 3.8508 4.0724 4.0724 4.5189 4.5189 4.6579 4.6579 5.0162 5.0162 5.2140 5.2140 5.4536 5.4536 6.2092 6.2092 6.5922 6.5922 6.7396 6.7396 8.6162 8.6162 9.0532 9.0532 9.2570 9.2570 9.4616 9.4616 9.5365 9.5365 9.8439 9.8439 k = 0.0000 0.0000 0.7941 ( 7420 PWs) bands (ev): -20.6810 -20.6810 -20.6790 -20.6790 -7.4209 -7.4209 -7.4023 -7.4023 -5.7981 -5.7981 -5.4849 -5.4849 -5.3913 -5.3913 -5.3113 -5.3113 -4.9330 -4.9330 -4.8733 -4.8733 -3.5626 -3.5626 -3.5542 -3.5542 -2.5516 -2.5516 -2.5108 -2.5108 2.2159 2.2159 2.3608 2.3608 2.3746 2.3746 3.6851 3.6851 3.8623 3.8623 4.0751 4.0751 4.5418 4.5418 4.6316 4.6316 4.9716 4.9716 5.1992 5.1992 5.4400 5.4400 6.1991 6.1991 6.5863 6.5863 6.7530 6.7530 8.6353 8.6353 9.0867 9.0867 9.2974 9.2974 9.4847 9.4847 9.5113 9.5113 9.8269 9.8269 k = 0.0000 0.0000 0.8189 ( 7428 PWs) bands (ev): -20.6808 -20.6808 -20.6787 -20.6787 -7.4222 -7.4222 -7.4026 -7.4026 -5.7989 -5.7989 -5.4864 -5.4864 -5.3866 -5.3866 -5.3103 -5.3103 -4.9213 -4.9213 -4.8701 -4.8701 -3.5640 -3.5640 -3.5569 -3.5569 -2.5614 -2.5614 -2.5177 -2.5177 2.2059 2.2059 2.3541 2.3541 2.3665 2.3665 3.6875 3.6875 3.8734 3.8734 4.0774 4.0774 4.5601 4.5601 4.6113 4.6113 4.9347 4.9347 5.1875 5.1875 5.4294 5.4294 6.1911 6.1911 6.5815 6.5815 6.7638 6.7638 8.6500 8.6500 9.1117 9.1117 9.3346 9.3346 9.4926 9.4926 9.5044 9.5044 9.8122 9.8122 k = 0.0000 0.0000 0.8437 ( 7424 PWs) bands (ev): -20.6806 -20.6806 -20.6786 -20.6786 -7.4231 -7.4231 -7.4028 -7.4028 -5.7995 -5.7995 -5.4874 -5.4874 -5.3832 -5.3832 -5.3096 -5.3096 -4.9121 -4.9121 -4.8683 -4.8683 -3.5654 -3.5654 -3.5586 -3.5586 -2.5686 -2.5686 -2.5227 -2.5227 2.1989 2.1989 2.3492 2.3492 2.3606 2.3606 3.6890 3.6890 3.8827 3.8827 4.0791 4.0791 4.5728 4.5728 4.5975 4.5975 4.9068 4.9068 5.1791 5.1791 5.4219 5.4219 6.1852 6.1852 6.5780 6.5780 6.7717 6.7717 8.6605 8.6605 9.1289 9.1289 9.3638 9.3638 9.4812 9.4812 9.5195 9.5195 9.8007 9.8007 k = 0.0000 0.0000 0.8685 ( 7424 PWs) bands (ev): -20.6806 -20.6806 -20.6785 -20.6785 -7.4236 -7.4236 -7.4030 -7.4030 -5.7999 -5.7999 -5.4881 -5.4881 -5.3812 -5.3812 -5.3092 -5.3092 -4.9062 -4.9062 -4.8676 -4.8676 -3.5664 -3.5664 -3.5594 -3.5594 -2.5730 -2.5730 -2.5257 -2.5257 2.1946 2.1946 2.3463 2.3463 2.3570 2.3570 3.6898 3.6898 3.8889 3.8889 4.0802 4.0802 4.5777 4.5777 4.5923 4.5923 4.8894 4.8894 5.1740 5.1740 5.4173 5.4173 6.1817 6.1817 6.5758 6.5758 6.7765 6.7765 8.6669 8.6669 9.1390 9.1390 9.3812 9.3812 9.4768 9.4768 9.5291 9.5291 9.7933 9.7933 k = 0.0000 0.0000 0.8933 ( 7424 PWs) bands (ev): -20.6805 -20.6805 -20.6784 -20.6784 -7.4238 -7.4238 -7.4030 -7.4030 -5.8000 -5.8000 -5.4883 -5.4883 -5.3805 -5.3805 -5.3090 -5.3090 -4.9041 -4.9041 -4.8675 -4.8675 -3.5667 -3.5667 -3.5597 -3.5597 -2.5744 -2.5744 -2.5267 -2.5267 2.1932 2.1932 2.3454 2.3454 2.3558 2.3558 3.6900 3.6900 3.8911 3.8911 4.0805 4.0805 4.5776 4.5776 4.5924 4.5924 4.8835 4.8835 5.1723 5.1723 5.4158 5.4158 6.1805 6.1805 6.5750 6.5750 6.7781 6.7781 8.6690 8.6690 9.1424 9.1424 9.3866 9.3866 9.4760 9.4760 9.5324 9.5324 9.7907 9.7907 k = 0.0000 0.0000 0.8933 ( 7424 PWs) bands (ev): -20.6805 -20.6805 -20.6784 -20.6784 -7.4238 -7.4238 -7.4030 -7.4030 -5.8000 -5.8000 -5.4883 -5.4883 -5.3805 -5.3805 -5.3090 -5.3090 -4.9041 -4.9041 -4.8675 -4.8675 -3.5667 -3.5667 -3.5597 -3.5597 -2.5744 -2.5744 -2.5267 -2.5267 2.1932 2.1932 2.3454 2.3454 2.3558 2.3558 3.6900 3.6900 3.8911 3.8911 4.0805 4.0805 4.5776 4.5776 4.5924 4.5924 4.8835 4.8835 5.1723 5.1723 5.4158 5.4158 6.1805 6.1805 6.5750 6.5750 6.7781 6.7781 8.6690 8.6690 9.1424 9.1424 9.3866 9.3866 9.4760 9.4760 9.5324 9.5324 9.7907 9.7907 k = 0.0000 0.0250 0.8933 ( 7420 PWs) bands (ev): -20.6805 -20.6805 -20.6784 -20.6784 -7.4240 -7.4236 -7.4033 -7.4028 -5.8006 -5.7987 -5.4894 -5.4877 -5.3806 -5.3805 -5.3096 -5.3096 -4.9046 -4.9045 -4.8679 -4.8663 -3.5671 -3.5647 -3.5589 -3.5589 -2.5748 -2.5747 -2.5276 -2.5271 2.1916 2.1973 2.3438 2.3466 2.3540 2.3590 3.6705 3.7039 3.8571 3.9177 4.0775 4.0908 4.5583 4.5813 4.5884 4.6121 4.8747 4.8782 5.1656 5.1937 5.4114 5.4311 6.1767 6.1805 6.5655 6.5704 6.7763 6.7849 8.6641 8.6695 9.1248 9.1457 9.3748 9.3917 9.4759 9.4774 9.5187 9.5261 9.7937 9.7946 k = 0.0000 0.0500 0.8933 ( 7418 PWs) bands (ev): -20.6805 -20.6805 -20.6785 -20.6785 -7.4240 -7.4234 -7.4036 -7.4026 -5.8004 -5.7965 -5.4913 -5.4879 -5.3808 -5.3808 -5.3112 -5.3111 -4.9058 -4.9057 -4.8675 -4.8644 -3.5658 -3.5614 -3.5565 -3.5564 -2.5756 -2.5754 -2.5297 -2.5289 2.1927 2.2039 2.3427 2.3448 2.3560 2.3626 3.6456 3.7115 3.8193 3.9355 4.0790 4.1095 4.5349 4.5799 4.5888 4.6366 4.8553 4.8615 5.1708 5.2276 5.4164 5.4580 6.1691 6.1764 6.5458 6.5518 6.7791 6.7930 8.6553 8.6662 9.0952 9.1330 9.3549 9.3872 9.4750 9.4764 9.4925 9.5090 9.8035 9.8052 k = 0.0000 0.0750 0.8933 ( 7418 PWs) bands (ev): -20.6805 -20.6805 -20.6785 -20.6785 -7.4240 -7.4231 -7.4040 -7.4025 -5.7994 -5.7936 -5.4938 -5.4887 -5.3812 -5.3812 -5.3138 -5.3136 -4.9077 -4.9072 -4.8665 -4.8622 -3.5630 -3.5569 -3.5527 -3.5519 -2.5771 -2.5767 -2.5332 -2.5319 2.1965 2.2128 2.3408 2.3418 2.3611 2.3670 3.6154 3.7087 3.7844 3.9456 4.0826 4.1350 4.5112 4.5772 4.5898 4.6612 4.8311 4.8396 5.1828 5.2696 5.4293 5.4961 6.1580 6.1678 6.5212 6.5230 6.7823 6.7977 8.6435 8.6607 9.0554 9.1038 9.3259 9.3631 9.4383 9.4618 9.5030 9.5043 9.8202 9.8223 k = 0.0000 0.1000 0.8933 ( 7410 PWs) bands (ev): -20.6805 -20.6805 -20.6785 -20.6785 -7.4240 -7.4227 -7.4044 -7.4025 -5.7976 -5.7900 -5.4970 -5.4902 -5.3818 -5.3817 -5.3173 -5.3170 -4.9100 -4.9088 -4.8653 -4.8598 -3.5586 -3.5516 -3.5474 -3.5455 -2.5790 -2.5785 -2.5378 -2.5361 2.2032 2.2241 2.3360 2.3407 2.3674 2.3724 3.5804 3.6862 3.7636 3.9506 4.0863 4.1642 4.4875 4.5734 4.5911 4.6842 4.8072 4.8186 5.1985 5.3154 5.4488 5.5436 6.1435 6.1547 6.4885 6.4958 6.7816 6.7956 8.6303 8.6546 9.0074 9.0597 9.2853 9.3160 9.3918 9.4396 9.5208 9.5297 9.8435 9.8457 k = 0.0000 0.1250 0.8933 ( 7396 PWs) bands (ev): -20.6804 -20.6804 -20.6785 -20.6785 -7.4239 -7.4223 -7.4049 -7.4025 -5.7950 -5.7855 -5.5010 -5.4926 -5.3825 -5.3822 -5.3217 -5.3211 -4.9122 -4.9102 -4.8640 -4.8577 -3.5529 -3.5454 -3.5407 -3.5373 -2.5814 -2.5809 -2.5434 -2.5414 2.2128 2.2375 2.3310 2.3393 2.3745 2.3788 3.5411 3.6453 3.7573 3.9523 4.0886 4.1937 4.4643 4.5688 4.5927 4.7040 4.7872 4.8032 5.2167 5.3622 5.4739 5.5980 6.1261 6.1370 6.4514 6.4726 6.7739 6.7845 8.6171 8.6498 8.9532 9.0039 9.2301 9.2545 9.3498 9.4133 9.5513 9.5660 9.8730 9.8755 k = 0.0000 0.1500 0.8933 ( 7396 PWs) bands (ev): -20.6804 -20.6804 -20.6786 -20.6786 -7.4237 -7.4218 -7.4055 -7.4026 -5.7916 -5.7804 -5.5059 -5.4958 -5.3833 -5.3829 -5.3267 -5.3258 -4.9143 -4.9113 -4.8630 -4.8558 -3.5461 -3.5382 -3.5328 -3.5277 -2.5844 -2.5838 -2.5500 -2.5477 2.2253 2.2531 2.3261 2.3378 2.3816 2.3860 3.4981 3.5965 3.7562 3.9520 4.0886 4.2209 4.4428 4.5639 4.5946 4.7190 4.7732 4.7961 5.2374 5.4080 5.5034 5.6569 6.1061 6.1152 6.4137 6.4533 6.7577 6.7635 8.6050 8.6478 8.8947 8.9403 9.1621 9.1860 9.3134 9.3831 9.5923 9.6109 9.9082 9.9111 k = 0.0000 0.1750 0.8933 ( 7396 PWs) bands (ev): -20.6804 -20.6804 -20.6786 -20.6786 -7.4235 -7.4213 -7.4060 -7.4028 -5.7874 -5.7745 -5.5117 -5.4999 -5.3841 -5.3836 -5.3322 -5.3309 -4.9161 -4.9118 -4.8623 -4.8543 -3.5382 -3.5301 -3.5238 -3.5171 -2.5878 -2.5873 -2.5574 -2.5548 2.2405 2.2700 2.3219 2.3370 2.3884 2.3936 3.4521 3.5443 3.7565 3.9501 4.0857 4.2426 4.4250 4.5596 4.5971 4.7296 4.7664 4.7970 5.2608 5.4511 5.5364 5.7181 6.0846 6.0901 6.3765 6.4388 6.7327 6.7328 8.5940 8.6494 8.8340 8.8722 9.0864 9.1153 9.2796 9.3497 9.6421 9.6635 9.9486 9.9523 k = 0.0000 0.2000 0.8933 ( 7396 PWs) bands (ev): -20.6803 -20.6803 -20.6786 -20.6786 -7.4232 -7.4207 -7.4066 -7.4030 -5.7823 -5.7678 -5.5184 -5.5051 -5.3850 -5.3843 -5.3380 -5.3363 -4.9173 -4.9119 -4.8621 -4.8534 -3.5294 -3.5211 -3.5139 -3.5058 -2.5917 -2.5912 -2.5653 -2.5626 2.2576 2.2868 2.3195 2.3384 2.3944 2.4015 3.4035 3.4902 3.7575 3.9470 4.0795 4.2555 4.4146 4.5570 4.6002 4.7388 4.7671 4.8024 5.2863 5.4899 5.5722 5.7800 6.0627 6.0627 6.3404 6.4294 6.6937 6.6996 8.5826 8.6540 8.7733 8.8025 9.0068 9.0457 9.2463 9.3139 9.6996 9.7231 9.9936 9.9984 k = 0.0000 0.2250 0.8933 ( 7392 PWs) bands (ev): -20.6803 -20.6803 -20.6787 -20.6787 -7.4228 -7.4201 -7.4073 -7.4033 -5.7764 -5.7604 -5.5262 -5.5113 -5.3859 -5.3851 -5.3439 -5.3417 -4.9180 -4.9114 -4.8625 -4.8529 -3.5200 -3.5115 -3.5034 -3.4940 -2.5960 -2.5955 -2.5736 -2.5708 2.2741 2.2998 2.3215 2.3454 2.3991 2.4097 3.3529 3.4348 3.7592 3.9432 4.0700 4.2563 4.4146 4.5571 4.6040 4.7499 4.7752 4.8083 5.3129 5.5230 5.6102 5.8409 6.0338 6.0416 6.3055 6.4248 6.6483 6.6599 8.5675 8.6587 8.7155 8.7355 8.9264 8.9805 9.2129 9.2764 9.7637 9.7886 10.0426 10.0486 k = 0.0000 0.2500 0.8933 ( 7396 PWs) bands (ev): -20.6802 -20.6802 -20.6787 -20.6787 -7.4224 -7.4194 -7.4080 -7.4037 -5.7696 -5.7523 -5.5350 -5.5187 -5.3866 -5.3857 -5.3497 -5.3471 -4.9181 -4.9103 -4.8633 -4.8530 -3.5101 -3.5013 -3.4925 -3.4820 -2.6006 -2.6003 -2.5821 -2.5793 2.2850 2.3062 2.3333 2.3593 2.4023 2.4195 3.3007 3.3786 3.7618 3.9391 4.0576 4.2459 4.4243 4.5605 4.6083 4.7649 4.7907 4.8123 5.3389 5.5493 5.6494 5.8993 6.0040 6.0230 6.2721 6.4243 6.5992 6.6155 8.5440 8.6410 8.6631 8.6927 8.8487 8.9238 9.1791 9.2382 9.8334 9.8592 10.0947 10.1021 k = 0.0000 0.2750 0.8933 ( 7400 PWs) bands (ev): -20.6802 -20.6801 -20.6788 -20.6788 -7.4220 -7.4186 -7.4087 -7.4041 -5.7620 -5.7435 -5.5448 -5.5272 -5.3873 -5.3864 -5.3553 -5.3523 -4.9177 -4.9086 -4.8647 -4.8537 -3.5000 -3.4908 -3.4817 -3.4703 -2.6055 -2.6054 -2.5904 -2.5878 2.2890 2.3084 2.3556 2.3748 2.4041 2.4339 3.2472 3.3217 3.7657 3.9355 4.0428 4.2279 4.4401 4.5673 4.6127 4.7846 4.8134 4.8136 5.3621 5.5687 5.6879 5.9531 5.9736 6.0087 6.2406 6.4272 6.5500 6.5687 8.5089 8.5834 8.6164 8.6845 8.7828 8.8801 9.1454 9.1999 9.9076 9.9338 10.1490 10.1578 k = 0.0000 0.3000 0.8933 ( 7388 PWs) bands (ev): -20.6801 -20.6801 -20.6789 -20.6789 -7.4215 -7.4179 -7.4094 -7.4047 -5.7537 -5.7340 -5.5556 -5.5368 -5.3877 -5.3869 -5.3605 -5.3571 -4.9166 -4.9065 -4.8666 -4.8549 -3.4897 -3.4801 -3.4712 -3.4591 -2.6107 -2.6106 -2.5985 -2.5960 2.2905 2.3092 2.3816 2.3849 2.4073 2.4568 3.1926 3.2644 3.7709 3.9331 4.0260 4.2055 4.4587 4.5770 4.6168 4.8093 4.8120 4.8430 5.3799 5.5811 5.7230 5.9434 5.9892 6.0110 6.2126 6.4316 6.5050 6.5218 8.4653 8.5214 8.5708 8.6505 8.7549 8.8522 9.1122 9.1622 9.9849 10.0110 10.2043 10.2145 k = 0.0000 0.3250 0.8933 ( 7396 PWs) bands (ev): -20.6800 -20.6800 -20.6789 -20.6789 -7.4209 -7.4170 -7.4102 -7.4052 -5.7445 -5.7238 -5.5672 -5.5474 -5.3880 -5.3873 -5.3652 -5.3616 -4.9150 -4.9039 -4.8689 -4.8566 -3.4795 -3.4696 -3.4613 -3.4486 -2.6161 -2.6157 -2.6060 -2.6038 2.2918 2.3102 2.3886 2.3922 2.4283 2.4880 3.1372 3.2068 3.7777 3.9327 4.0077 4.1809 4.4782 4.5892 4.6199 4.8068 4.8398 4.8794 5.3898 5.5859 5.7514 5.9154 5.9881 6.0462 6.1914 6.4321 6.4719 6.4769 8.4192 8.4629 8.5226 8.5888 8.7610 8.8392 9.0798 9.1255 10.0638 10.0895 10.2594 10.2709 k = 0.0000 0.3500 0.8933 ( 7396 PWs) bands (ev): -20.6799 -20.6799 -20.6790 -20.6790 -7.4203 -7.4162 -7.4110 -7.4059 -5.7345 -5.7130 -5.5797 -5.5588 -5.3880 -5.3875 -5.3694 -5.3657 -4.9129 -4.9009 -4.8716 -4.8588 -3.4697 -3.4593 -3.4524 -3.4393 -2.6214 -2.6206 -2.6129 -2.6110 2.2940 2.3119 2.3878 2.3892 2.4646 2.5249 3.0814 3.1490 3.7862 3.9348 3.9885 4.1551 4.4975 4.6034 4.6217 4.7990 4.8755 4.9224 5.3895 5.5811 5.7692 5.8935 5.9876 6.0708 6.1835 6.4186 6.4355 6.4626 8.3753 8.4101 8.4726 8.5239 8.7764 8.8375 9.0485 9.0904 10.1425 10.1674 10.3126 10.3252 k = 0.0000 0.3750 0.8933 ( 7394 PWs) bands (ev): -20.6799 -20.6799 -20.6791 -20.6791 -7.4197 -7.4153 -7.4118 -7.4066 -5.7238 -5.7016 -5.5927 -5.5710 -5.3878 -5.3876 -5.3731 -5.3695 -4.9104 -4.8976 -4.8747 -4.8613 -3.4605 -3.4496 -3.4447 -3.4314 -2.6264 -2.6252 -2.6190 -2.6174 2.2974 2.3147 2.3827 2.3839 2.5057 2.5660 3.0252 3.0914 3.7965 3.9396 3.9688 4.1289 4.5159 4.6191 4.6217 4.7884 4.9164 4.9718 5.3778 5.5632 5.7763 5.8807 5.9906 6.0770 6.1932 6.3989 6.4034 6.4651 8.3363 8.3644 8.4235 8.4629 8.7943 8.8432 9.0187 9.0571 10.2188 10.2427 10.3622 10.3758 k = 0.0000 0.4000 0.8933 ( 7402 PWs) bands (ev): -20.6798 -20.6798 -20.6792 -20.6791 -7.4190 -7.4144 -7.4126 -7.4073 -5.7125 -5.6896 -5.6062 -5.5838 -5.3875 -5.3873 -5.3763 -5.3728 -4.9075 -4.8941 -4.8781 -4.8643 -3.4521 -3.4408 -3.4386 -3.4251 -2.6306 -2.6292 -2.6244 -2.6230 2.3023 2.3186 2.3744 2.3780 2.5498 2.6104 2.9690 3.0340 3.8085 3.9476 3.9487 4.1028 4.5333 4.6195 4.6360 4.7755 4.9620 5.0269 5.3543 5.5296 5.7790 5.8735 5.9965 6.0721 6.2132 6.3677 6.3974 6.4677 8.3042 8.3270 8.3778 8.4084 8.8130 8.8538 8.9905 9.0258 10.2902 10.3130 10.4059 10.4203 k = 0.0000 0.4250 0.8933 ( 7406 PWs) bands (ev): -20.6797 -20.6797 -20.6792 -20.6792 -7.4183 -7.4135 -7.4134 -7.4081 -5.7005 -5.6772 -5.6199 -5.5970 -5.3872 -5.3866 -5.3790 -5.3757 -4.9042 -4.8903 -4.8817 -4.8676 -3.4448 -3.4340 -3.4331 -3.4206 -2.6338 -2.6324 -2.6289 -2.6277 2.3085 2.3238 2.3649 2.3707 2.5966 2.6574 2.9130 2.9770 3.8222 3.9287 3.9585 4.0772 4.5495 4.6152 4.6536 4.7607 5.0118 5.0871 5.3200 5.4812 5.7846 5.8657 6.0043 6.0639 6.2348 6.3420 6.4011 6.4672 8.2803 8.2992 8.3378 8.3619 8.8323 8.8676 8.9639 8.9968 10.3538 10.3753 10.4411 10.4562 k = 0.0000 0.4500 0.8933 ( 7392 PWs) bands (ev): -20.6796 -20.6796 -20.6793 -20.6793 -7.4175 -7.4143 -7.4126 -7.4090 -5.6879 -5.6644 -5.6338 -5.6105 -5.3867 -5.3855 -5.3813 -5.3783 -4.9007 -4.8865 -4.8855 -4.8711 -3.4388 -3.4313 -3.4266 -3.4180 -2.6360 -2.6345 -2.6325 -2.6313 2.3160 2.3301 2.3548 2.3625 2.6455 2.7067 2.8574 2.9206 3.8373 3.9090 3.9725 4.0527 4.5643 4.6087 4.6718 4.7443 5.0647 5.1515 5.2770 5.4220 5.7949 5.8546 6.0136 6.0550 6.2545 6.3211 6.4117 6.4625 8.2655 8.2819 8.3051 8.3245 8.8520 8.8839 8.9389 8.9699 10.4065 10.4267 10.4650 10.4808 k = 0.0000 0.4750 0.8933 ( 7388 PWs) bands (ev): -20.6796 -20.6795 -20.6794 -20.6794 -7.4167 -7.4151 -7.4117 -7.4098 -5.6749 -5.6512 -5.6477 -5.6241 -5.3858 -5.3842 -5.3832 -5.3806 -4.8970 -4.8894 -4.8825 -4.8748 -3.4343 -3.4305 -3.4218 -3.4173 -2.6369 -2.6355 -2.6352 -2.6339 2.3247 2.3374 2.3444 2.3539 2.6964 2.7580 2.8026 2.8652 3.8537 3.8898 3.9892 4.0296 4.5778 4.6002 4.6903 4.7269 5.1194 5.2190 5.2276 5.3565 5.8088 5.8405 6.0239 6.0452 6.2719 6.3036 6.4260 6.4534 8.2606 8.2757 8.2808 8.2972 8.8722 8.9023 8.9155 8.9453 10.4455 10.4644 10.4748 10.4915 k = 0.0000 0.5000 0.8933 ( 7384 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4159 -7.4159 -7.4107 -7.4107 -5.6614 -5.6614 -5.6377 -5.6377 -5.3847 -5.3847 -5.3825 -5.3825 -4.8932 -4.8932 -4.8786 -4.8786 -3.4315 -3.4315 -3.4186 -3.4186 -2.6366 -2.6366 -2.6353 -2.6353 2.3343 2.3343 2.3454 2.3454 2.7489 2.7489 2.8109 2.8109 3.8713 3.8713 4.0083 4.0083 4.5898 4.5898 4.7087 4.7087 5.1744 5.1744 5.2879 5.2879 5.8246 5.8246 6.0347 6.0347 6.2878 6.2878 6.4407 6.4407 8.2658 8.2658 8.2808 8.2808 8.8933 8.8933 8.9228 8.9228 10.4686 10.4686 10.4863 10.4863 k = 0.0000 0.5000 0.8933 ( 7384 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4159 -7.4159 -7.4107 -7.4107 -5.6614 -5.6614 -5.6377 -5.6377 -5.3847 -5.3847 -5.3825 -5.3825 -4.8932 -4.8932 -4.8786 -4.8786 -3.4315 -3.4315 -3.4186 -3.4186 -2.6366 -2.6366 -2.6353 -2.6353 2.3343 2.3343 2.3454 2.3454 2.7489 2.7489 2.8109 2.8109 3.8713 3.8713 4.0083 4.0083 4.5898 4.5898 4.7087 4.7087 5.1744 5.1744 5.2879 5.2879 5.8246 5.8246 6.0347 6.0347 6.2878 6.2878 6.4407 6.4407 8.2658 8.2658 8.2808 8.2808 8.8933 8.8933 8.9228 8.9228 10.4686 10.4686 10.4863 10.4863 k = 0.0250 0.5000 0.8933 ( 7384 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4159 -7.4159 -7.4107 -7.4107 -5.6620 -5.6620 -5.6367 -5.6367 -5.3861 -5.3861 -5.3816 -5.3816 -4.8943 -4.8943 -4.8780 -4.8780 -3.4310 -3.4310 -3.4180 -3.4180 -2.6373 -2.6373 -2.6350 -2.6350 2.3327 2.3327 2.3439 2.3439 2.7497 2.7497 2.8116 2.8116 3.8744 3.8744 4.0115 4.0115 4.5884 4.5884 4.7081 4.7081 5.1752 5.1752 5.2881 5.2881 5.8212 5.8212 6.0323 6.0323 6.2843 6.2843 6.4367 6.4367 8.2705 8.2705 8.2850 8.2850 8.8934 8.8934 8.9229 8.9229 10.4696 10.4696 10.4873 10.4873 k = 0.0500 0.5000 0.8933 ( 7400 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4160 -7.4160 -7.4107 -7.4107 -5.6636 -5.6636 -5.6340 -5.6340 -5.3887 -5.3887 -5.3804 -5.3804 -4.8970 -4.8970 -4.8765 -4.8765 -3.4294 -3.4294 -3.4162 -3.4162 -2.6385 -2.6385 -2.6345 -2.6345 2.3278 2.3278 2.3393 2.3393 2.7523 2.7523 2.8139 2.8139 3.8835 3.8835 4.0209 4.0209 4.5843 4.5843 4.7061 4.7061 5.1775 5.1775 5.2883 5.2883 5.8112 5.8112 6.0255 6.0255 6.2739 6.2739 6.4250 6.4250 8.2845 8.2845 8.2975 8.2975 8.8938 8.8938 8.9233 8.9233 10.4727 10.4727 10.4906 10.4906 k = 0.0750 0.5000 0.8933 ( 7412 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4160 -7.4160 -7.4107 -7.4107 -5.6655 -5.6655 -5.6301 -5.6301 -5.3918 -5.3918 -5.3796 -5.3796 -4.9006 -4.9006 -4.8749 -4.8749 -3.4268 -3.4268 -3.4133 -3.4133 -2.6401 -2.6401 -2.6343 -2.6343 2.3198 2.3198 2.3317 2.3317 2.7570 2.7570 2.8180 2.8180 3.8983 3.8983 4.0362 4.0362 4.5780 4.5780 4.7031 4.7031 5.1808 5.1808 5.2882 5.2882 5.7948 5.7948 6.0148 6.0148 6.2573 6.2573 6.4063 6.4063 8.3067 8.3067 8.3175 8.3175 8.8941 8.8941 8.9237 8.9237 10.4784 10.4784 10.4962 10.4962 k = 0.1000 0.5000 0.8933 ( 7408 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4161 -7.4161 -7.4107 -7.4107 -5.6674 -5.6674 -5.6256 -5.6256 -5.3954 -5.3954 -5.3792 -5.3792 -4.9047 -4.9047 -4.8736 -4.8736 -3.4233 -3.4233 -3.4094 -3.4094 -2.6418 -2.6418 -2.6345 -2.6345 2.3088 2.3088 2.3211 2.3211 2.7639 2.7639 2.8240 2.8240 3.9181 3.9181 4.0568 4.0568 4.5701 4.5701 4.6994 4.6994 5.1839 5.1839 5.2867 5.2867 5.7728 5.7728 6.0009 6.0009 6.2354 6.2354 6.3820 6.3820 8.3353 8.3353 8.3443 8.3443 8.8940 8.8940 8.9240 8.9240 10.4871 10.4871 10.5046 10.5046 k = 0.1250 0.5000 0.8933 ( 7420 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4162 -7.4162 -7.4107 -7.4107 -5.6689 -5.6689 -5.6208 -5.6208 -5.3992 -5.3992 -5.3793 -5.3793 -4.9088 -4.9088 -4.8728 -4.8728 -3.4188 -3.4188 -3.4046 -3.4046 -2.6438 -2.6438 -2.6349 -2.6349 2.2949 2.2949 2.3078 2.3078 2.7733 2.7733 2.8321 2.8321 3.9423 3.9423 4.0820 4.0820 4.5615 4.5615 4.6954 4.6954 5.1856 5.1856 5.2831 5.2831 5.7459 5.7459 5.9848 5.9848 6.2096 6.2096 6.3535 6.3535 8.3680 8.3680 8.3773 8.3773 8.8931 8.8931 8.9239 8.9239 10.4996 10.4996 10.5162 10.5162 k = 0.1500 0.5000 0.8933 ( 7432 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4163 -7.4163 -7.4107 -7.4107 -5.6699 -5.6699 -5.6159 -5.6159 -5.4034 -5.4034 -5.3798 -5.3798 -4.9129 -4.9129 -4.8727 -4.8727 -3.4134 -3.4134 -3.3990 -3.3990 -2.6458 -2.6458 -2.6356 -2.6356 2.2787 2.2787 2.2920 2.2920 2.7854 2.7854 2.8425 2.8425 3.9699 3.9699 4.1110 4.1110 4.5530 4.5530 4.6916 4.6916 5.1840 5.1840 5.2768 5.2768 5.7148 5.7148 5.9672 5.9672 6.1815 6.1815 6.3225 6.3225 8.4028 8.4028 8.4149 8.4149 8.8910 8.8910 8.9232 8.9232 10.5165 10.5165 10.5317 10.5317 k = 0.1750 0.5000 0.8933 ( 7436 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4164 -7.4164 -7.4107 -7.4107 -5.6704 -5.6704 -5.6111 -5.6111 -5.4077 -5.4077 -5.3806 -5.3806 -4.9167 -4.9167 -4.8733 -4.8733 -3.4073 -3.4073 -3.3927 -3.3927 -2.6480 -2.6480 -2.6366 -2.6366 2.2604 2.2604 2.2741 2.2741 2.8001 2.8001 2.8552 2.8552 4.0000 4.0000 4.1426 4.1426 4.5458 4.5458 4.6886 4.6886 5.1772 5.1772 5.2676 5.2676 5.6806 5.6806 5.9483 5.9483 6.1529 6.1529 6.2911 6.2911 8.4383 8.4383 8.4552 8.4552 8.8874 8.8874 8.9216 8.9216 10.5383 10.5383 10.5515 10.5515 k = 0.2000 0.5000 0.8933 ( 7428 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4164 -7.4164 -7.4108 -7.4108 -5.6703 -5.6703 -5.6066 -5.6066 -5.4119 -5.4119 -5.3819 -5.3819 -4.9203 -4.9203 -4.8745 -4.8745 -3.4005 -3.4005 -3.3860 -3.3860 -2.6502 -2.6502 -2.6379 -2.6379 2.2407 2.2407 2.2547 2.2547 2.8173 2.8173 2.8699 2.8699 4.0317 4.0317 4.1759 4.1759 4.5407 4.5407 4.6866 4.6866 5.1632 5.1632 5.2561 5.2561 5.6440 5.6440 5.9277 5.9277 6.1263 6.1263 6.2608 6.2608 8.4736 8.4736 8.4961 8.4961 8.8819 8.8819 8.9188 8.9188 10.5653 10.5653 10.5763 10.5763 k = 0.2250 0.5000 0.8933 ( 7424 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4165 -7.4165 -7.4109 -7.4109 -5.6694 -5.6694 -5.6027 -5.6027 -5.4161 -5.4161 -5.3835 -5.3835 -4.9234 -4.9234 -4.8764 -4.8764 -3.3933 -3.3933 -3.3791 -3.3791 -2.6524 -2.6524 -2.6395 -2.6395 2.2202 2.2202 2.2342 2.2342 2.8367 2.8367 2.8865 2.8865 4.0642 4.0642 4.2094 4.2094 4.5391 4.5391 4.6858 4.6858 5.1408 5.1408 5.2426 5.2426 5.6060 5.6060 5.9036 5.9036 6.1043 6.1043 6.2333 6.2333 8.5075 8.5075 8.5359 8.5359 8.8745 8.8745 8.9147 8.9147 10.5970 10.5970 10.6065 10.6065 k = 0.2500 0.5000 0.8933 ( 7432 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4164 -7.4164 -7.4111 -7.4111 -5.6680 -5.6680 -5.5995 -5.5995 -5.4199 -5.4199 -5.3854 -5.3854 -4.9260 -4.9260 -4.8789 -4.8789 -3.3858 -3.3858 -3.3719 -3.3719 -2.6545 -2.6545 -2.6412 -2.6412 2.1994 2.1994 2.2132 2.2132 2.8577 2.8577 2.9046 2.9046 4.0968 4.0968 4.2417 4.2417 4.5422 4.5422 4.6863 4.6863 5.1105 5.1105 5.2273 5.2273 5.5674 5.5674 5.8743 5.8743 6.0893 6.0893 6.2098 6.2098 8.5390 8.5390 8.5735 8.5735 8.8652 8.8652 8.9092 8.9092 10.6319 10.6319 10.6425 10.6425 k = 0.2750 0.5000 0.8933 ( 7412 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4164 -7.4164 -7.4113 -7.4113 -5.6658 -5.6658 -5.5971 -5.5971 -5.4231 -5.4231 -5.3876 -5.3876 -4.9281 -4.9281 -4.8819 -4.8819 -3.3781 -3.3781 -3.3649 -3.3649 -2.6566 -2.6566 -2.6432 -2.6432 2.1789 2.1789 2.1923 2.1923 2.8800 2.8800 2.9235 2.9235 4.1288 4.1288 4.2714 4.2714 4.5512 4.5512 4.6877 4.6877 5.0737 5.0737 5.2100 5.2100 5.5292 5.5292 5.8391 5.8391 6.0821 6.0821 6.1909 6.1909 8.5676 8.5676 8.6081 8.6081 8.8543 8.8543 8.9023 8.9023 10.6688 10.6688 10.6832 10.6832 k = 0.3000 0.5000 0.8933 ( 7420 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4163 -7.4163 -7.4115 -7.4115 -5.6630 -5.6630 -5.5958 -5.5958 -5.4257 -5.4257 -5.3902 -5.3902 -4.9295 -4.9295 -4.8854 -4.8854 -3.3704 -3.3704 -3.3581 -3.3581 -2.6584 -2.6584 -2.6454 -2.6454 2.1593 2.1593 2.1720 2.1720 2.9029 2.9029 2.9427 2.9427 4.1599 4.1599 4.2971 4.2971 4.5666 4.5666 4.6893 4.6893 5.0327 5.0327 5.1907 5.1907 5.4924 5.4924 5.7987 5.7987 6.0817 6.0817 6.1766 6.1766 8.5928 8.5928 8.6391 8.6391 8.8420 8.8420 8.8940 8.8940 10.7066 10.7066 10.7262 10.7262 k = 0.3250 0.5000 0.8933 ( 7420 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4162 -7.4162 -7.4117 -7.4117 -5.6595 -5.6595 -5.5956 -5.5956 -5.4275 -5.4275 -5.3930 -5.3930 -4.9304 -4.9304 -4.8893 -4.8893 -3.3630 -3.3630 -3.3517 -3.3517 -2.6600 -2.6600 -2.6477 -2.6477 2.1410 2.1410 2.1528 2.1528 2.9258 2.9258 2.9616 2.9616 4.1899 4.1899 4.3184 4.3184 4.5883 4.5883 4.6903 4.6903 4.9900 4.9900 5.1698 5.1698 5.4585 5.4585 5.7546 5.7546 6.0865 6.0865 6.1667 6.1667 8.6147 8.6147 8.6663 8.6663 8.8288 8.8288 8.8847 8.8847 10.7435 10.7435 10.7680 10.7680 k = 0.3500 0.5000 0.8933 ( 7408 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4160 -7.4160 -7.4120 -7.4120 -5.6555 -5.6555 -5.5967 -5.5967 -5.4283 -5.4283 -5.3960 -5.3960 -4.9305 -4.9305 -4.8934 -4.8934 -3.3560 -3.3560 -3.3459 -3.3459 -2.6613 -2.6613 -2.6500 -2.6500 2.1245 2.1245 2.1351 2.1351 2.9479 2.9479 2.9794 2.9794 4.2188 4.2188 4.3354 4.3354 4.6141 4.6141 4.6901 4.6901 4.9485 4.9485 5.1474 5.1474 5.4293 5.4293 5.7082 5.7082 6.0945 6.0945 6.1603 6.1603 8.6335 8.6335 8.6893 8.6893 8.8156 8.8156 8.8745 8.8745 10.7775 10.7775 10.8052 10.8052 k = 0.3750 0.5000 0.8933 ( 7408 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4158 -7.4158 -7.4124 -7.4124 -5.6509 -5.6509 -5.5989 -5.5989 -5.4282 -5.4282 -5.3992 -5.3992 -4.9300 -4.9300 -4.8978 -4.8978 -3.3495 -3.3495 -3.3408 -3.3408 -2.6623 -2.6623 -2.6523 -2.6523 2.1101 2.1101 2.1193 2.1193 2.9687 2.9687 2.9955 2.9955 4.2466 4.2466 4.3487 4.3487 4.6400 4.6400 4.6887 4.6887 4.9120 4.9120 5.1232 5.1232 5.4071 5.4071 5.6609 5.6609 6.1042 6.1042 6.1566 6.1566 8.6496 8.6496 8.7079 8.7079 8.8033 8.8033 8.8638 8.8638 10.8069 10.8069 10.8352 10.8352 k = 0.4000 0.5000 0.8933 ( 7420 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4155 -7.4155 -7.4127 -7.4127 -5.6458 -5.6458 -5.6022 -5.6022 -5.4272 -5.4272 -5.4027 -5.4027 -4.9289 -4.9289 -4.9022 -4.9022 -3.3438 -3.3438 -3.3367 -3.3367 -2.6629 -2.6629 -2.6545 -2.6545 2.0982 2.0982 2.1057 2.1057 2.9873 2.9873 3.0093 3.0093 4.2733 4.2733 4.3587 4.3587 4.6584 4.6584 4.6885 4.6885 4.8863 4.8863 5.0961 5.0961 5.3944 5.3944 5.6139 5.6139 6.1144 6.1144 6.1545 6.1545 8.6635 8.6635 8.7211 8.7211 8.7937 8.7937 8.8528 8.8528 10.8310 10.8310 10.8568 10.8568 k = 0.4250 0.5000 0.8933 ( 7416 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4152 -7.4152 -7.4131 -7.4131 -5.6403 -5.6403 -5.6064 -5.6064 -5.4254 -5.4254 -5.4062 -5.4062 -4.9271 -4.9271 -4.9066 -4.9066 -3.3390 -3.3390 -3.3335 -3.3335 -2.6632 -2.6632 -2.6566 -2.6566 2.0888 2.0888 2.0947 2.0947 3.0033 3.0033 3.0200 3.0200 4.2984 4.2984 4.3654 4.3654 4.6630 4.6630 4.6899 4.6899 4.8786 4.8786 5.0653 5.0653 5.3928 5.3928 5.5682 5.5682 6.1241 6.1241 6.1530 6.1530 8.6759 8.6759 8.7271 8.7271 8.7896 8.7896 8.8417 8.8417 10.8497 10.8497 10.8707 10.8707 k = 0.4500 0.5000 0.8933 ( 7412 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4149 -7.4149 -7.4135 -7.4135 -5.6346 -5.6346 -5.6114 -5.6114 -5.4230 -5.4230 -5.4098 -5.4098 -4.9248 -4.9248 -4.9109 -4.9109 -3.3352 -3.3352 -3.3315 -3.3315 -2.6630 -2.6630 -2.6585 -2.6585 2.0824 2.0824 2.0863 2.0863 3.0159 3.0159 3.0272 3.0272 4.3214 4.3214 4.3678 4.3678 4.6615 4.6615 4.6851 4.6851 4.8918 4.8918 5.0307 5.0307 5.4025 5.4025 5.5249 5.5249 6.1327 6.1327 6.1514 6.1514 8.6873 8.6873 8.7251 8.7251 8.7923 8.7923 8.8307 8.8307 10.8636 10.8636 10.8782 10.8782 k = 0.4750 0.5000 0.8933 ( 7412 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4146 -7.4146 -7.4138 -7.4138 -5.6286 -5.6286 -5.6169 -5.6169 -5.4201 -5.4201 -5.4134 -5.4134 -4.9219 -4.9219 -4.9149 -4.9149 -3.3325 -3.3325 -3.3306 -3.3306 -2.6624 -2.6624 -2.6601 -2.6601 2.0788 2.0788 2.0808 2.0808 3.0249 3.0249 3.0306 3.0306 4.3410 4.3410 4.3649 4.3649 4.6615 4.6615 4.6751 4.6751 4.9200 4.9200 4.9935 4.9935 5.4223 5.4223 5.4852 5.4852 6.1397 6.1397 6.1489 6.1489 8.6981 8.6981 8.7179 8.7179 8.7998 8.7998 8.8198 8.8198 10.8731 10.8731 10.8806 10.8806 k = 0.5000 0.5000 0.8933 ( 7408 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4142 -7.4142 -7.4142 -7.4142 -5.6227 -5.6227 -5.6227 -5.6227 -5.4168 -5.4168 -5.4168 -5.4168 -4.9186 -4.9186 -4.9186 -4.9186 -3.3309 -3.3309 -3.3309 -3.3309 -2.6614 -2.6614 -2.6614 -2.6614 2.0783 2.0783 2.0783 2.0783 3.0298 3.0298 3.0298 3.0298 4.3558 4.3558 4.3558 4.3558 4.6661 4.6661 4.6661 4.6661 4.9556 4.9556 4.9556 4.9556 5.4504 5.4504 5.4504 5.4504 6.1451 6.1451 6.1451 6.1451 8.7084 8.7084 8.7084 8.7084 8.8094 8.8094 8.8094 8.8094 10.8788 10.8788 10.8788 10.8788 k = 0.5000 0.5000 0.8933 ( 7408 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4142 -7.4142 -7.4142 -7.4142 -5.6227 -5.6227 -5.6227 -5.6227 -5.4168 -5.4168 -5.4168 -5.4168 -4.9186 -4.9186 -4.9186 -4.9186 -3.3309 -3.3309 -3.3309 -3.3309 -2.6614 -2.6614 -2.6614 -2.6614 2.0783 2.0783 2.0783 2.0783 3.0298 3.0298 3.0298 3.0298 4.3558 4.3558 4.3558 4.3558 4.6661 4.6661 4.6661 4.6661 4.9556 4.9556 4.9556 4.9556 5.4504 5.4504 5.4504 5.4504 6.1451 6.1451 6.1451 6.1451 8.7084 8.7084 8.7084 8.7084 8.8094 8.8094 8.8094 8.8094 10.8788 10.8788 10.8788 10.8788 k = 0.4828 0.4828 0.8933 ( 7416 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4147 -7.4143 -7.4141 -7.4137 -5.6297 -5.6270 -5.6184 -5.6159 -5.4203 -5.4197 -5.4138 -5.4131 -4.9224 -4.9212 -4.9158 -4.9143 -3.3326 -3.3322 -3.3306 -3.3306 -2.6627 -2.6620 -2.6604 -2.6600 2.0780 2.0798 2.0800 2.0812 3.0231 3.0261 3.0282 3.0339 4.3392 4.3497 4.3507 4.3725 4.6579 4.6656 4.6705 4.6790 4.9059 4.9534 4.9610 5.0064 5.4151 5.4474 5.4506 5.5011 6.1354 6.1433 6.1484 6.1505 8.6936 8.7065 8.7111 8.7206 8.7964 8.8063 8.8132 8.8234 10.8724 10.8726 10.8796 10.8833 k = 0.4655 0.4655 0.8933 ( 7412 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4152 -7.4144 -7.4140 -7.4132 -5.6370 -5.6315 -5.6140 -5.6093 -5.4234 -5.4222 -5.4107 -5.4093 -4.9258 -4.9234 -4.9127 -4.9096 -3.3356 -3.3345 -3.3316 -3.3313 -2.6638 -2.6621 -2.6587 -2.6585 2.0795 2.0833 2.0857 2.0878 3.0072 3.0143 3.0271 3.0396 4.3212 4.3342 4.3361 4.3879 4.6500 4.6648 4.6808 4.6993 4.8655 4.9543 4.9696 5.0520 5.3996 5.4415 5.4483 5.5627 6.1176 6.1353 6.1567 6.1597 8.6765 8.7042 8.7148 8.7278 8.7871 8.8036 8.8185 8.8384 10.8579 10.8589 10.8810 10.8893 k = 0.4483 0.4483 0.8933 ( 7404 PWs) bands (ev): -20.6795 -20.6795 -20.6794 -20.6794 -7.4156 -7.4145 -7.4139 -7.4126 -5.6445 -5.6362 -5.6096 -5.6029 -5.4260 -5.4244 -5.4076 -5.4055 -4.9286 -4.9254 -4.9093 -4.9045 -3.3398 -3.3378 -3.3338 -3.3330 -2.6647 -2.6616 -2.6567 -2.6566 2.0826 2.0884 2.0952 2.0983 2.9830 2.9934 3.0279 3.0471 4.2990 4.3084 4.3200 4.3985 4.6403 4.6620 4.6934 4.7256 4.8443 4.9584 4.9813 5.0893 5.4058 5.4330 5.4440 5.6311 6.0921 6.1205 6.1704 6.1749 8.6561 8.6980 8.7190 8.7257 8.7877 8.8012 8.8263 8.8551 10.8352 10.8359 10.8856 10.8979 k = 0.4310 0.4310 0.8933 ( 7412 PWs) bands (ev): -20.6795 -20.6795 -20.6794 -20.6794 -7.4161 -7.4147 -7.4137 -7.4120 -5.6522 -5.6413 -5.6051 -5.5966 -5.4279 -5.4261 -5.4045 -5.4018 -4.9309 -4.9271 -4.9058 -4.8992 -3.3453 -3.3420 -3.3373 -3.3358 -2.6652 -2.6607 -2.6547 -2.6539 2.0874 2.0949 2.1085 2.1126 2.9517 2.9650 3.0303 3.0562 4.2724 4.2757 4.3030 4.3989 4.6290 4.6569 4.7059 4.7548 4.8477 4.9652 4.9964 5.1207 5.4224 5.4291 5.4394 5.7020 6.0613 6.1011 6.1893 6.1961 8.6317 8.6808 8.7203 8.7225 8.7979 8.8002 8.8372 8.8740 10.8038 10.8048 10.8945 10.9098 k = 0.4138 0.4138 0.8933 ( 7424 PWs) bands (ev): -20.6795 -20.6795 -20.6794 -20.6794 -7.4165 -7.4148 -7.4135 -7.4114 -5.6603 -5.6467 -5.6004 -5.5905 -5.4289 -5.4271 -5.4017 -5.3982 -4.9327 -4.9285 -4.9020 -4.8936 -3.3519 -3.3472 -3.3419 -3.3397 -2.6653 -2.6592 -2.6525 -2.6508 2.0937 2.1030 2.1252 2.1304 2.9145 2.9304 3.0342 3.0671 4.2382 4.2432 4.2841 4.3858 4.6181 4.6500 4.7231 4.7843 4.8692 4.9746 5.0160 5.1516 5.4107 5.4325 5.4637 5.7684 6.0313 6.0806 6.2132 6.2233 8.6027 8.6513 8.7171 8.7239 8.8020 8.8119 8.8519 8.8949 10.7636 10.7669 10.9078 10.9248 k = 0.3966 0.3966 0.8933 ( 7412 PWs) bands (ev): -20.6796 -20.6796 -20.6794 -20.6794 -7.4170 -7.4150 -7.4133 -7.4108 -5.6685 -5.6526 -5.5955 -5.5845 -5.4290 -5.4276 -5.3990 -5.3947 -4.9340 -4.9296 -4.8982 -4.8880 -3.3597 -3.3534 -3.3476 -3.3447 -2.6649 -2.6574 -2.6500 -2.6472 2.1015 2.1123 2.1451 2.1513 2.8728 2.8910 3.0396 3.0797 4.1969 4.2131 4.2625 4.3609 4.6090 4.6419 4.7490 4.8116 4.8976 4.9862 5.0415 5.1869 5.3991 5.4289 5.4958 5.8136 6.0179 6.0631 6.2417 6.2560 8.5689 8.6138 8.7144 8.7219 8.8078 8.8272 8.8701 8.9177 10.7161 10.7218 10.9242 10.9405 k = 0.3793 0.3793 0.8933 ( 7422 PWs) bands (ev): -20.6796 -20.6796 -20.6793 -20.6793 -7.4174 -7.4152 -7.4131 -7.4102 -5.6770 -5.6590 -5.5904 -5.5786 -5.4281 -5.4273 -5.3965 -5.3914 -4.9349 -4.9304 -4.8943 -4.8824 -3.3685 -3.3607 -3.3544 -3.3509 -2.6639 -2.6550 -2.6471 -2.6431 2.1107 2.1229 2.1676 2.1749 2.8279 2.8480 3.0465 3.0941 4.1529 4.1828 4.2386 4.3296 4.6014 4.6333 4.7828 4.8345 4.9240 4.9999 5.0745 5.2283 5.3899 5.4287 5.5189 5.8139 6.0446 6.0533 6.2746 6.2940 8.5312 8.5714 8.7106 8.7163 8.8177 8.8433 8.8909 8.9417 10.6622 10.6698 10.9364 10.9466 k = 0.3621 0.3621 0.8933 ( 7430 PWs) bands (ev): -20.6797 -20.6797 -20.6793 -20.6793 -7.4179 -7.4154 -7.4128 -7.4096 -5.6856 -5.6659 -5.5852 -5.5727 -5.4263 -5.4261 -5.3943 -5.3883 -4.9353 -4.9310 -4.8903 -4.8769 -3.3782 -3.3689 -3.3622 -3.3582 -2.6622 -2.6521 -2.6439 -2.6387 2.1210 2.1345 2.1923 2.2007 2.7809 2.8028 3.0549 3.1101 4.1073 4.1529 4.2134 4.2965 4.5950 4.6248 4.8216 4.8510 4.9439 5.0150 5.1136 5.2746 5.3859 5.4337 5.5286 5.7772 6.0551 6.1032 6.3113 6.3364 8.4908 8.5262 8.7051 8.7075 8.8311 8.8605 8.9132 8.9665 10.6026 10.6114 10.9122 10.9197 k = 0.3448 0.3448 0.8933 ( 7420 PWs) bands (ev): -20.6797 -20.6797 -20.6792 -20.6792 -7.4183 -7.4157 -7.4124 -7.4089 -5.6943 -5.6733 -5.5798 -5.5669 -5.4247 -5.4231 -5.3923 -5.3852 -4.9354 -4.9313 -4.8864 -4.8717 -3.3887 -3.3780 -3.3708 -3.3666 -2.6597 -2.6486 -2.6403 -2.6340 2.1325 2.1470 2.2184 2.2281 2.7329 2.7563 3.0649 3.1280 4.0614 4.1239 4.1883 4.2644 4.5894 4.6167 4.8597 4.8621 4.9561 5.0309 5.1542 5.3215 5.3916 5.4454 5.5269 5.7253 6.0690 6.1721 6.3512 6.3820 8.4498 8.4805 8.6963 8.6975 8.8473 8.8792 8.9363 8.9916 10.5383 10.5472 10.8425 10.8601 k = 0.3276 0.3276 0.8933 ( 7418 PWs) bands (ev): -20.6798 -20.6798 -20.6792 -20.6792 -7.4188 -7.4160 -7.4121 -7.4083 -5.7031 -5.6811 -5.5742 -5.5611 -5.4223 -5.4190 -5.3905 -5.3823 -4.9352 -4.9314 -4.8827 -4.8667 -3.3999 -3.3880 -3.3803 -3.3761 -2.6564 -2.6445 -2.6365 -2.6290 2.1449 2.1602 2.2452 2.2564 2.6846 2.7095 3.0768 3.1476 4.0164 4.0961 4.1644 4.2349 4.5846 4.6092 4.8599 4.9016 4.9611 5.0471 5.1895 5.3564 5.4115 5.4662 5.5258 5.6692 6.0925 6.2410 6.3935 6.4294 8.4107 8.4370 8.6832 8.6878 8.8659 8.8995 8.9599 9.0168 10.4698 10.4781 10.7632 10.7825 k = 0.3103 0.3103 0.8933 ( 7408 PWs) bands (ev): -20.6798 -20.6798 -20.6791 -20.6791 -7.4193 -7.4164 -7.4116 -7.4076 -5.7119 -5.6893 -5.5685 -5.5553 -5.4194 -5.4140 -5.3890 -5.3794 -4.9348 -4.9312 -4.8790 -4.8622 -3.4117 -3.3988 -3.3906 -3.3866 -2.6522 -2.6397 -2.6324 -2.6237 2.1581 2.1739 2.2717 2.2847 2.6369 2.6630 3.0908 3.1692 3.9736 4.0701 4.1428 4.2084 4.5805 4.6024 4.8515 4.9348 4.9629 5.0632 5.2149 5.3585 5.4463 5.5019 5.5428 5.6160 6.1211 6.3058 6.4368 6.4766 8.3762 8.3985 8.6689 8.6762 8.8863 8.9215 8.9839 9.0421 10.3980 10.4049 10.6812 10.6995 k = 0.2931 0.2931 0.8933 ( 7402 PWs) bands (ev): -20.6799 -20.6799 -20.6791 -20.6791 -7.4197 -7.4168 -7.4112 -7.4070 -5.7206 -5.6977 -5.5627 -5.5494 -5.4160 -5.4083 -5.3877 -5.3764 -4.9340 -4.9308 -4.8756 -4.8582 -3.4239 -3.4101 -3.4016 -3.3980 -2.6473 -2.6343 -2.6280 -2.6181 2.1718 2.1880 2.2971 2.3122 2.5902 2.6175 3.1074 3.1928 3.9340 4.0463 4.1243 4.1854 4.5773 4.5963 4.8353 4.9399 4.9821 5.0790 5.2292 5.3295 5.4862 5.5480 5.5780 5.5828 6.1508 6.3641 6.4795 6.5218 8.3496 8.3681 8.6540 8.6632 8.9085 8.9452 9.0085 9.0676 10.3235 10.3285 10.5991 10.6153 k = 0.2759 0.2759 0.8933 ( 7402 PWs) bands (ev): -20.6799 -20.6799 -20.6790 -20.6790 -7.4202 -7.4172 -7.4107 -7.4064 -5.7292 -5.7064 -5.5568 -5.5436 -5.4122 -5.4019 -5.3864 -5.3733 -4.9331 -4.9302 -4.8725 -4.8547 -3.4365 -3.4220 -3.4132 -3.4102 -2.6416 -2.6282 -2.6234 -2.6124 2.1860 2.2021 2.3204 2.3380 2.5453 2.5735 3.1270 3.2186 3.8986 4.0249 4.1096 4.1658 4.5747 4.5910 4.8125 4.9259 5.0100 5.0939 5.2307 5.2860 5.4970 5.5906 5.5966 5.6374 6.1781 6.4143 6.5199 6.5632 8.3337 8.3486 8.6394 8.6495 8.9321 8.9707 9.0338 9.0935 10.2471 10.2500 10.5184 10.5322 k = 0.2586 0.2586 0.8933 ( 7418 PWs) bands (ev): -20.6800 -20.6800 -20.6790 -20.6790 -7.4206 -7.4176 -7.4102 -7.4058 -5.7375 -5.7151 -5.5509 -5.5378 -5.4083 -5.3953 -5.3850 -5.3699 -4.9319 -4.9295 -4.8697 -4.8518 -3.4492 -3.4342 -3.4253 -3.4230 -2.6354 -2.6218 -2.6185 -2.6065 2.2003 2.2161 2.3406 2.3610 2.5027 2.5316 3.1501 3.2469 3.8679 4.0061 4.0991 4.1498 4.5729 4.5864 4.7844 4.9058 5.0338 5.1065 5.2170 5.2387 5.4892 5.6450 5.6482 5.6964 6.2005 6.4542 6.5579 6.5999 8.3309 8.3427 8.6261 8.6361 8.9569 8.9977 9.0600 9.1198 10.1697 10.1704 10.4400 10.4513 k = 0.2414 0.2414 0.8933 ( 7418 PWs) bands (ev): -20.6800 -20.6800 -20.6789 -20.6789 -7.4211 -7.4181 -7.4097 -7.4053 -5.7456 -5.7237 -5.5450 -5.5320 -5.4043 -5.3895 -5.3825 -5.3662 -4.9306 -4.9285 -4.8673 -4.8495 -3.4619 -3.4465 -3.4379 -3.4362 -2.6287 -2.6157 -2.6127 -2.6005 2.2145 2.2297 2.3569 2.3802 2.4631 2.4921 3.1772 3.2778 3.8421 3.9899 4.0932 4.1374 4.5717 4.5823 4.7524 4.8823 5.0496 5.1114 5.1915 5.1972 5.4928 5.7026 5.7080 5.7537 6.2161 6.4813 6.5946 6.6318 8.3427 8.3518 8.6153 8.6237 8.9829 9.0262 9.0872 9.1469 10.0910 10.0923 10.3645 10.3735 k = 0.2241 0.2241 0.8933 ( 7420 PWs) bands (ev): -20.6801 -20.6801 -20.6789 -20.6789 -7.4215 -7.4186 -7.4091 -7.4048 -5.7532 -5.7322 -5.5391 -5.5264 -5.4005 -5.3866 -5.3769 -5.3620 -4.9292 -4.9273 -4.8652 -4.8480 -3.4745 -3.4589 -3.4507 -3.4496 -2.6218 -2.6106 -2.6053 -2.5942 2.2285 2.2425 2.3685 2.3931 2.4287 2.4556 3.2083 3.3116 3.8211 3.9760 4.0920 4.1286 4.5710 4.5786 4.7176 4.8572 5.0503 5.0941 5.1670 5.1785 5.5069 5.7589 5.7721 5.8052 6.2246 6.4945 6.6311 6.6595 8.3689 8.3766 8.6086 8.6134 9.0098 9.0562 9.1154 9.1747 10.0129 10.0160 10.2923 10.2992 k = 0.2069 0.2069 0.8933 ( 7432 PWs) bands (ev): -20.6801 -20.6801 -20.6788 -20.6788 -7.4219 -7.4191 -7.4086 -7.4043 -5.7605 -5.7405 -5.5333 -5.5209 -5.3970 -5.3854 -5.3696 -5.3574 -4.9275 -4.9259 -4.8637 -4.8470 -3.4868 -3.4712 -3.4636 -3.4631 -2.6149 -2.6060 -2.5973 -2.5876 2.2418 2.2540 2.3743 2.3841 2.4154 2.4235 3.2435 3.3482 3.8047 3.9644 4.0955 4.1233 4.5709 4.5747 4.6818 4.8318 5.0274 5.0562 5.1585 5.1825 5.5252 5.8157 5.8345 5.8465 6.2280 6.4955 6.6670 6.6842 8.4077 8.4164 8.6060 8.6082 9.0374 9.0875 9.1445 9.2034 9.9371 9.9417 10.2237 10.2289 k = 0.1897 0.1897 0.8933 ( 7430 PWs) bands (ev): -20.6802 -20.6802 -20.6788 -20.6788 -7.4223 -7.4196 -7.4080 -7.4039 -5.7673 -5.7485 -5.5277 -5.5156 -5.3939 -5.3847 -5.3618 -5.3523 -4.9258 -4.9243 -4.8625 -4.8468 -3.4987 -3.4832 -3.4764 -3.4763 -2.6083 -2.6016 -2.5889 -2.5808 2.2541 2.2631 2.3584 2.3703 2.4004 2.4191 3.2824 3.3876 3.7924 3.9549 4.1030 4.1214 4.5694 4.5711 4.6471 4.8074 4.9873 5.0141 5.1638 5.1936 5.5420 5.8689 5.8744 5.8939 6.2313 6.4883 6.7009 6.7067 8.4539 8.4694 8.6024 8.6178 9.0654 9.1202 9.1745 9.2330 9.8647 9.8705 10.1591 10.1627 k = 0.1724 0.1724 0.8933 ( 7422 PWs) bands (ev): -20.6802 -20.6802 -20.6787 -20.6787 -7.4226 -7.4201 -7.4075 -7.4035 -5.7735 -5.7561 -5.5223 -5.5106 -5.3912 -5.3841 -5.3541 -5.3469 -4.9238 -4.9226 -4.8618 -4.8472 -3.5100 -3.4949 -3.4892 -3.4890 -2.6022 -2.5974 -2.5804 -2.5738 2.2647 2.2675 2.3371 2.3527 2.3910 2.4210 3.3244 3.4295 3.7834 3.9474 4.1137 4.1223 4.5596 4.5716 4.6180 4.7854 4.9412 4.9742 5.1743 5.2062 5.5531 5.8746 5.9258 5.9492 6.2415 6.4776 6.7272 6.7316 8.4985 8.5320 8.6040 8.6445 9.0939 9.1541 9.2052 9.2633 9.7966 9.8032 10.0988 10.1011 k = 0.1552 0.1552 0.8933 ( 7422 PWs) bands (ev): -20.6803 -20.6803 -20.6787 -20.6787 -7.4230 -7.4206 -7.4069 -7.4032 -5.7792 -5.7632 -5.5171 -5.5059 -5.3889 -5.3836 -5.3466 -5.3413 -4.9218 -4.9206 -4.8616 -4.8481 -3.5207 -3.5059 -3.5015 -3.5012 -2.5966 -2.5935 -2.5720 -2.5666 2.2637 2.2717 2.3260 2.3337 2.3857 2.4195 3.3685 3.4735 3.7770 3.9419 4.1252 4.1260 4.5411 4.5724 4.6005 4.7671 4.8948 4.9387 5.1856 5.2184 5.5558 5.8539 5.9757 5.9995 6.2631 6.4678 6.7455 6.7580 8.5324 8.5874 8.6248 8.6947 9.1226 9.1895 9.2363 9.2942 9.7336 9.7407 10.0430 10.0442 k = 0.1379 0.1379 0.8933 ( 7430 PWs) bands (ev): -20.6803 -20.6803 -20.6786 -20.6786 -7.4233 -7.4211 -7.4064 -7.4029 -5.7843 -5.7698 -5.5121 -5.5017 -5.3870 -5.3832 -5.3394 -5.3357 -4.9196 -4.9185 -4.8618 -4.8497 -3.5305 -3.5163 -3.5129 -3.5128 -2.5917 -2.5898 -2.5639 -2.5595 2.2518 2.2714 2.3222 2.3250 2.3799 2.4149 3.4138 3.5188 3.7725 3.9383 4.1289 4.1375 4.5174 4.5733 4.5932 4.7537 4.8509 4.9085 5.1959 5.2295 5.5485 5.8125 6.0207 6.0441 6.2955 6.4628 6.7610 6.7795 8.5564 8.6042 8.6932 8.7642 9.1515 9.2265 9.2672 9.3254 9.6762 9.6836 9.9921 9.9924 k = 0.1207 0.1207 0.8933 ( 7422 PWs) bands (ev): -20.6804 -20.6804 -20.6786 -20.6786 -7.4235 -7.4216 -7.4058 -7.4027 -5.7887 -5.7759 -5.5075 -5.4979 -5.3853 -5.3827 -5.3328 -5.3303 -4.9172 -4.9163 -4.8624 -4.8516 -3.5394 -3.5258 -3.5235 -3.5234 -2.5875 -2.5865 -2.5562 -2.5526 2.2372 2.2619 2.3211 2.3287 2.3733 2.4079 3.4591 3.5647 3.7693 3.9365 4.1319 4.1452 4.4971 4.5744 4.5904 4.7456 4.8118 4.8844 5.2040 5.2387 5.5315 5.7565 6.0599 6.0822 6.3356 6.4648 6.7730 6.7955 8.5760 8.6149 8.7726 8.8433 9.1809 9.2653 9.2974 9.3566 9.6252 9.6326 9.9458 9.9465 k = 0.1034 0.1034 0.8933 ( 7420 PWs) bands (ev): -20.6804 -20.6804 -20.6786 -20.6786 -7.4237 -7.4220 -7.4053 -7.4026 -5.7925 -5.7814 -5.5033 -5.4947 -5.3840 -5.3823 -5.3268 -5.3252 -4.9148 -4.9140 -4.8633 -4.8540 -3.5473 -3.5346 -3.5333 -3.5328 -2.5839 -2.5835 -2.5491 -2.5462 2.2233 2.2483 2.3255 2.3338 2.3665 2.3994 3.5032 3.6101 3.7674 3.9363 4.1327 4.1459 4.4858 4.5755 4.5895 4.7381 4.7842 4.8671 5.2084 5.2451 5.5068 5.6922 6.0929 6.1135 6.3797 6.4748 6.7811 6.8056 8.5944 8.6263 8.8520 8.9239 9.2115 9.3061 9.3264 9.3875 9.5810 9.5881 9.9050 9.9063 k = 0.0862 0.0862 0.8933 ( 7412 PWs) bands (ev): -20.6804 -20.6804 -20.6785 -20.6785 -7.4239 -7.4224 -7.4048 -7.4025 -5.7956 -5.7862 -5.4996 -5.4920 -5.3828 -5.3818 -5.3215 -5.3206 -4.9123 -4.9117 -4.8644 -4.8566 -3.5539 -3.5427 -3.5414 -3.5409 -2.5809 -2.5808 -2.5427 -2.5404 2.2116 2.2346 2.3312 2.3387 2.3601 2.3900 3.5450 3.6529 3.7674 3.9374 4.1301 4.1377 4.4858 4.5767 4.5893 4.7180 4.7817 4.8570 5.2080 5.2477 5.4783 5.6250 6.1199 6.1379 6.4250 6.4916 6.7851 6.8100 8.6121 8.6381 8.9271 8.9991 9.2444 9.3458 9.3561 9.4175 9.5442 9.5507 9.8700 9.8719 k = 0.0690 0.0690 0.8933 ( 7416 PWs) bands (ev): -20.6805 -20.6805 -20.6785 -20.6785 -7.4240 -7.4228 -7.4044 -7.4025 -5.7979 -5.7904 -5.4962 -5.4900 -5.3819 -5.3814 -5.3171 -5.3166 -4.9099 -4.9094 -4.8656 -4.8593 -3.5593 -3.5502 -3.5479 -3.5476 -2.5786 -2.5785 -2.5373 -2.5355 2.2026 2.2223 2.3365 2.3427 2.3550 2.3806 3.5834 3.6885 3.7729 3.9388 4.1219 4.1235 4.4964 4.5780 4.5892 4.6901 4.7987 4.8544 5.2014 5.2448 5.4508 5.5602 6.1413 6.1562 6.4690 6.5131 6.7852 6.8089 8.6288 8.6494 8.9943 9.0622 9.2807 9.3705 9.3986 9.4460 9.5154 9.5213 9.8412 9.8434 k = 0.0517 0.0517 0.8933 ( 7416 PWs) bands (ev): -20.6805 -20.6805 -20.6785 -20.6785 -7.4240 -7.4231 -7.4040 -7.4025 -5.7996 -5.7939 -5.4934 -5.4886 -5.3813 -5.3810 -5.3136 -5.3134 -4.9077 -4.9073 -4.8667 -4.8620 -3.5634 -3.5565 -3.5529 -3.5529 -2.5769 -2.5766 -2.5329 -2.5316 2.1962 2.2119 2.3405 2.3456 2.3520 2.3719 3.6175 3.7084 3.7914 3.9384 4.1029 4.1135 4.5143 4.5793 4.5890 4.6623 4.8246 4.8590 5.1889 5.2344 5.4291 5.5033 6.1575 6.1689 6.5090 6.5360 6.7825 6.8031 8.6436 8.6590 9.0507 9.1078 9.3187 9.3856 9.4443 9.4706 9.4956 9.5029 9.8188 9.8209 k = 0.0345 0.0345 0.8933 ( 7424 PWs) bands (ev): -20.6805 -20.6805 -20.6785 -20.6785 -7.4240 -7.4234 -7.4036 -7.4026 -5.8005 -5.7966 -5.4911 -5.4879 -5.3808 -5.3807 -5.3111 -5.3110 -4.9058 -4.9056 -4.8676 -4.8644 -3.5660 -3.5614 -3.5567 -3.5566 -2.5756 -2.5754 -2.5296 -2.5287 2.1926 2.2034 2.3426 2.3471 2.3517 2.3645 3.6469 3.7110 3.8229 3.9324 4.0865 4.1014 4.5360 4.5806 4.5886 4.6360 4.8524 4.8688 5.1746 5.2155 5.4157 5.4595 6.1692 6.1768 6.5422 6.5568 6.7786 6.7943 8.6557 8.6660 9.0945 9.1351 9.3521 9.3925 9.4775 9.4798 9.4910 9.5092 9.8029 9.8046 k = 0.0172 0.0172 0.8933 ( 7420 PWs) bands (ev): -20.6805 -20.6805 -20.6784 -20.6784 -7.4239 -7.4236 -7.4033 -7.4028 -5.8006 -5.7987 -5.4894 -5.4877 -5.3806 -5.3805 -5.3096 -5.3095 -4.9046 -4.9045 -4.8679 -4.8663 -3.5671 -3.5648 -3.5590 -3.5589 -2.5748 -2.5746 -2.5275 -2.5271 2.1917 2.1972 2.3438 2.3468 2.3534 2.3592 3.6711 3.7036 3.8582 3.9169 4.0786 4.0894 4.5588 4.5814 4.5884 4.6116 4.8744 4.8794 5.1665 5.1918 5.4113 5.4309 6.1768 6.1806 6.5652 6.5713 6.7762 6.7849 8.6643 8.6695 9.1251 9.1460 9.3746 9.3922 9.4754 9.4781 9.5191 9.5266 9.7935 9.7945 k = 0.0000 0.0000 0.8933 ( 7424 PWs) bands (ev): -20.6805 -20.6805 -20.6784 -20.6784 -7.4238 -7.4238 -7.4030 -7.4030 -5.8000 -5.8000 -5.4883 -5.4883 -5.3805 -5.3805 -5.3090 -5.3090 -4.9041 -4.9041 -4.8675 -4.8675 -3.5667 -3.5667 -3.5597 -3.5597 -2.5744 -2.5744 -2.5267 -2.5267 2.1932 2.1932 2.3454 2.3454 2.3558 2.3558 3.6900 3.6900 3.8911 3.8911 4.0805 4.0805 4.5776 4.5776 4.5924 4.5924 4.8835 4.8835 5.1723 5.1723 5.4158 5.4158 6.1805 6.1805 6.5750 6.5750 6.7781 6.7781 8.6690 8.6690 9.1424 9.1424 9.3866 9.3866 9.4760 9.4760 9.5324 9.5324 9.7907 9.7907 k = 0.0000 0.5000-0.0000 ( 7434 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3783 -7.3783 -7.3745 -7.3745 -5.8583 -5.8583 -5.8545 -5.8545 -5.3820 -5.3820 -5.3598 -5.3598 -5.0464 -5.0464 -5.0308 -5.0308 -3.5913 -3.5913 -3.5815 -3.5815 -2.1159 -2.1159 -2.1108 -2.1108 3.1034 3.1034 3.1192 3.1192 3.3270 3.3270 3.3707 3.3707 4.3692 4.3692 4.5224 4.5224 4.7573 4.7573 4.8494 4.8494 5.5680 5.5680 5.8114 5.8114 6.1226 6.1226 6.1821 6.1821 6.6288 6.6288 6.6552 6.6552 8.0899 8.0899 8.1052 8.1052 8.3332 8.3332 8.5487 8.5487 9.4427 9.4427 9.4749 9.4749 k = 0.0000 0.5000 0.0248 ( 7426 PWs) bands (ev): -20.6962 -20.6962 -20.6962 -20.6962 -7.3783 -7.3783 -7.3745 -7.3745 -5.8580 -5.8580 -5.8537 -5.8537 -5.3823 -5.3823 -5.3599 -5.3599 -5.0464 -5.0464 -5.0306 -5.0306 -3.5917 -3.5917 -3.5804 -3.5804 -2.1168 -2.1168 -2.1113 -2.1113 3.0994 3.0994 3.1172 3.1172 3.3265 3.3265 3.3706 3.3706 4.3688 4.3688 4.5222 4.5222 4.7567 4.7567 4.8498 4.8498 5.5676 5.5676 5.8087 5.8087 6.1182 6.1182 6.1776 6.1776 6.6304 6.6304 6.6564 6.6564 8.0907 8.0907 8.1147 8.1147 8.3361 8.3361 8.5519 8.5519 9.4431 9.4431 9.4750 9.4750 k = 0.0000 0.5000 0.0496 ( 7420 PWs) bands (ev): -20.6961 -20.6961 -20.6961 -20.6961 -7.3785 -7.3785 -7.3747 -7.3747 -5.8571 -5.8571 -5.8514 -5.8514 -5.3834 -5.3834 -5.3603 -5.3603 -5.0463 -5.0463 -5.0299 -5.0299 -3.5924 -3.5924 -3.5778 -3.5778 -2.1193 -2.1193 -2.1128 -2.1128 3.0880 3.0880 3.1106 3.1106 3.3250 3.3250 3.3703 3.3703 4.3676 4.3676 4.5212 4.5212 4.7550 4.7550 4.8507 4.8507 5.5663 5.5663 5.8010 5.8010 6.1057 6.1057 6.1646 6.1646 6.6349 6.6349 6.6595 6.6595 8.0981 8.0981 8.1379 8.1379 8.3448 8.3448 8.5614 8.5614 9.4445 9.4445 9.4753 9.4753 k = 0.0000 0.5000 0.0744 ( 7412 PWs) bands (ev): -20.6960 -20.6960 -20.6960 -20.6960 -7.3787 -7.3787 -7.3748 -7.3748 -5.8553 -5.8553 -5.8479 -5.8479 -5.3851 -5.3851 -5.3610 -5.3610 -5.0462 -5.0462 -5.0288 -5.0288 -3.5928 -3.5928 -3.5740 -3.5740 -2.1234 -2.1234 -2.1156 -2.1156 3.0705 3.0705 3.0988 3.0988 3.3225 3.3225 3.3698 3.3698 4.3658 4.3658 4.5191 4.5191 4.7526 4.7526 4.8523 4.8523 5.5637 5.5637 5.7882 5.7882 6.0860 6.0860 6.1441 6.1441 6.6423 6.6423 6.6639 6.6639 8.1141 8.1141 8.1711 8.1711 8.3595 8.3595 8.5768 8.5768 9.4470 9.4470 9.4761 9.4761 k = 0.0000 0.5000 0.0993 ( 7428 PWs) bands (ev): -20.6958 -20.6958 -20.6958 -20.6958 -7.3790 -7.3790 -7.3751 -7.3751 -5.8526 -5.8526 -5.8433 -5.8433 -5.3875 -5.3875 -5.3621 -5.3621 -5.0460 -5.0460 -5.0273 -5.0273 -3.5928 -3.5928 -3.5695 -3.5695 -2.1290 -2.1290 -2.1196 -2.1196 3.0477 3.0477 3.0818 3.0818 3.3189 3.3189 3.3687 3.3687 4.3634 4.3634 4.5152 4.5152 4.7501 4.7501 4.8542 4.8542 5.5594 5.5594 5.7709 5.7709 6.0605 6.0605 6.1175 6.1175 6.6518 6.6518 6.6689 6.6689 8.1379 8.1379 8.2125 8.2125 8.3804 8.3804 8.5974 8.5974 9.4510 9.4510 9.4777 9.4777 k = 0.0000 0.5000 0.1241 ( 7422 PWs) bands (ev): -20.6955 -20.6955 -20.6955 -20.6955 -7.3794 -7.3794 -7.3754 -7.3754 -5.8489 -5.8489 -5.8377 -5.8377 -5.3905 -5.3905 -5.3634 -5.3634 -5.0456 -5.0456 -5.0254 -5.0254 -3.5922 -3.5922 -3.5644 -3.5644 -2.1360 -2.1360 -2.1250 -2.1250 3.0204 3.0204 3.0600 3.0600 3.3139 3.3139 3.3669 3.3669 4.3606 4.3606 4.5089 4.5089 4.7478 4.7478 4.8565 4.8565 5.5525 5.5525 5.7497 5.7497 6.0306 6.0306 6.0868 6.0868 6.6608 6.6608 6.6761 6.6761 8.1679 8.1679 8.2605 8.2605 8.4076 8.4076 8.6225 8.6225 9.4567 9.4567 9.4806 9.4806 k = 0.0000 0.5000 0.1489 ( 7402 PWs) bands (ev): -20.6951 -20.6951 -20.6951 -20.6951 -7.3799 -7.3799 -7.3758 -7.3758 -5.8442 -5.8442 -5.8311 -5.8311 -5.3940 -5.3940 -5.3651 -5.3651 -5.0449 -5.0449 -5.0232 -5.0232 -3.5909 -3.5909 -3.5587 -3.5587 -2.1443 -2.1443 -2.1317 -2.1317 2.9895 2.9895 3.0338 3.0338 3.3075 3.3075 3.3641 3.3641 4.3575 4.3575 4.4997 4.4997 4.7464 4.7464 4.8589 4.8589 5.5426 5.5426 5.7257 5.7257 5.9968 5.9968 6.0537 6.0537 6.6655 6.6655 6.6884 6.6884 8.2021 8.2021 8.3132 8.3132 8.4412 8.4412 8.6513 8.6513 9.4647 9.4647 9.4854 9.4854 k = 0.0000 0.5000 0.1737 ( 7396 PWs) bands (ev): -20.6948 -20.6948 -20.6948 -20.6948 -7.3805 -7.3805 -7.3763 -7.3763 -5.8386 -5.8386 -5.8236 -5.8236 -5.3980 -5.3980 -5.3672 -5.3672 -5.0438 -5.0438 -5.0206 -5.0206 -3.5889 -3.5889 -3.5526 -3.5526 -2.1540 -2.1540 -2.1399 -2.1399 2.9556 2.9556 3.0039 3.0039 3.2995 3.2995 3.3600 3.3600 4.3539 4.3539 4.4875 4.4875 4.7459 4.7459 4.8613 4.8613 5.5292 5.5292 5.6999 5.6999 5.9593 5.9593 6.0200 6.0200 6.6667 6.6667 6.7046 6.7046 8.2386 8.2386 8.3684 8.3684 8.4810 8.4810 8.6827 8.6827 9.4757 9.4757 9.4929 9.4929 k = 0.0000 0.5000 0.1985 ( 7402 PWs) bands (ev): -20.6943 -20.6943 -20.6943 -20.6943 -7.3812 -7.3812 -7.3769 -7.3769 -5.8321 -5.8321 -5.8152 -5.8152 -5.4024 -5.4024 -5.3696 -5.3696 -5.0424 -5.0424 -5.0176 -5.0176 -3.5863 -3.5863 -3.5461 -3.5461 -2.1650 -2.1650 -2.1496 -2.1496 2.9194 2.9194 2.9711 2.9711 3.2896 3.2896 3.3543 3.3543 4.3497 4.3497 4.4724 4.4724 4.7464 4.7464 4.8636 4.8636 5.5117 5.5117 5.6737 5.6737 5.9184 5.9184 5.9874 5.9874 6.6661 6.6661 6.7225 6.7225 8.2755 8.2755 8.4242 8.4242 8.5261 8.5261 8.7158 8.7158 9.4900 9.4900 9.5038 9.5038 k = 0.0000 0.5000 0.2233 ( 7410 PWs) bands (ev): -20.6938 -20.6938 -20.6938 -20.6938 -7.3820 -7.3820 -7.3776 -7.3776 -5.8248 -5.8248 -5.8061 -5.8061 -5.4071 -5.4071 -5.3723 -5.3723 -5.0405 -5.0405 -5.0142 -5.0142 -3.5831 -3.5831 -3.5393 -3.5393 -2.1774 -2.1774 -2.1607 -2.1607 2.8816 2.8816 2.9360 2.9360 3.2777 3.2777 3.3467 3.3467 4.3448 4.3448 4.4553 4.4553 4.7478 4.7478 4.8656 4.8656 5.4903 5.4903 5.6481 5.6481 5.8745 5.8745 5.9567 5.9567 6.6643 6.6643 6.7409 6.7409 8.3116 8.3116 8.4788 8.4788 8.5750 8.5750 8.7496 8.7496 9.5083 9.5083 9.5192 9.5192 k = 0.0000 0.5000 0.2482 ( 7398 PWs) bands (ev): -20.6933 -20.6933 -20.6933 -20.6933 -7.3828 -7.3828 -7.3783 -7.3783 -5.8167 -5.8167 -5.7962 -5.7962 -5.4120 -5.4120 -5.3752 -5.3752 -5.0382 -5.0382 -5.0105 -5.0105 -3.5793 -3.5793 -3.5323 -3.5323 -2.1910 -2.1910 -2.1732 -2.1732 2.8429 2.8429 2.8993 2.8993 3.2637 3.2637 3.3370 3.3370 4.3388 4.3388 4.4369 4.4369 4.7496 4.7496 4.8671 4.8671 5.4651 5.4651 5.6241 5.6241 5.8284 5.8284 5.9282 5.9282 6.6618 6.6618 6.7587 6.7587 8.3459 8.3459 8.5306 8.5306 8.6255 8.6255 8.7832 8.7832 9.5309 9.5309 9.5404 9.5404 k = 0.0000 0.5000 0.2730 ( 7406 PWs) bands (ev): -20.6927 -20.6927 -20.6927 -20.6927 -7.3838 -7.3838 -7.3792 -7.3792 -5.8079 -5.8079 -5.7858 -5.7858 -5.4171 -5.4171 -5.3785 -5.3785 -5.0354 -5.0354 -5.0064 -5.0064 -3.5749 -3.5749 -3.5250 -3.5250 -2.2060 -2.2060 -2.1871 -2.1871 2.8038 2.8038 2.8618 2.8618 3.2474 3.2474 3.3249 3.3249 4.3310 4.3310 4.4187 4.4187 4.7515 4.7515 4.8681 4.8681 5.4364 5.4364 5.6021 5.6021 5.7817 5.7817 5.9022 5.9022 6.6585 6.6585 6.7752 6.7752 8.3779 8.3779 8.5782 8.5782 8.6749 8.6749 8.8157 8.8157 9.5583 9.5583 9.5684 9.5684 k = 0.0000 0.5000 0.2978 ( 7414 PWs) bands (ev): -20.6921 -20.6921 -20.6921 -20.6921 -7.3849 -7.3849 -7.3802 -7.3802 -5.7985 -5.7985 -5.7748 -5.7748 -5.4222 -5.4222 -5.3819 -5.3819 -5.0321 -5.0321 -5.0018 -5.0018 -3.5699 -3.5699 -3.5177 -3.5177 -2.2222 -2.2222 -2.2025 -2.2025 2.7649 2.7649 2.8239 2.8239 3.2288 3.2288 3.3100 3.3100 4.3206 4.3206 4.4020 4.4020 4.7531 4.7531 4.8682 4.8682 5.4047 5.4047 5.5821 5.5821 5.7355 5.7355 5.8788 5.8788 6.6544 6.6544 6.7895 6.7895 8.4072 8.4072 8.6201 8.6201 8.7212 8.7212 8.8463 8.8463 9.5914 9.5914 9.6033 9.6033 k = 0.0000 0.5000 0.3226 ( 7396 PWs) bands (ev): -20.6914 -20.6914 -20.6914 -20.6914 -7.3861 -7.3861 -7.3813 -7.3813 -5.7886 -5.7886 -5.7635 -5.7635 -5.4273 -5.4273 -5.3854 -5.3854 -5.0283 -5.0283 -4.9969 -4.9969 -3.5645 -3.5645 -3.5102 -3.5102 -2.2396 -2.2396 -2.2192 -2.2192 2.7266 2.7266 2.7863 2.7863 3.2079 3.2079 3.2924 3.2924 4.3070 4.3070 4.3882 4.3882 4.7540 4.7540 4.8672 4.8672 5.3706 5.3706 5.5636 5.5636 5.6918 5.6918 5.8585 5.8585 6.6493 6.6493 6.8010 6.8010 8.4335 8.4335 8.6546 8.6546 8.7633 8.7633 8.8742 8.8742 9.6310 9.6310 9.6448 9.6448 k = 0.0000 0.5000 0.3474 ( 7402 PWs) bands (ev): -20.6908 -20.6908 -20.6908 -20.6908 -7.3874 -7.3874 -7.3824 -7.3824 -5.7783 -5.7783 -5.7519 -5.7519 -5.4321 -5.4321 -5.3889 -5.3889 -5.0240 -5.0240 -4.9916 -4.9916 -3.5587 -3.5587 -3.5028 -3.5028 -2.2581 -2.2581 -2.2372 -2.2372 2.6894 2.6894 2.7494 2.7494 3.1847 3.1847 3.2720 3.2720 4.2903 4.2903 4.3775 4.3775 4.7540 4.7540 4.8650 4.8650 5.3345 5.3345 5.5455 5.5455 5.6527 5.6527 5.8415 5.8415 6.6431 6.6431 6.8089 6.8089 8.4568 8.4568 8.6799 8.6799 8.8010 8.8010 8.8986 8.8986 9.6776 9.6776 9.6925 9.6925 k = 0.0000 0.5000 0.3722 ( 7422 PWs) bands (ev): -20.6901 -20.6901 -20.6901 -20.6901 -7.3888 -7.3888 -7.3837 -7.3837 -5.7677 -5.7677 -5.7402 -5.7402 -5.4367 -5.4367 -5.3923 -5.3923 -5.0192 -5.0192 -4.9859 -4.9859 -3.5524 -3.5524 -3.4954 -3.4954 -2.2777 -2.2777 -2.2564 -2.2564 2.6535 2.6535 2.7135 2.7135 3.1595 3.1595 3.2488 3.2488 4.2713 4.2713 4.3694 4.3694 4.7526 4.7526 4.8614 4.8614 5.2972 5.2972 5.5253 5.5253 5.6214 5.6214 5.8285 5.8285 6.6354 6.6354 6.8130 6.8130 8.4768 8.4768 8.6951 8.6951 8.8348 8.8348 8.9187 8.9187 9.7307 9.7307 9.7456 9.7456 k = 0.0000 0.5000 0.3970 ( 7418 PWs) bands (ev): -20.6893 -20.6893 -20.6893 -20.6893 -7.3902 -7.3902 -7.3851 -7.3851 -5.7570 -5.7570 -5.7286 -5.7286 -5.4407 -5.4407 -5.3955 -5.3955 -5.0139 -5.0139 -4.9799 -4.9799 -3.5459 -3.5459 -3.4880 -3.4880 -2.2982 -2.2982 -2.2767 -2.2767 2.6193 2.6193 2.6790 2.6790 3.1324 3.1324 3.2230 3.2230 4.2509 4.2509 4.3628 4.3628 4.7495 4.7495 4.8563 4.8563 5.2596 5.2596 5.5010 5.5010 5.6006 5.6006 5.8195 5.8195 6.6260 6.6260 6.8129 6.8129 8.4934 8.4934 8.7002 8.7002 8.8650 8.8650 8.9342 8.9342 9.7894 9.7894 9.8033 9.8033 k = 0.0000 0.5000 0.4219 ( 7414 PWs) bands (ev): -20.6886 -20.6886 -20.6886 -20.6886 -7.3918 -7.3918 -7.3866 -7.3866 -5.7463 -5.7463 -5.7172 -5.7172 -5.4442 -5.4442 -5.3985 -5.3985 -5.0082 -5.0082 -4.9735 -4.9735 -3.5390 -3.5390 -3.4809 -3.4809 -2.3196 -2.3196 -2.2981 -2.2981 2.5869 2.5869 2.6461 2.6461 3.1039 3.1039 3.1949 3.1949 4.2298 4.2298 4.3570 4.3570 4.7444 4.7444 4.8498 4.8498 5.2230 5.2230 5.4728 5.4728 5.5903 5.5903 5.8147 5.8147 6.6148 6.6148 6.8086 6.8086 8.5063 8.5063 8.6961 8.6961 8.8913 8.8913 8.9452 8.9452 9.8521 9.8521 9.8645 9.8645 k = 0.0000 0.5000 0.4467 ( 7410 PWs) bands (ev): -20.6879 -20.6879 -20.6879 -20.6879 -7.3934 -7.3934 -7.3881 -7.3881 -5.7358 -5.7358 -5.7062 -5.7062 -5.4468 -5.4468 -5.4010 -5.4010 -5.0020 -5.0020 -4.9669 -4.9669 -3.5320 -3.5320 -3.4739 -3.4739 -2.3417 -2.3417 -2.3203 -2.3203 2.5567 2.5567 2.6150 2.6150 3.0743 3.0743 3.1650 3.1650 4.2083 4.2083 4.3509 4.3509 4.7369 4.7369 4.8418 4.8418 5.1888 5.1888 5.4432 5.4432 5.5881 5.5881 5.8141 5.8141 6.6016 6.6016 6.8001 6.8001 8.5156 8.5156 8.6842 8.6842 8.9128 8.9128 8.9530 8.9530 9.9166 9.9166 9.9282 9.9282 k = 0.0000 0.5000 0.4715 ( 7416 PWs) bands (ev): -20.6872 -20.6872 -20.6872 -20.6872 -7.3951 -7.3951 -7.3897 -7.3897 -5.7256 -5.7256 -5.6958 -5.6958 -5.4486 -5.4486 -5.4031 -5.4031 -4.9955 -4.9955 -4.9601 -4.9601 -3.5248 -3.5248 -3.4671 -3.4671 -2.3644 -2.3644 -2.3433 -2.3433 2.5286 2.5286 2.5859 2.5859 3.0440 3.0440 3.1337 3.1337 4.1865 4.1865 4.3439 4.3439 4.7267 4.7267 4.8327 4.8327 5.1584 5.1584 5.4146 5.4146 5.5917 5.5917 5.8173 5.8173 6.5865 6.5865 6.7875 6.7875 8.5208 8.5208 8.6660 8.6660 8.9273 8.9273 8.9601 8.9601 9.9804 9.9804 9.9930 9.9930 k = 0.0000 0.5000 0.4963 ( 7396 PWs) bands (ev): -20.6864 -20.6864 -20.6864 -20.6864 -7.3968 -7.3968 -7.3914 -7.3914 -5.7159 -5.7159 -5.6862 -5.6862 -5.4494 -5.4494 -5.4045 -5.4045 -4.9885 -4.9885 -4.9531 -4.9531 -3.5174 -3.5174 -3.4607 -3.4607 -2.3875 -2.3875 -2.3668 -2.3668 2.5027 2.5027 2.5586 2.5586 3.0136 3.0136 3.1016 3.1016 4.1643 4.1643 4.3351 4.3351 4.7139 4.7139 4.8228 4.8228 5.1329 5.1329 5.3881 5.3881 5.5996 5.5996 5.8241 5.8241 6.5694 6.5694 6.7713 6.7713 8.5218 8.5218 8.6429 8.6429 8.9327 8.9327 8.9693 8.9693 10.0414 10.0414 10.0567 10.0567 k = 0.0000 0.5000 0.5211 ( 7404 PWs) bands (ev): -20.6857 -20.6857 -20.6857 -20.6857 -7.3985 -7.3985 -7.3931 -7.3931 -5.7068 -5.7068 -5.6774 -5.6774 -5.4491 -5.4491 -5.4053 -5.4053 -4.9813 -4.9813 -4.9460 -4.9460 -3.5100 -3.5100 -3.4546 -3.4546 -2.4109 -2.4109 -2.3907 -2.3907 2.4791 2.4791 2.5333 2.5333 2.9834 2.9834 3.0692 3.0692 4.1416 4.1416 4.3238 4.3238 4.6989 4.6989 4.8124 4.8124 5.1130 5.1130 5.3646 5.3646 5.6109 5.6109 5.8341 5.8341 6.5505 6.5505 6.7518 6.7518 8.5183 8.5183 8.6163 8.6163 8.9312 8.9312 8.9793 8.9793 10.0980 10.0980 10.1167 10.1167 k = 0.0000 0.5000 0.5459 ( 7396 PWs) bands (ev): -20.6850 -20.6850 -20.6850 -20.6850 -7.4003 -7.4003 -7.3948 -7.3948 -5.6985 -5.6985 -5.6697 -5.6697 -5.4476 -5.4476 -5.4054 -5.4054 -4.9739 -4.9739 -4.9389 -4.9389 -3.5027 -3.5027 -3.4489 -3.4489 -2.4342 -2.4342 -2.4148 -2.4148 2.4577 2.4577 2.5100 2.5100 2.9540 2.9540 3.0372 3.0372 4.1183 4.1183 4.3093 4.3093 4.6826 4.6826 4.8020 4.8020 5.0989 5.0989 5.3443 5.3443 5.6248 5.6248 5.8467 5.8467 6.5301 6.5301 6.7295 6.7295 8.5099 8.5099 8.5875 8.5875 8.9262 8.9262 8.9876 8.9876 10.1490 10.1490 10.1706 10.1706 k = 0.0000 0.5000 0.5707 ( 7392 PWs) bands (ev): -20.6843 -20.6843 -20.6843 -20.6843 -7.4020 -7.4020 -7.3965 -7.3965 -5.6910 -5.6910 -5.6630 -5.6630 -5.4450 -5.4450 -5.4048 -5.4048 -4.9662 -4.9662 -4.9318 -4.9318 -3.4954 -3.4954 -3.4435 -3.4435 -2.4574 -2.4574 -2.4388 -2.4388 2.4385 2.4385 2.4884 2.4884 2.9257 2.9257 3.0060 3.0060 4.0945 4.0945 4.2910 4.2910 4.6663 4.6663 4.7916 4.7916 5.0904 5.0904 5.3275 5.3275 5.6407 5.6407 5.8615 5.8615 6.5084 6.5084 6.7049 6.7049 8.4965 8.4965 8.5580 8.5580 8.9196 8.9196 8.9933 8.9933 10.1937 10.1937 10.2172 10.2172 k = 0.0000 0.5000 0.5956 ( 7408 PWs) bands (ev): -20.6837 -20.6837 -20.6837 -20.6837 -7.4037 -7.4037 -7.3983 -7.3983 -5.6845 -5.6845 -5.6574 -5.6574 -5.4414 -5.4414 -5.4035 -5.4035 -4.9584 -4.9584 -4.9248 -4.9248 -3.4882 -3.4882 -3.4386 -3.4386 -2.4802 -2.4802 -2.4624 -2.4624 2.4213 2.4213 2.4685 2.4685 2.8990 2.8990 2.9763 2.9763 4.0702 4.0702 4.2691 4.2691 4.6510 4.6510 4.7815 4.7815 5.0868 5.0868 5.3140 5.3140 5.6581 5.6581 5.8781 5.8781 6.4856 6.4856 6.6786 6.6786 8.4778 8.4778 8.5290 8.5290 8.9125 8.9125 8.9960 8.9960 10.2323 10.2323 10.2568 10.2568 k = 0.0000 0.5000 0.6204 ( 7404 PWs) bands (ev): -20.6831 -20.6831 -20.6831 -20.6831 -7.4054 -7.4054 -7.4000 -7.4000 -5.6790 -5.6790 -5.6527 -5.6527 -5.4369 -5.4369 -5.4016 -5.4016 -4.9506 -4.9506 -4.9181 -4.9181 -3.4811 -3.4811 -3.4342 -3.4342 -2.5023 -2.5023 -2.4856 -2.4856 2.4060 2.4060 2.4502 2.4502 2.8742 2.8742 2.9484 2.9484 4.0457 4.0457 4.2436 4.2436 4.6375 4.6375 4.7716 4.7716 5.0875 5.0875 5.3036 5.3036 5.6765 5.6765 5.8959 5.8959 6.4622 6.4622 6.6512 6.6512 8.4544 8.4544 8.5011 8.5011 8.9055 8.9055 8.9959 8.9959 10.2659 10.2659 10.2907 10.2907 k = 0.0000 0.5000 0.6452 ( 7412 PWs) bands (ev): -20.6825 -20.6825 -20.6825 -20.6825 -7.4070 -7.4070 -7.4016 -7.4016 -5.6745 -5.6745 -5.6489 -5.6489 -5.4316 -5.4316 -5.3991 -5.3991 -4.9429 -4.9429 -4.9116 -4.9116 -3.4743 -3.4743 -3.4303 -3.4303 -2.5235 -2.5235 -2.5079 -2.5079 2.3925 2.3925 2.4334 2.4334 2.8515 2.8515 2.9227 2.9227 4.0212 4.0212 4.2155 4.2155 4.6262 4.6262 4.7620 4.7620 5.0917 5.0917 5.2962 5.2962 5.6954 5.6954 5.9145 5.9145 6.4385 6.4385 6.6233 6.6233 8.4279 8.4279 8.4742 8.4742 8.8993 8.8993 8.9933 8.9933 10.2959 10.2959 10.3205 10.3205 k = 0.0000 0.5000 0.6700 ( 7406 PWs) bands (ev): -20.6819 -20.6819 -20.6819 -20.6819 -7.4086 -7.4086 -7.4032 -7.4032 -5.6708 -5.6708 -5.6459 -5.6459 -5.4259 -5.4259 -5.3964 -5.3964 -4.9353 -4.9353 -4.9055 -4.9055 -3.4678 -3.4678 -3.4270 -3.4270 -2.5435 -2.5435 -2.5292 -2.5292 2.3807 2.3807 2.4180 2.4180 2.8310 2.8310 2.8996 2.8996 3.9971 3.9971 4.1857 4.1857 4.6170 4.6170 4.7530 4.7530 5.0988 5.0988 5.2912 5.2912 5.7145 5.7145 5.9332 5.9332 6.4150 6.4150 6.5954 6.5954 8.4002 8.4002 8.4477 8.4477 8.8941 8.8941 8.9885 8.9885 10.3233 10.3233 10.3474 10.3474 k = 0.0000 0.5000 0.6948 ( 7408 PWs) bands (ev): -20.6814 -20.6814 -20.6814 -20.6814 -7.4100 -7.4100 -7.4046 -7.4046 -5.6680 -5.6680 -5.6436 -5.6436 -5.4199 -5.4199 -5.3934 -5.3934 -4.9279 -4.9279 -4.8999 -4.8999 -3.4616 -3.4616 -3.4241 -3.4241 -2.5622 -2.5622 -2.5491 -2.5491 2.3704 2.3704 2.4039 2.4039 2.8130 2.8130 2.8792 2.8792 3.9740 3.9740 4.1554 4.1554 4.6098 4.6098 4.7444 4.7444 5.1080 5.1080 5.2882 5.2882 5.7333 5.7333 5.9517 5.9517 6.3920 6.3920 6.5681 6.5681 8.3731 8.3731 8.4213 8.4213 8.8899 8.8899 8.9819 8.9819 10.3488 10.3488 10.3722 10.3722 k = 0.0000 0.5000 0.7196 ( 7420 PWs) bands (ev): -20.6810 -20.6810 -20.6810 -20.6810 -7.4113 -7.4113 -7.4060 -7.4060 -5.6658 -5.6658 -5.6418 -5.6418 -5.4138 -5.4138 -5.3905 -5.3905 -4.9209 -4.9209 -4.8948 -4.8948 -3.4557 -3.4557 -3.4219 -3.4219 -2.5792 -2.5792 -2.5675 -2.5675 2.3615 2.3615 2.3912 2.3912 2.7973 2.7973 2.8617 2.8617 3.9522 3.9522 4.1257 4.1257 4.6041 4.6041 4.7366 4.7366 5.1185 5.1185 5.2868 5.2868 5.7515 5.7515 5.9693 5.9693 6.3702 6.3702 6.5421 6.5421 8.3477 8.3477 8.3953 8.3953 8.8871 8.8871 8.9740 8.9740 10.3729 10.3729 10.3954 10.3954 k = 0.0000 0.5000 0.7445 ( 7440 PWs) bands (ev): -20.6806 -20.6806 -20.6806 -20.6806 -7.4125 -7.4125 -7.4072 -7.4072 -5.6643 -5.6643 -5.6404 -5.6404 -5.4079 -5.4079 -5.3877 -5.3877 -4.9144 -4.9144 -4.8904 -4.8904 -3.4503 -3.4503 -3.4201 -3.4201 -2.5943 -2.5943 -2.5842 -2.5842 2.3539 2.3539 2.3799 2.3799 2.7840 2.7840 2.8471 2.8471 3.9321 3.9321 4.0977 4.0977 4.5997 4.5997 4.7296 4.7296 5.1298 5.1298 5.2863 5.2863 5.7685 5.7685 5.9857 5.9857 6.3499 6.3499 6.5179 6.5179 8.3250 8.3250 8.3704 8.3704 8.8854 8.8854 8.9652 8.9652 10.3953 10.3953 10.4168 10.4168 k = 0.0000 0.5000 0.7693 ( 7428 PWs) bands (ev): -20.6803 -20.6803 -20.6803 -20.6803 -7.4135 -7.4135 -7.4082 -7.4082 -5.6632 -5.6632 -5.6394 -5.6394 -5.4022 -5.4022 -5.3853 -5.3853 -4.9085 -4.9085 -4.8866 -4.8866 -3.4453 -3.4453 -3.4189 -3.4189 -2.6074 -2.6074 -2.5988 -2.5988 2.3476 2.3476 2.3699 2.3699 2.7729 2.7729 2.8353 2.8353 3.9144 3.9144 4.0722 4.0722 4.5964 4.5964 4.7234 4.7234 5.1411 5.1411 5.2865 5.2865 5.7841 5.7841 6.0002 6.0002 6.3318 6.3318 6.4961 6.4961 8.3055 8.3055 8.3470 8.3470 8.8850 8.8850 8.9560 8.9560 10.4156 10.4156 10.4362 10.4362 k = 0.0000 0.5000 0.7941 ( 7424 PWs) bands (ev): -20.6800 -20.6800 -20.6800 -20.6800 -7.4143 -7.4143 -7.4091 -7.4091 -5.6624 -5.6624 -5.6387 -5.6387 -5.3971 -5.3971 -5.3835 -5.3835 -4.9034 -4.9034 -4.8836 -4.8836 -3.4409 -3.4409 -3.4183 -3.4183 -2.6182 -2.6182 -2.6112 -2.6112 2.3426 2.3426 2.3615 2.3615 2.7641 2.7641 2.8261 2.8261 3.8993 3.8993 4.0502 4.0502 4.5939 4.5939 4.7182 4.7182 5.1517 5.1517 5.2870 5.2870 5.7977 5.7977 6.0125 6.0125 6.3163 6.3163 6.4772 6.4772 8.2898 8.2898 8.3260 8.3260 8.8857 8.8857 8.9468 8.9468 10.4335 10.4335 10.4532 10.4532 k = 0.0000 0.5000 0.8189 ( 7408 PWs) bands (ev): -20.6798 -20.6798 -20.6798 -20.6798 -7.4150 -7.4150 -7.4098 -7.4098 -5.6619 -5.6619 -5.6382 -5.6382 -5.3926 -5.3926 -5.3823 -5.3823 -4.8991 -4.8991 -4.8814 -4.8814 -3.4372 -3.4372 -3.4181 -3.4181 -2.6266 -2.6266 -2.6212 -2.6212 2.3388 2.3388 2.3547 2.3547 2.7573 2.7573 2.8192 2.8192 3.8873 3.8873 4.0323 4.0323 4.5920 4.5920 4.7141 4.7141 5.1610 5.1610 5.2874 5.2874 5.8090 5.8090 6.0222 6.0222 6.3040 6.3040 6.4617 6.4617 8.2781 8.2781 8.3081 8.3081 8.8875 8.8875 8.9381 8.9381 10.4483 10.4483 10.4672 10.4672 k = 0.0000 0.5000 0.8437 ( 7412 PWs) bands (ev): -20.6796 -20.6796 -20.6796 -20.6796 -7.4155 -7.4155 -7.4103 -7.4103 -5.6616 -5.6616 -5.6379 -5.6379 -5.3889 -5.3889 -5.3818 -5.3818 -4.8959 -4.8959 -4.8798 -4.8798 -3.4342 -3.4342 -3.4182 -3.4182 -2.6325 -2.6325 -2.6287 -2.6287 2.3362 2.3362 2.3497 2.3497 2.7526 2.7526 2.8145 2.8145 3.8784 3.8784 4.0191 4.0191 4.5908 4.5908 4.7112 4.7112 5.1682 5.1682 5.2877 5.2877 5.8175 5.8175 6.0292 6.0292 6.2950 6.2950 6.4502 6.4502 8.2705 8.2705 8.2939 8.2939 8.8899 8.8899 8.9305 8.9305 10.4594 10.4594 10.4776 10.4776 k = 0.0000 0.5000 0.8685 ( 7400 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4158 -7.4158 -7.4106 -7.4106 -5.6615 -5.6615 -5.6378 -5.6378 -5.3860 -5.3860 -5.3820 -5.3820 -4.8939 -4.8939 -4.8789 -4.8789 -3.4322 -3.4322 -3.4185 -3.4185 -2.6357 -2.6357 -2.6335 -2.6335 2.3348 2.3348 2.3465 2.3465 2.7498 2.7498 2.8118 2.8118 3.8731 3.8731 4.0110 4.0110 4.5901 4.5901 4.7093 4.7093 5.1728 5.1728 5.2879 5.2879 5.8228 5.8228 6.0333 6.0333 6.2896 6.2896 6.4431 6.4431 8.2667 8.2667 8.2843 8.2843 8.8923 8.8923 8.9249 8.9249 10.4662 10.4662 10.4841 10.4841 k = 0.0000 0.5000 0.8933 ( 7384 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4159 -7.4159 -7.4107 -7.4107 -5.6614 -5.6614 -5.6377 -5.6377 -5.3847 -5.3847 -5.3825 -5.3825 -4.8932 -4.8932 -4.8786 -4.8786 -3.4315 -3.4315 -3.4186 -3.4186 -2.6366 -2.6366 -2.6353 -2.6353 2.3343 2.3343 2.3454 2.3454 2.7489 2.7489 2.8109 2.8109 3.8713 3.8713 4.0083 4.0083 4.5898 4.5898 4.7087 4.7087 5.1744 5.1744 5.2879 5.2879 5.8246 5.8246 6.0347 6.0347 6.2878 6.2878 6.4407 6.4407 8.2658 8.2658 8.2808 8.2808 8.8933 8.8933 8.9228 8.9228 10.4686 10.4686 10.4863 10.4863 k = 0.5000 0.5000-0.0000 ( 7440 PWs) bands (ev): -20.6963 -20.6963 -20.6963 -20.6963 -7.3897 -7.3897 -7.3897 -7.3897 -5.9391 -5.9391 -5.9391 -5.9391 -5.2728 -5.2728 -5.2728 -5.2728 -4.8663 -4.8663 -4.8663 -4.8663 -3.8742 -3.8742 -3.8742 -3.8742 -1.9603 -1.9603 -1.9603 -1.9603 2.5333 2.5333 2.5333 2.5333 4.1331 4.1331 4.1331 4.1331 4.3244 4.3244 4.3244 4.3244 5.2339 5.2339 5.2339 5.2339 5.6125 5.6125 5.6125 5.6125 5.7052 5.7052 5.7052 5.7052 6.2915 6.2915 6.2915 6.2915 7.8401 7.8401 7.8401 7.8401 8.6339 8.6339 8.6339 8.6339 9.9667 9.9667 9.9667 9.9667 k = 0.5000 0.5000 0.0248 ( 7416 PWs) bands (ev): -20.6962 -20.6962 -20.6962 -20.6962 -7.3897 -7.3897 -7.3897 -7.3897 -5.9386 -5.9386 -5.9386 -5.9386 -5.2734 -5.2734 -5.2734 -5.2734 -4.8664 -4.8664 -4.8664 -4.8664 -3.8731 -3.8731 -3.8731 -3.8731 -1.9615 -1.9615 -1.9615 -1.9615 2.5338 2.5338 2.5338 2.5338 4.1287 4.1287 4.1287 4.1287 4.3217 4.3217 4.3217 4.3217 5.2333 5.2333 5.2333 5.2333 5.6112 5.6112 5.6112 5.6112 5.7061 5.7061 5.7061 5.7061 6.2927 6.2927 6.2927 6.2927 7.8407 7.8407 7.8407 7.8407 8.6381 8.6381 8.6381 8.6381 9.9686 9.9686 9.9686 9.9686 k = 0.5000 0.5000 0.0496 ( 7416 PWs) bands (ev): -20.6961 -20.6961 -20.6961 -20.6961 -7.3898 -7.3898 -7.3898 -7.3898 -5.9370 -5.9370 -5.9370 -5.9370 -5.2750 -5.2750 -5.2750 -5.2750 -4.8667 -4.8667 -4.8667 -4.8667 -3.8698 -3.8698 -3.8698 -3.8698 -1.9650 -1.9650 -1.9650 -1.9650 2.5353 2.5353 2.5353 2.5353 4.1153 4.1153 4.1153 4.1153 4.3142 4.3142 4.3142 4.3142 5.2315 5.2315 5.2315 5.2315 5.6066 5.6066 5.6066 5.6066 5.7098 5.7098 5.7098 5.7098 6.2961 6.2961 6.2961 6.2961 7.8423 7.8423 7.8423 7.8423 8.6507 8.6507 8.6507 8.6507 9.9744 9.9744 9.9744 9.9744 k = 0.5000 0.5000 0.0744 ( 7424 PWs) bands (ev): -20.6960 -20.6960 -20.6960 -20.6960 -7.3898 -7.3898 -7.3898 -7.3898 -5.9342 -5.9342 -5.9342 -5.9342 -5.2776 -5.2776 -5.2776 -5.2776 -4.8673 -4.8673 -4.8673 -4.8673 -3.8643 -3.8643 -3.8643 -3.8643 -1.9709 -1.9709 -1.9709 -1.9709 2.5378 2.5378 2.5378 2.5378 4.0934 4.0934 4.0934 4.0934 4.3023 4.3023 4.3023 4.3023 5.2278 5.2278 5.2278 5.2278 5.5970 5.5970 5.5970 5.5970 5.7183 5.7183 5.7183 5.7183 6.3013 6.3013 6.3013 6.3013 7.8452 7.8452 7.8452 7.8452 8.6708 8.6708 8.6708 8.6708 9.9843 9.9843 9.9843 9.9843 k = 0.5000 0.5000 0.0993 ( 7416 PWs) bands (ev): -20.6958 -20.6958 -20.6958 -20.6958 -7.3898 -7.3898 -7.3898 -7.3898 -5.9304 -5.9304 -5.9304 -5.9304 -5.2813 -5.2813 -5.2813 -5.2813 -4.8680 -4.8680 -4.8680 -4.8680 -3.8568 -3.8568 -3.8568 -3.8568 -1.9791 -1.9791 -1.9791 -1.9791 2.5411 2.5411 2.5411 2.5411 4.0632 4.0632 4.0632 4.0632 4.2870 4.2870 4.2870 4.2870 5.2218 5.2218 5.2218 5.2218 5.5817 5.5817 5.5817 5.5817 5.7325 5.7325 5.7325 5.7325 6.3079 6.3079 6.3079 6.3079 7.8496 7.8496 7.8496 7.8496 8.6972 8.6972 8.6972 8.6972 9.9987 9.9987 9.9987 9.9987 k = 0.5000 0.5000 0.1241 ( 7424 PWs) bands (ev): -20.6955 -20.6955 -20.6955 -20.6955 -7.3899 -7.3899 -7.3899 -7.3899 -5.9255 -5.9255 -5.9255 -5.9255 -5.2859 -5.2859 -5.2859 -5.2859 -4.8689 -4.8689 -4.8689 -4.8689 -3.8473 -3.8473 -3.8473 -3.8473 -1.9896 -1.9896 -1.9896 -1.9896 2.5451 2.5451 2.5451 2.5451 4.0259 4.0259 4.0259 4.0259 4.2686 4.2686 4.2686 4.2686 5.2133 5.2133 5.2133 5.2133 5.5616 5.5616 5.5616 5.5616 5.7513 5.7513 5.7513 5.7513 6.3152 6.3152 6.3152 6.3152 7.8560 7.8560 7.8560 7.8560 8.7286 8.7286 8.7286 8.7286 10.0181 10.0181 10.0181 10.0181 k = 0.5000 0.5000 0.1489 ( 7440 PWs) bands (ev): -20.6951 -20.6951 -20.6951 -20.6951 -7.3900 -7.3900 -7.3900 -7.3900 -5.9196 -5.9196 -5.9196 -5.9196 -5.2915 -5.2915 -5.2915 -5.2915 -4.8699 -4.8699 -4.8699 -4.8699 -3.8358 -3.8358 -3.8358 -3.8358 -2.0023 -2.0023 -2.0023 -2.0023 2.5497 2.5497 2.5497 2.5497 3.9826 3.9826 3.9826 3.9826 4.2474 4.2474 4.2474 4.2474 5.2023 5.2023 5.2023 5.2023 5.5383 5.5383 5.5383 5.5383 5.7729 5.7729 5.7729 5.7729 6.3227 6.3227 6.3227 6.3227 7.8649 7.8649 7.8649 7.8649 8.7630 8.7630 8.7630 8.7630 10.0429 10.0429 10.0429 10.0429 k = 0.5000 0.5000 0.1737 ( 7432 PWs) bands (ev): -20.6948 -20.6948 -20.6948 -20.6948 -7.3902 -7.3902 -7.3902 -7.3902 -5.9126 -5.9126 -5.9126 -5.9126 -5.2979 -5.2979 -5.2979 -5.2979 -4.8710 -4.8710 -4.8710 -4.8710 -3.8226 -3.8226 -3.8226 -3.8226 -2.0172 -2.0172 -2.0172 -2.0172 2.5545 2.5545 2.5545 2.5545 3.9347 3.9347 3.9347 3.9347 4.2236 4.2236 4.2236 4.2236 5.1892 5.1892 5.1892 5.1892 5.5132 5.5132 5.5132 5.5132 5.7954 5.7954 5.7954 5.7954 6.3299 6.3299 6.3299 6.3299 7.8769 7.8769 7.8769 7.8769 8.7986 8.7986 8.7986 8.7986 10.0737 10.0737 10.0737 10.0737 k = 0.5000 0.5000 0.1985 ( 7424 PWs) bands (ev): -20.6943 -20.6943 -20.6943 -20.6943 -7.3904 -7.3904 -7.3904 -7.3904 -5.9047 -5.9047 -5.9047 -5.9047 -5.3051 -5.3051 -5.3051 -5.3051 -4.8722 -4.8722 -4.8722 -4.8722 -3.8077 -3.8077 -3.8077 -3.8077 -2.0341 -2.0341 -2.0341 -2.0341 2.5593 2.5593 2.5593 2.5593 3.8835 3.8835 3.8835 3.8835 4.1973 4.1973 4.1973 4.1973 5.1744 5.1744 5.1744 5.1744 5.4875 5.4875 5.4875 5.4875 5.8168 5.8168 5.8168 5.8168 6.3361 6.3361 6.3361 6.3361 7.8925 7.8925 7.8925 7.8925 8.8334 8.8334 8.8334 8.8334 10.1110 10.1110 10.1110 10.1110 k = 0.5000 0.5000 0.2233 ( 7424 PWs) bands (ev): -20.6938 -20.6938 -20.6938 -20.6938 -7.3906 -7.3906 -7.3906 -7.3906 -5.8957 -5.8957 -5.8957 -5.8957 -5.3129 -5.3129 -5.3129 -5.3129 -4.8733 -4.8733 -4.8733 -4.8733 -3.7913 -3.7913 -3.7913 -3.7913 -2.0530 -2.0530 -2.0530 -2.0530 2.5638 2.5638 2.5638 2.5638 3.8301 3.8301 3.8301 3.8301 4.1688 4.1688 4.1688 4.1688 5.1585 5.1585 5.1585 5.1585 5.4621 5.4621 5.4621 5.4621 5.8356 5.8356 5.8356 5.8356 6.3411 6.3411 6.3411 6.3411 7.9122 7.9122 7.9122 7.9122 8.8660 8.8660 8.8660 8.8660 10.1549 10.1549 10.1549 10.1549 k = 0.5000 0.5000 0.2482 ( 7420 PWs) bands (ev): -20.6933 -20.6933 -20.6933 -20.6933 -7.3909 -7.3909 -7.3909 -7.3909 -5.8858 -5.8858 -5.8858 -5.8858 -5.3213 -5.3213 -5.3213 -5.3213 -4.8745 -4.8745 -4.8745 -4.8745 -3.7735 -3.7735 -3.7735 -3.7735 -2.0738 -2.0738 -2.0738 -2.0738 2.5675 2.5675 2.5675 2.5675 3.7755 3.7755 3.7755 3.7755 4.1385 4.1385 4.1385 4.1385 5.1418 5.1418 5.1418 5.1418 5.4380 5.4380 5.4380 5.4380 5.8505 5.8505 5.8505 5.8505 6.3442 6.3442 6.3442 6.3442 7.9365 7.9365 7.9365 7.9365 8.8950 8.8950 8.8950 8.8950 10.2051 10.2051 10.2051 10.2051 k = 0.5000 0.5000 0.2730 ( 7428 PWs) bands (ev): -20.6927 -20.6927 -20.6927 -20.6927 -7.3913 -7.3913 -7.3913 -7.3913 -5.8750 -5.8750 -5.8750 -5.8750 -5.3302 -5.3302 -5.3302 -5.3302 -4.8757 -4.8757 -4.8757 -4.8757 -3.7545 -3.7545 -3.7545 -3.7545 -2.0964 -2.0964 -2.0964 -2.0964 2.5701 2.5701 2.5701 2.5701 3.7206 3.7206 3.7206 3.7206 4.1072 4.1072 4.1072 4.1072 5.1243 5.1243 5.1243 5.1243 5.4158 5.4158 5.4158 5.4158 5.8609 5.8609 5.8609 5.8609 6.3451 6.3451 6.3451 6.3451 7.9654 7.9654 7.9654 7.9654 8.9198 8.9198 8.9198 8.9198 10.2612 10.2612 10.2612 10.2612 k = 0.5000 0.5000 0.2978 ( 7420 PWs) bands (ev): -20.6921 -20.6921 -20.6921 -20.6921 -7.3918 -7.3918 -7.3918 -7.3918 -5.8633 -5.8633 -5.8633 -5.8633 -5.3394 -5.3394 -5.3394 -5.3394 -4.8768 -4.8768 -4.8768 -4.8768 -3.7344 -3.7344 -3.7344 -3.7344 -2.1206 -2.1206 -2.1206 -2.1206 2.5710 2.5710 2.5710 2.5710 3.6660 3.6660 3.6660 3.6660 4.0758 4.0758 4.0758 4.0758 5.1059 5.1059 5.1059 5.1059 5.3961 5.3961 5.3961 5.3961 5.8663 5.8663 5.8663 5.8663 6.3433 6.3433 6.3433 6.3433 7.9990 7.9990 7.9990 7.9990 8.9400 8.9400 8.9400 8.9400 10.3220 10.3220 10.3220 10.3220 k = 0.5000 0.5000 0.3226 ( 7428 PWs) bands (ev): -20.6914 -20.6914 -20.6914 -20.6914 -7.3923 -7.3923 -7.3923 -7.3923 -5.8508 -5.8508 -5.8508 -5.8508 -5.3489 -5.3489 -5.3489 -5.3489 -4.8780 -4.8780 -4.8780 -4.8780 -3.7134 -3.7134 -3.7134 -3.7134 -2.1462 -2.1462 -2.1462 -2.1462 2.5698 2.5698 2.5698 2.5698 3.6124 3.6124 3.6124 3.6124 4.0453 4.0453 4.0453 4.0453 5.0864 5.0864 5.0864 5.0864 5.3791 5.3791 5.3791 5.3791 5.8668 5.8668 5.8668 5.8668 6.3386 6.3386 6.3386 6.3386 8.0369 8.0369 8.0369 8.0369 8.9557 8.9557 8.9557 8.9557 10.3863 10.3863 10.3863 10.3863 k = 0.5000 0.5000 0.3474 ( 7428 PWs) bands (ev): -20.6908 -20.6908 -20.6908 -20.6908 -7.3930 -7.3930 -7.3930 -7.3930 -5.8376 -5.8376 -5.8376 -5.8376 -5.3585 -5.3585 -5.3585 -5.3585 -4.8791 -4.8791 -4.8791 -4.8791 -3.6916 -3.6916 -3.6916 -3.6916 -2.1731 -2.1731 -2.1731 -2.1731 2.5658 2.5658 2.5658 2.5658 3.5600 3.5600 3.5600 3.5600 4.0168 4.0168 4.0168 4.0168 5.0657 5.0657 5.0657 5.0657 5.3651 5.3651 5.3651 5.3651 5.8626 5.8626 5.8626 5.8626 6.3307 6.3307 6.3307 6.3307 8.0786 8.0786 8.0786 8.0786 8.9674 8.9674 8.9674 8.9674 10.4527 10.4527 10.4527 10.4527 k = 0.5000 0.5000 0.3722 ( 7392 PWs) bands (ev): -20.6900 -20.6900 -20.6900 -20.6900 -7.3937 -7.3937 -7.3937 -7.3937 -5.8238 -5.8238 -5.8238 -5.8238 -5.3680 -5.3680 -5.3680 -5.3680 -4.8803 -4.8803 -4.8803 -4.8803 -3.6693 -3.6693 -3.6693 -3.6693 -2.2012 -2.2012 -2.2012 -2.2012 2.5587 2.5587 2.5587 2.5587 3.5095 3.5095 3.5095 3.5095 3.9914 3.9914 3.9914 3.9914 5.0435 5.0435 5.0435 5.0435 5.3540 5.3540 5.3540 5.3540 5.8542 5.8542 5.8542 5.8542 6.3194 6.3194 6.3194 6.3194 8.1234 8.1234 8.1234 8.1234 8.9756 8.9756 8.9756 8.9756 10.5197 10.5197 10.5197 10.5197 k = 0.5000 0.5000 0.3970 ( 7384 PWs) bands (ev): -20.6893 -20.6893 -20.6893 -20.6893 -7.3946 -7.3946 -7.3946 -7.3946 -5.8094 -5.8094 -5.8094 -5.8094 -5.3774 -5.3774 -5.3774 -5.3774 -4.8815 -4.8815 -4.8815 -4.8815 -3.6465 -3.6465 -3.6465 -3.6465 -2.2302 -2.2302 -2.2302 -2.2302 2.5481 2.5481 2.5481 2.5481 3.4610 3.4610 3.4610 3.4610 3.9702 3.9702 3.9702 3.9702 5.0199 5.0199 5.0199 5.0199 5.3452 5.3452 5.3452 5.3452 5.8423 5.8423 5.8423 5.8423 6.3050 6.3050 6.3050 6.3050 8.1704 8.1704 8.1704 8.1704 8.9808 8.9808 8.9808 8.9808 10.5856 10.5856 10.5856 10.5856 k = 0.5000 0.5000 0.4219 ( 7376 PWs) bands (ev): -20.6886 -20.6886 -20.6886 -20.6886 -7.3955 -7.3955 -7.3955 -7.3955 -5.7945 -5.7945 -5.7945 -5.7945 -5.3865 -5.3865 -5.3865 -5.3865 -4.8828 -4.8828 -4.8828 -4.8828 -3.6234 -3.6234 -3.6234 -3.6234 -2.2600 -2.2600 -2.2600 -2.2600 2.5336 2.5336 2.5336 2.5336 3.4149 3.4149 3.4149 3.4149 3.9539 3.9539 3.9539 3.9539 4.9951 4.9951 4.9951 4.9951 5.3380 5.3380 5.3380 5.3380 5.8276 5.8276 5.8276 5.8276 6.2876 6.2876 6.2876 6.2876 8.2189 8.2189 8.2189 8.2189 8.9836 8.9836 8.9836 8.9836 10.6484 10.6484 10.6484 10.6484 k = 0.5000 0.5000 0.4467 ( 7376 PWs) bands (ev): -20.6879 -20.6879 -20.6879 -20.6879 -7.3966 -7.3966 -7.3966 -7.3966 -5.7794 -5.7794 -5.7794 -5.7794 -5.3953 -5.3953 -5.3953 -5.3953 -4.8841 -4.8841 -4.8841 -4.8841 -3.6001 -3.6001 -3.6001 -3.6001 -2.2903 -2.2903 -2.2903 -2.2903 2.5153 2.5153 2.5153 2.5153 3.3715 3.3715 3.3715 3.3715 3.9431 3.9431 3.9431 3.9431 4.9694 4.9694 4.9694 4.9694 5.3315 5.3315 5.3315 5.3315 5.8107 5.8107 5.8107 5.8107 6.2678 6.2678 6.2678 6.2678 8.2678 8.2678 8.2678 8.2678 8.9841 8.9841 8.9841 8.9841 10.7053 10.7053 10.7053 10.7053 k = 0.5000 0.5000 0.4715 ( 7368 PWs) bands (ev): -20.6871 -20.6871 -20.6871 -20.6871 -7.3977 -7.3977 -7.3977 -7.3977 -5.7640 -5.7640 -5.7640 -5.7640 -5.4035 -5.4035 -5.4035 -5.4035 -4.8855 -4.8855 -4.8855 -4.8855 -3.5769 -3.5769 -3.5769 -3.5769 -2.3209 -2.3209 -2.3209 -2.3209 2.4930 2.4930 2.4930 2.4930 3.3308 3.3308 3.3308 3.3308 3.9383 3.9383 3.9383 3.9383 4.9432 4.9432 4.9432 4.9432 5.3248 5.3248 5.3248 5.3248 5.7923 5.7923 5.7923 5.7923 6.2462 6.2462 6.2462 6.2462 8.3163 8.3163 8.3163 8.3163 8.9827 8.9827 8.9827 8.9827 10.7517 10.7517 10.7517 10.7517 k = 0.5000 0.5000 0.4963 ( 7388 PWs) bands (ev): -20.6864 -20.6864 -20.6864 -20.6864 -7.3988 -7.3988 -7.3988 -7.3988 -5.7486 -5.7486 -5.7486 -5.7486 -5.4111 -5.4111 -5.4111 -5.4111 -4.8871 -4.8871 -4.8871 -4.8871 -3.5539 -3.5539 -3.5539 -3.5539 -2.3516 -2.3516 -2.3516 -2.3516 2.4672 2.4672 2.4672 2.4672 3.2929 3.2929 3.2929 3.2929 3.9395 3.9395 3.9395 3.9395 4.9168 4.9168 4.9168 4.9168 5.3169 5.3169 5.3169 5.3169 5.7729 5.7729 5.7729 5.7729 6.2235 6.2235 6.2235 6.2235 8.3636 8.3636 8.3636 8.3636 8.9795 8.9795 8.9795 8.9795 10.7820 10.7820 10.7820 10.7820 k = 0.5000 0.5000 0.5211 ( 7400 PWs) bands (ev): -20.6857 -20.6857 -20.6857 -20.6857 -7.4001 -7.4001 -7.4001 -7.4001 -5.7334 -5.7334 -5.7334 -5.7334 -5.4179 -5.4179 -5.4179 -5.4179 -4.8888 -4.8888 -4.8888 -4.8888 -3.5312 -3.5312 -3.5312 -3.5312 -2.3821 -2.3821 -2.3821 -2.3821 2.4383 2.4383 2.4383 2.4383 3.2580 3.2580 3.2580 3.2580 3.9468 3.9468 3.9468 3.9468 4.8906 4.8906 4.8906 4.8906 5.3069 5.3069 5.3069 5.3069 5.7526 5.7526 5.7526 5.7526 6.2009 6.2009 6.2009 6.2009 8.4090 8.4090 8.4090 8.4090 8.9743 8.9743 8.9743 8.9743 10.7945 10.7945 10.7945 10.7945 k = 0.5000 0.5000 0.5459 ( 7380 PWs) bands (ev): -20.6850 -20.6850 -20.6850 -20.6850 -7.4014 -7.4014 -7.4014 -7.4014 -5.7186 -5.7186 -5.7186 -5.7186 -5.4238 -5.4238 -5.4238 -5.4238 -4.8907 -4.8907 -4.8907 -4.8907 -3.5090 -3.5090 -3.5090 -3.5090 -2.4122 -2.4122 -2.4122 -2.4122 2.4069 2.4069 2.4069 2.4069 3.2260 3.2260 3.2260 3.2260 3.9599 3.9599 3.9599 3.9599 4.8649 4.8649 4.8649 4.8649 5.2943 5.2943 5.2943 5.2943 5.7315 5.7315 5.7315 5.7315 6.1795 6.1795 6.1795 6.1795 8.4519 8.4519 8.4519 8.4519 8.9672 8.9672 8.9672 8.9672 10.7946 10.7946 10.7946 10.7946 k = 0.5000 0.5000 0.5707 ( 7396 PWs) bands (ev): -20.6843 -20.6843 -20.6843 -20.6843 -7.4027 -7.4027 -7.4027 -7.4027 -5.7043 -5.7043 -5.7043 -5.7043 -5.4287 -5.4287 -5.4287 -5.4287 -4.8927 -4.8927 -4.8927 -4.8927 -3.4875 -3.4875 -3.4875 -3.4875 -2.4417 -2.4417 -2.4417 -2.4417 2.3738 2.3738 2.3738 2.3738 3.1968 3.1968 3.1968 3.1968 3.9784 3.9784 3.9784 3.9784 4.8399 4.8399 4.8399 4.8399 5.2785 5.2785 5.2785 5.2785 5.7094 5.7094 5.7094 5.7094 6.1602 6.1602 6.1602 6.1602 8.4918 8.4918 8.4918 8.4918 8.9581 8.9581 8.9581 8.9581 10.7897 10.7897 10.7897 10.7897 k = 0.5000 0.5000 0.5956 ( 7408 PWs) bands (ev): -20.6837 -20.6837 -20.6837 -20.6837 -7.4040 -7.4040 -7.4040 -7.4040 -5.6908 -5.6908 -5.6908 -5.6908 -5.4324 -5.4324 -5.4324 -5.4324 -4.8949 -4.8949 -4.8949 -4.8949 -3.4667 -3.4667 -3.4667 -3.4667 -2.4702 -2.4702 -2.4702 -2.4702 2.3397 2.3397 2.3397 2.3397 3.1703 3.1703 3.1703 3.1703 4.0017 4.0017 4.0017 4.0017 4.8160 4.8160 4.8160 4.8160 5.2595 5.2595 5.2595 5.2595 5.6860 5.6860 5.6860 5.6860 6.1442 6.1442 6.1442 6.1442 8.5284 8.5284 8.5284 8.5284 8.9471 8.9471 8.9471 8.9471 10.7844 10.7844 10.7844 10.7844 k = 0.5000 0.5000 0.6204 ( 7408 PWs) bands (ev): -20.6831 -20.6831 -20.6831 -20.6831 -7.4054 -7.4054 -7.4054 -7.4054 -5.6783 -5.6783 -5.6783 -5.6783 -5.4350 -5.4350 -5.4350 -5.4350 -4.8973 -4.8973 -4.8973 -4.8973 -3.4470 -3.4470 -3.4470 -3.4470 -2.4976 -2.4976 -2.4976 -2.4976 2.3053 2.3053 2.3053 2.3053 3.1464 3.1464 3.1464 3.1464 4.0294 4.0294 4.0294 4.0294 4.7933 4.7933 4.7933 4.7933 5.2372 5.2372 5.2372 5.2372 5.6611 5.6611 5.6611 5.6611 6.1320 6.1320 6.1320 6.1320 8.5614 8.5614 8.5614 8.5614 8.9343 8.9343 8.9343 8.9343 10.7815 10.7815 10.7815 10.7815 k = 0.5000 0.5000 0.6452 ( 7400 PWs) bands (ev): -20.6825 -20.6825 -20.6825 -20.6825 -7.4067 -7.4067 -7.4067 -7.4067 -5.6670 -5.6670 -5.6670 -5.6670 -5.4362 -5.4362 -5.4362 -5.4362 -4.8998 -4.8998 -4.8998 -4.8998 -3.4283 -3.4283 -3.4283 -3.4283 -2.5236 -2.5236 -2.5236 -2.5236 2.2715 2.2715 2.2715 2.2715 3.1251 3.1251 3.1251 3.1251 4.0608 4.0608 4.0608 4.0608 4.7721 4.7721 4.7721 4.7721 5.2119 5.2119 5.2119 5.2119 5.6349 5.6349 5.6349 5.6349 6.1239 6.1239 6.1239 6.1239 8.5908 8.5908 8.5908 8.5908 8.9200 8.9200 8.9200 8.9200 10.7821 10.7821 10.7821 10.7821 k = 0.5000 0.5000 0.6700 ( 7400 PWs) bands (ev): -20.6819 -20.6819 -20.6819 -20.6819 -7.4079 -7.4079 -7.4079 -7.4079 -5.6570 -5.6570 -5.6570 -5.6570 -5.4363 -5.4363 -5.4363 -5.4363 -4.9024 -4.9024 -4.9024 -4.9024 -3.4109 -3.4109 -3.4109 -3.4109 -2.5480 -2.5480 -2.5480 -2.5480 2.2388 2.2388 2.2388 2.2388 3.1062 3.1062 3.1062 3.1062 4.0951 4.0951 4.0951 4.0951 4.7524 4.7524 4.7524 4.7524 5.1840 5.1840 5.1840 5.1840 5.6077 5.6077 5.6077 5.6077 6.1198 6.1198 6.1198 6.1198 8.6165 8.6165 8.6165 8.6165 8.9046 8.9046 8.9046 8.9046 10.7864 10.7864 10.7864 10.7864 k = 0.5000 0.5000 0.6948 ( 7408 PWs) bands (ev): -20.6814 -20.6814 -20.6814 -20.6814 -7.4091 -7.4091 -7.4091 -7.4091 -5.6485 -5.6485 -5.6485 -5.6485 -5.4351 -5.4351 -5.4351 -5.4351 -4.9050 -4.9050 -4.9050 -4.9050 -3.3950 -3.3950 -3.3950 -3.3950 -2.5705 -2.5705 -2.5705 -2.5705 2.2079 2.2079 2.2079 2.2079 3.0896 3.0896 3.0896 3.0896 4.1316 4.1316 4.1316 4.1316 4.7346 4.7346 4.7346 4.7346 5.1538 5.1538 5.1538 5.1538 5.5803 5.5803 5.5803 5.5803 6.1190 6.1190 6.1190 6.1190 8.6386 8.6386 8.6386 8.6386 8.8887 8.8887 8.8887 8.8887 10.7944 10.7944 10.7944 10.7944 k = 0.5000 0.5000 0.7196 ( 7392 PWs) bands (ev): -20.6810 -20.6810 -20.6810 -20.6810 -7.4102 -7.4102 -7.4102 -7.4102 -5.6414 -5.6414 -5.6414 -5.6414 -5.4331 -5.4331 -5.4331 -5.4331 -4.9076 -4.9076 -4.9076 -4.9076 -3.3805 -3.3805 -3.3805 -3.3805 -2.5909 -2.5909 -2.5909 -2.5909 2.1795 2.1795 2.1795 2.1795 3.0752 3.0752 3.0752 3.0752 4.1695 4.1695 4.1695 4.1695 4.7186 4.7186 4.7186 4.7186 5.1221 5.1221 5.1221 5.1221 5.5536 5.5536 5.5536 5.5536 6.1209 6.1209 6.1209 6.1209 8.6573 8.6573 8.6573 8.6573 8.8727 8.8727 8.8727 8.8727 10.8054 10.8054 10.8054 10.8054 k = 0.5000 0.5000 0.7445 ( 7400 PWs) bands (ev): -20.6806 -20.6806 -20.6806 -20.6806 -7.4112 -7.4112 -7.4112 -7.4112 -5.6357 -5.6357 -5.6357 -5.6357 -5.4303 -5.4303 -5.4303 -5.4303 -4.9101 -4.9101 -4.9101 -4.9101 -3.3677 -3.3677 -3.3677 -3.3677 -2.6090 -2.6090 -2.6090 -2.6090 2.1538 2.1538 2.1538 2.1538 3.0629 3.0629 3.0629 3.0629 4.2076 4.2076 4.2076 4.2076 4.7046 4.7046 4.7046 4.7046 5.0894 5.0894 5.0894 5.0894 5.5285 5.5285 5.5285 5.5285 6.1245 6.1245 6.1245 6.1245 8.6726 8.6726 8.6726 8.6726 8.8575 8.8575 8.8575 8.8575 10.8185 10.8185 10.8185 10.8185 k = 0.5000 0.5000 0.7693 ( 7408 PWs) bands (ev): -20.6803 -20.6803 -20.6803 -20.6803 -7.4121 -7.4121 -7.4121 -7.4121 -5.6313 -5.6313 -5.6313 -5.6313 -5.4272 -5.4272 -5.4272 -5.4272 -4.9125 -4.9125 -4.9125 -4.9125 -3.3567 -3.3567 -3.3567 -3.3567 -2.6247 -2.6247 -2.6247 -2.6247 2.1315 2.1315 2.1315 2.1315 3.0526 3.0526 3.0526 3.0526 4.2449 4.2449 4.2449 4.2449 4.6927 4.6927 4.6927 4.6927 5.0568 5.0568 5.0568 5.0568 5.5059 5.5059 5.5059 5.5059 6.1292 6.1292 6.1292 6.1292 8.6848 8.6848 8.6848 8.6848 8.8436 8.8436 8.8436 8.8436 10.8327 10.8327 10.8327 10.8327 k = 0.5000 0.5000 0.7941 ( 7416 PWs) bands (ev): -20.6800 -20.6800 -20.6800 -20.6800 -7.4128 -7.4128 -7.4128 -7.4128 -5.6279 -5.6279 -5.6279 -5.6279 -5.4240 -5.4240 -5.4240 -5.4240 -4.9145 -4.9145 -4.9145 -4.9145 -3.3475 -3.3475 -3.3475 -3.3475 -2.6377 -2.6377 -2.6377 -2.6377 2.1127 2.1127 2.1127 2.1127 3.0443 3.0443 3.0443 3.0443 4.2797 4.2797 4.2797 4.2797 4.6830 4.6830 4.6830 4.6830 5.0257 5.0257 5.0257 5.0257 5.4866 5.4866 5.4866 5.4866 6.1340 6.1340 6.1340 6.1340 8.6941 8.6941 8.6941 8.6941 8.8315 8.8315 8.8315 8.8315 10.8468 10.8468 10.8468 10.8468 k = 0.5000 0.5000 0.8189 ( 7424 PWs) bands (ev): -20.6798 -20.6798 -20.6798 -20.6798 -7.4134 -7.4134 -7.4134 -7.4134 -5.6255 -5.6255 -5.6255 -5.6255 -5.4211 -5.4211 -5.4211 -5.4211 -4.9162 -4.9162 -4.9162 -4.9162 -3.3403 -3.3403 -3.3403 -3.3403 -2.6480 -2.6480 -2.6480 -2.6480 2.0978 2.0978 2.0978 2.0978 3.0379 3.0379 3.0379 3.0379 4.3104 4.3104 4.3104 4.3104 4.6755 4.6755 4.6755 4.6755 4.9979 4.9979 4.9979 4.9979 5.4710 5.4710 5.4710 5.4710 6.1385 6.1385 6.1385 6.1385 8.7008 8.7008 8.7008 8.7008 8.8219 8.8219 8.8219 8.8219 10.8596 10.8596 10.8596 10.8596 k = 0.5000 0.5000 0.8437 ( 7424 PWs) bands (ev): -20.6796 -20.6796 -20.6796 -20.6796 -7.4139 -7.4139 -7.4139 -7.4139 -5.6239 -5.6239 -5.6239 -5.6239 -5.4188 -5.4188 -5.4188 -5.4188 -4.9175 -4.9175 -4.9175 -4.9175 -3.3351 -3.3351 -3.3351 -3.3351 -2.6555 -2.6555 -2.6555 -2.6555 2.0870 2.0870 2.0870 2.0870 3.0334 3.0334 3.0334 3.0334 4.3346 4.3346 4.3346 4.3346 4.6702 4.6702 4.6702 4.6702 4.9755 4.9755 4.9755 4.9755 5.4597 5.4597 5.4597 5.4597 6.1421 6.1421 6.1421 6.1421 8.7052 8.7052 8.7052 8.7052 8.8149 8.8149 8.8149 8.8149 10.8699 10.8699 10.8699 10.8699 k = 0.5000 0.5000 0.8685 ( 7416 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4141 -7.4141 -7.4141 -7.4141 -5.6230 -5.6230 -5.6230 -5.6230 -5.4173 -5.4173 -5.4173 -5.4173 -4.9183 -4.9183 -4.9183 -4.9183 -3.3320 -3.3320 -3.3320 -3.3320 -2.6599 -2.6599 -2.6599 -2.6599 2.0805 2.0805 2.0805 2.0805 3.0307 3.0307 3.0307 3.0307 4.3504 4.3504 4.3504 4.3504 4.6671 4.6671 4.6671 4.6671 4.9607 4.9607 4.9607 4.9607 5.4528 5.4528 5.4528 5.4528 6.1444 6.1444 6.1444 6.1444 8.7076 8.7076 8.7076 8.7076 8.8108 8.8108 8.8108 8.8108 10.8765 10.8765 10.8765 10.8765 k = 0.5000 0.5000 0.8933 ( 7408 PWs) bands (ev): -20.6795 -20.6795 -20.6795 -20.6795 -7.4142 -7.4142 -7.4142 -7.4142 -5.6227 -5.6227 -5.6227 -5.6227 -5.4168 -5.4168 -5.4168 -5.4168 -4.9186 -4.9186 -4.9186 -4.9186 -3.3309 -3.3309 -3.3309 -3.3309 -2.6614 -2.6614 -2.6614 -2.6614 2.0783 2.0783 2.0783 2.0783 3.0298 3.0298 3.0298 3.0298 4.3558 4.3558 4.3558 4.3558 4.6661 4.6661 4.6661 4.6661 4.9556 4.9556 4.9556 4.9556 5.4504 5.4504 5.4504 5.4504 6.1451 6.1451 6.1451 6.1451 8.7084 8.7084 8.7084 8.7084 8.8094 8.8094 8.8094 8.8094 10.8788 10.8788 10.8788 10.8788 Writing output data file BaTe3.save init_run : 0.78s CPU 1.49s WALL ( 1 calls) electrons : 771.81s CPU 802.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.42s WALL ( 1 calls) potinit : 0.04s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 771.80s CPU 802.95s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.32s CPU 0.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 255 calls) cegterg : 741.42s CPU 770.97s WALL ( 751 calls) Called by sum_band: Called by *egterg: h_psi : 435.93s CPU 467.25s WALL ( 13474 calls) s_psi : 51.26s CPU 51.49s WALL ( 13474 calls) g_psi : 0.98s CPU 1.02s WALL ( 12468 calls) cdiaghg : 183.03s CPU 178.88s WALL ( 12723 calls) cegterg:over : 39.62s CPU 37.32s WALL ( 12468 calls) cegterg:upda : 18.18s CPU 22.74s WALL ( 12468 calls) cegterg:last : 13.64s CPU 14.45s WALL ( 1780 calls) Called by h_psi: h_psi:vloc : 363.99s CPU 394.11s WALL ( 13474 calls) h_psi:vnl : 71.72s CPU 72.53s WALL ( 13474 calls) add_vuspsi : 35.65s CPU 38.53s WALL ( 13474 calls) General routines calbec : 36.04s CPU 33.96s WALL ( 13474 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 348.82s CPU 376.57s WALL ( 1473608 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.05s CPU 0.30s WALL ( 510 calls) Parallel routines fft_scatter : 211.98s CPU 227.68s WALL ( 1473631 calls) PWSCF : 13m24.25s CPU 14m17.18s WALL This run was terminated on: 16:20:45 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=