Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:21:29 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./CaxBePx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 84 31 8 6614 1491 222 Max 85 32 9 6621 1516 233 Sum 3037 1135 313 238221 54125 8223 bravais-lattice index = 14 lattice parameter (alat) = 7.1054 a.u. unit-cell volume = 548.7017 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.105370 celldm(2)= 1.000000 celldm(3)= 1.766223 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.766223 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.566180 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Ca 10.00 40.07800 Ca( 1.00) Be 4.00 9.01220 Be( 1.00) P 5.00 30.97380 P( 1.00) 12 Sym. Ops., with inversion, found 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0028818 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0028818 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0028818 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0028818 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0028818 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0028818 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0028818 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0028818 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0028818 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0028818 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0028818 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0028818 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0028818 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0028818 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0028818 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0028818 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0028818 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0028818 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0028818 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0028818 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0028818 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0028818 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0028818 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0028818 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0028818 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0028818 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0028818 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0028818 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0028818 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0028818 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0028818 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0028818 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0028818 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0028818 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0028818 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0028818 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0028818 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0028818 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0028818 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0028818 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0028818 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0028818 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0028818 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0028818 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0028818 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0028818 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0028818 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0028818 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028818 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028818 k( 52) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028818 k( 53) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028818 k( 54) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028818 k( 55) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028818 k( 56) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028818 k( 57) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028818 k( 58) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028818 k( 59) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028818 k( 60) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028818 k( 61) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028818 k( 62) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028818 k( 63) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028818 k( 64) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028818 k( 65) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028818 k( 66) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028818 k( 67) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028818 k( 68) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028818 k( 69) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028818 k( 70) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028818 k( 71) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028818 k( 72) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028818 k( 73) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028818 k( 74) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028818 k( 75) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028818 k( 76) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028818 k( 77) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028818 k( 78) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028818 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028818 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028818 k( 81) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0028818 k( 82) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0028818 k( 83) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0028818 k( 84) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0028818 k( 85) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0028818 k( 86) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0028818 k( 87) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0028818 k( 88) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0028818 k( 89) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0028818 k( 90) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0028818 k( 91) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0028818 k( 92) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0028818 k( 93) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0028818 k( 94) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028818 k( 95) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0028818 k( 96) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0028818 k( 97) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0028818 k( 98) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0028818 k( 99) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0028818 k( 100) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0028818 k( 101) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0028818 k( 102) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0028818 k( 103) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0028818 k( 104) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0028818 k( 105) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0028818 k( 106) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0028818 k( 107) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0028818 k( 108) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028818 k( 109) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0028818 k( 110) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0028818 k( 111) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0028818 k( 112) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0028818 k( 113) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0028818 k( 114) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0028818 k( 115) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0028818 k( 116) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0028818 k( 117) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0028818 k( 118) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0028818 k( 119) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0028818 k( 120) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0028818 k( 121) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0028818 k( 122) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028818 k( 123) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0028818 k( 124) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0028818 k( 125) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0028818 k( 126) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0028818 k( 127) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0028818 k( 128) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0028818 k( 129) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0028818 k( 130) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0028818 k( 131) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0028818 k( 132) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0028818 k( 133) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0028818 k( 134) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0028818 k( 135) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0028818 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 138) = ( 0.0000000 0.0000000 0.0117954), wk = 0.0028818 k( 139) = ( 0.0000000 0.0000000 0.0235908), wk = 0.0028818 k( 140) = ( 0.0000000 0.0000000 0.0353862), wk = 0.0028818 k( 141) = ( 0.0000000 0.0000000 0.0471816), wk = 0.0028818 k( 142) = ( 0.0000000 0.0000000 0.0589771), wk = 0.0028818 k( 143) = ( 0.0000000 0.0000000 0.0707725), wk = 0.0028818 k( 144) = ( 0.0000000 0.0000000 0.0825679), wk = 0.0028818 k( 145) = ( 0.0000000 0.0000000 0.0943633), wk = 0.0028818 k( 146) = ( 0.0000000 0.0000000 0.1061587), wk = 0.0028818 k( 147) = ( 0.0000000 0.0000000 0.1179541), wk = 0.0028818 k( 148) = ( 0.0000000 0.0000000 0.1297495), wk = 0.0028818 k( 149) = ( 0.0000000 0.0000000 0.1415449), wk = 0.0028818 k( 150) = ( 0.0000000 0.0000000 0.1533404), wk = 0.0028818 k( 151) = ( 0.0000000 0.0000000 0.1651358), wk = 0.0028818 k( 152) = ( 0.0000000 0.0000000 0.1769312), wk = 0.0028818 k( 153) = ( 0.0000000 0.0000000 0.1887266), wk = 0.0028818 k( 154) = ( 0.0000000 0.0000000 0.2005220), wk = 0.0028818 k( 155) = ( 0.0000000 0.0000000 0.2123174), wk = 0.0028818 k( 156) = ( 0.0000000 0.0000000 0.2241128), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.2359082), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.2477037), wk = 0.0028818 k( 159) = ( 0.0000000 0.0000000 0.2594991), wk = 0.0028818 k( 160) = ( 0.0000000 0.0000000 0.2712945), wk = 0.0028818 k( 161) = ( 0.0000000 0.0000000 0.2830899), wk = 0.0028818 k( 162) = ( 0.0000000 0.0000000 0.2830899), wk = 0.0028818 k( 163) = ( 0.0102041 0.0058913 0.2830899), wk = 0.0028818 k( 164) = ( 0.0204082 0.0117827 0.2830899), wk = 0.0028818 k( 165) = ( 0.0306122 0.0176740 0.2830899), wk = 0.0028818 k( 166) = ( 0.0408163 0.0235653 0.2830899), wk = 0.0028818 k( 167) = ( 0.0510204 0.0294566 0.2830899), wk = 0.0028818 k( 168) = ( 0.0612245 0.0353480 0.2830899), wk = 0.0028818 k( 169) = ( 0.0714286 0.0412393 0.2830899), wk = 0.0028818 k( 170) = ( 0.0816327 0.0471306 0.2830899), wk = 0.0028818 k( 171) = ( 0.0918367 0.0530220 0.2830899), wk = 0.0028818 k( 172) = ( 0.1020408 0.0589133 0.2830899), wk = 0.0028818 k( 173) = ( 0.1122449 0.0648046 0.2830899), wk = 0.0028818 k( 174) = ( 0.1224490 0.0706960 0.2830899), wk = 0.0028818 k( 175) = ( 0.1326531 0.0765873 0.2830899), wk = 0.0028818 k( 176) = ( 0.1428571 0.0824786 0.2830899), wk = 0.0028818 k( 177) = ( 0.1530612 0.0883699 0.2830899), wk = 0.0028818 k( 178) = ( 0.1632653 0.0942613 0.2830899), wk = 0.0028818 k( 179) = ( 0.1734694 0.1001526 0.2830899), wk = 0.0028818 k( 180) = ( 0.1836735 0.1060439 0.2830899), wk = 0.0028818 k( 181) = ( 0.1938776 0.1119353 0.2830899), wk = 0.0028818 k( 182) = ( 0.2040816 0.1178266 0.2830899), wk = 0.0028818 k( 183) = ( 0.2142857 0.1237179 0.2830899), wk = 0.0028818 k( 184) = ( 0.2244898 0.1296092 0.2830899), wk = 0.0028818 k( 185) = ( 0.2346939 0.1355006 0.2830899), wk = 0.0028818 k( 186) = ( 0.2448980 0.1413919 0.2830899), wk = 0.0028818 k( 187) = ( 0.2551020 0.1472832 0.2830899), wk = 0.0028818 k( 188) = ( 0.2653061 0.1531746 0.2830899), wk = 0.0028818 k( 189) = ( 0.2755102 0.1590659 0.2830899), wk = 0.0028818 k( 190) = ( 0.2857143 0.1649572 0.2830899), wk = 0.0028818 k( 191) = ( 0.2959184 0.1708486 0.2830899), wk = 0.0028818 k( 192) = ( 0.3061224 0.1767399 0.2830899), wk = 0.0028818 k( 193) = ( 0.3163265 0.1826312 0.2830899), wk = 0.0028818 k( 194) = ( 0.3265306 0.1885225 0.2830899), wk = 0.0028818 k( 195) = ( 0.3367347 0.1944139 0.2830899), wk = 0.0028818 k( 196) = ( 0.3469388 0.2003052 0.2830899), wk = 0.0028818 k( 197) = ( 0.3571429 0.2061965 0.2830899), wk = 0.0028818 k( 198) = ( 0.3673469 0.2120879 0.2830899), wk = 0.0028818 k( 199) = ( 0.3775510 0.2179792 0.2830899), wk = 0.0028818 k( 200) = ( 0.3877551 0.2238705 0.2830899), wk = 0.0028818 k( 201) = ( 0.3979592 0.2297618 0.2830899), wk = 0.0028818 k( 202) = ( 0.4081633 0.2356532 0.2830899), wk = 0.0028818 k( 203) = ( 0.4183674 0.2415445 0.2830899), wk = 0.0028818 k( 204) = ( 0.4285714 0.2474358 0.2830899), wk = 0.0028818 k( 205) = ( 0.4387755 0.2533272 0.2830899), wk = 0.0028818 k( 206) = ( 0.4489796 0.2592185 0.2830899), wk = 0.0028818 k( 207) = ( 0.4591837 0.2651098 0.2830899), wk = 0.0028818 k( 208) = ( 0.4693878 0.2710011 0.2830899), wk = 0.0028818 k( 209) = ( 0.4795918 0.2768925 0.2830899), wk = 0.0028818 k( 210) = ( 0.4897959 0.2827838 0.2830899), wk = 0.0028818 k( 211) = ( 0.5000000 0.2886751 0.2830899), wk = 0.0028818 k( 212) = ( 0.5000000 0.2886751 0.2830899), wk = 0.0028818 k( 213) = ( 0.4940476 0.2989850 0.2830899), wk = 0.0028818 k( 214) = ( 0.4880952 0.3092948 0.2830899), wk = 0.0028818 k( 215) = ( 0.4821429 0.3196046 0.2830899), wk = 0.0028818 k( 216) = ( 0.4761905 0.3299144 0.2830899), wk = 0.0028818 k( 217) = ( 0.4702381 0.3402243 0.2830899), wk = 0.0028818 k( 218) = ( 0.4642857 0.3505341 0.2830899), wk = 0.0028818 k( 219) = ( 0.4583333 0.3608439 0.2830899), wk = 0.0028818 k( 220) = ( 0.4523810 0.3711537 0.2830899), wk = 0.0028818 k( 221) = ( 0.4464286 0.3814636 0.2830899), wk = 0.0028818 k( 222) = ( 0.4404762 0.3917734 0.2830899), wk = 0.0028818 k( 223) = ( 0.4345238 0.4020832 0.2830899), wk = 0.0028818 k( 224) = ( 0.4285714 0.4123930 0.2830899), wk = 0.0028818 k( 225) = ( 0.4226190 0.4227029 0.2830899), wk = 0.0028818 k( 226) = ( 0.4166667 0.4330127 0.2830899), wk = 0.0028818 k( 227) = ( 0.4107143 0.4433225 0.2830899), wk = 0.0028818 k( 228) = ( 0.4047619 0.4536324 0.2830899), wk = 0.0028818 k( 229) = ( 0.3988095 0.4639422 0.2830899), wk = 0.0028818 k( 230) = ( 0.3928571 0.4742520 0.2830899), wk = 0.0028818 k( 231) = ( 0.3869048 0.4845618 0.2830899), wk = 0.0028818 k( 232) = ( 0.3809524 0.4948717 0.2830899), wk = 0.0028818 k( 233) = ( 0.3750000 0.5051815 0.2830899), wk = 0.0028818 k( 234) = ( 0.3690476 0.5154913 0.2830899), wk = 0.0028818 k( 235) = ( 0.3630952 0.5258011 0.2830899), wk = 0.0028818 k( 236) = ( 0.3571429 0.5361110 0.2830899), wk = 0.0028818 k( 237) = ( 0.3511905 0.5464208 0.2830899), wk = 0.0028818 k( 238) = ( 0.3452381 0.5567306 0.2830899), wk = 0.0028818 k( 239) = ( 0.3392857 0.5670404 0.2830899), wk = 0.0028818 k( 240) = ( 0.3333333 0.5773503 0.2830899), wk = 0.0028818 k( 241) = ( 0.3333333 0.5773503 0.2830899), wk = 0.0028818 k( 242) = ( 0.3273810 0.5670404 0.2830899), wk = 0.0028818 k( 243) = ( 0.3214286 0.5567306 0.2830899), wk = 0.0028818 k( 244) = ( 0.3154762 0.5464208 0.2830899), wk = 0.0028818 k( 245) = ( 0.3095238 0.5361110 0.2830899), wk = 0.0028818 k( 246) = ( 0.3035714 0.5258011 0.2830899), wk = 0.0028818 k( 247) = ( 0.2976190 0.5154913 0.2830899), wk = 0.0028818 k( 248) = ( 0.2916667 0.5051815 0.2830899), wk = 0.0028818 k( 249) = ( 0.2857143 0.4948717 0.2830899), wk = 0.0028818 k( 250) = ( 0.2797619 0.4845618 0.2830899), wk = 0.0028818 k( 251) = ( 0.2738095 0.4742520 0.2830899), wk = 0.0028818 k( 252) = ( 0.2678571 0.4639422 0.2830899), wk = 0.0028818 k( 253) = ( 0.2619048 0.4536324 0.2830899), wk = 0.0028818 k( 254) = ( 0.2559524 0.4433225 0.2830899), wk = 0.0028818 k( 255) = ( 0.2500000 0.4330127 0.2830899), wk = 0.0028818 k( 256) = ( 0.2440476 0.4227029 0.2830899), wk = 0.0028818 k( 257) = ( 0.2380952 0.4123931 0.2830899), wk = 0.0028818 k( 258) = ( 0.2321429 0.4020832 0.2830899), wk = 0.0028818 k( 259) = ( 0.2261905 0.3917734 0.2830899), wk = 0.0028818 k( 260) = ( 0.2202381 0.3814636 0.2830899), wk = 0.0028818 k( 261) = ( 0.2142857 0.3711537 0.2830899), wk = 0.0028818 k( 262) = ( 0.2083333 0.3608439 0.2830899), wk = 0.0028818 k( 263) = ( 0.2023810 0.3505341 0.2830899), wk = 0.0028818 k( 264) = ( 0.1964286 0.3402243 0.2830899), wk = 0.0028818 k( 265) = ( 0.1904762 0.3299144 0.2830899), wk = 0.0028818 k( 266) = ( 0.1845238 0.3196046 0.2830899), wk = 0.0028818 k( 267) = ( 0.1785714 0.3092948 0.2830899), wk = 0.0028818 k( 268) = ( 0.1726190 0.2989850 0.2830899), wk = 0.0028818 k( 269) = ( 0.1666667 0.2886751 0.2830899), wk = 0.0028818 k( 270) = ( 0.1607143 0.2783653 0.2830899), wk = 0.0028818 k( 271) = ( 0.1547619 0.2680555 0.2830899), wk = 0.0028818 k( 272) = ( 0.1488095 0.2577456 0.2830899), wk = 0.0028818 k( 273) = ( 0.1428571 0.2474358 0.2830899), wk = 0.0028818 k( 274) = ( 0.1369048 0.2371260 0.2830899), wk = 0.0028818 k( 275) = ( 0.1309524 0.2268162 0.2830899), wk = 0.0028818 k( 276) = ( 0.1250000 0.2165064 0.2830899), wk = 0.0028818 k( 277) = ( 0.1190476 0.2061965 0.2830899), wk = 0.0028818 k( 278) = ( 0.1130952 0.1958867 0.2830899), wk = 0.0028818 k( 279) = ( 0.1071429 0.1855769 0.2830899), wk = 0.0028818 k( 280) = ( 0.1011905 0.1752671 0.2830899), wk = 0.0028818 k( 281) = ( 0.0952381 0.1649572 0.2830899), wk = 0.0028818 k( 282) = ( 0.0892857 0.1546474 0.2830899), wk = 0.0028818 k( 283) = ( 0.0833333 0.1443376 0.2830899), wk = 0.0028818 k( 284) = ( 0.0773810 0.1340277 0.2830899), wk = 0.0028818 k( 285) = ( 0.0714286 0.1237179 0.2830899), wk = 0.0028818 k( 286) = ( 0.0654762 0.1134081 0.2830899), wk = 0.0028818 k( 287) = ( 0.0595238 0.1030983 0.2830899), wk = 0.0028818 k( 288) = ( 0.0535714 0.0927884 0.2830899), wk = 0.0028818 k( 289) = ( 0.0476191 0.0824786 0.2830899), wk = 0.0028818 k( 290) = ( 0.0416667 0.0721688 0.2830899), wk = 0.0028818 k( 291) = ( 0.0357143 0.0618590 0.2830899), wk = 0.0028818 k( 292) = ( 0.0297619 0.0515491 0.2830899), wk = 0.0028818 k( 293) = ( 0.0238095 0.0412393 0.2830899), wk = 0.0028818 k( 294) = ( 0.0178571 0.0309295 0.2830899), wk = 0.0028818 k( 295) = ( 0.0119048 0.0206196 0.2830899), wk = 0.0028818 k( 296) = ( 0.0059524 0.0103098 0.2830899), wk = 0.0028818 k( 297) = ( 0.0000000 0.0000000 0.2830899), wk = 0.0028818 k( 298) = ( 0.5000000 0.2886751 0.2830899), wk = 0.0028818 k( 299) = ( 0.5000000 0.2886751 0.2712945), wk = 0.0028818 k( 300) = ( 0.5000000 0.2886751 0.2594991), wk = 0.0028818 k( 301) = ( 0.5000000 0.2886751 0.2477037), wk = 0.0028818 k( 302) = ( 0.5000000 0.2886751 0.2359082), wk = 0.0028818 k( 303) = ( 0.5000000 0.2886751 0.2241128), wk = 0.0028818 k( 304) = ( 0.5000000 0.2886751 0.2123174), wk = 0.0028818 k( 305) = ( 0.5000000 0.2886751 0.2005220), wk = 0.0028818 k( 306) = ( 0.5000000 0.2886751 0.1887266), wk = 0.0028818 k( 307) = ( 0.5000000 0.2886751 0.1769312), wk = 0.0028818 k( 308) = ( 0.5000000 0.2886751 0.1651358), wk = 0.0028818 k( 309) = ( 0.5000000 0.2886751 0.1533404), wk = 0.0028818 k( 310) = ( 0.5000000 0.2886751 0.1415449), wk = 0.0028818 k( 311) = ( 0.5000000 0.2886751 0.1297495), wk = 0.0028818 k( 312) = ( 0.5000000 0.2886751 0.1179541), wk = 0.0028818 k( 313) = ( 0.5000000 0.2886751 0.1061587), wk = 0.0028818 k( 314) = ( 0.5000000 0.2886751 0.0943633), wk = 0.0028818 k( 315) = ( 0.5000000 0.2886751 0.0825679), wk = 0.0028818 k( 316) = ( 0.5000000 0.2886751 0.0707725), wk = 0.0028818 k( 317) = ( 0.5000000 0.2886751 0.0589771), wk = 0.0028818 k( 318) = ( 0.5000000 0.2886751 0.0471816), wk = 0.0028818 k( 319) = ( 0.5000000 0.2886751 0.0353862), wk = 0.0028818 k( 320) = ( 0.5000000 0.2886751 0.0235908), wk = 0.0028818 k( 321) = ( 0.5000000 0.2886751 0.0117954), wk = 0.0028818 k( 322) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028818 k( 323) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028818 k( 324) = ( 0.3333333 0.5773503 0.0117954), wk = 0.0028818 k( 325) = ( 0.3333333 0.5773503 0.0235908), wk = 0.0028818 k( 326) = ( 0.3333333 0.5773503 0.0353862), wk = 0.0028818 k( 327) = ( 0.3333333 0.5773503 0.0471816), wk = 0.0028818 k( 328) = ( 0.3333333 0.5773503 0.0589771), wk = 0.0028818 k( 329) = ( 0.3333333 0.5773503 0.0707725), wk = 0.0028818 k( 330) = ( 0.3333333 0.5773503 0.0825679), wk = 0.0028818 k( 331) = ( 0.3333333 0.5773503 0.0943633), wk = 0.0028818 k( 332) = ( 0.3333333 0.5773503 0.1061587), wk = 0.0028818 k( 333) = ( 0.3333333 0.5773503 0.1179541), wk = 0.0028818 k( 334) = ( 0.3333333 0.5773503 0.1297495), wk = 0.0028818 k( 335) = ( 0.3333333 0.5773503 0.1415449), wk = 0.0028818 k( 336) = ( 0.3333333 0.5773503 0.1533404), wk = 0.0028818 k( 337) = ( 0.3333333 0.5773503 0.1651358), wk = 0.0028818 k( 338) = ( 0.3333333 0.5773503 0.1769312), wk = 0.0028818 k( 339) = ( 0.3333333 0.5773503 0.1887266), wk = 0.0028818 k( 340) = ( 0.3333333 0.5773503 0.2005220), wk = 0.0028818 k( 341) = ( 0.3333333 0.5773503 0.2123174), wk = 0.0028818 k( 342) = ( 0.3333333 0.5773503 0.2241128), wk = 0.0028818 k( 343) = ( 0.3333333 0.5773503 0.2359082), wk = 0.0028818 k( 344) = ( 0.3333333 0.5773503 0.2477037), wk = 0.0028818 k( 345) = ( 0.3333333 0.5773503 0.2594991), wk = 0.0028818 k( 346) = ( 0.3333333 0.5773503 0.2712945), wk = 0.0028818 k( 347) = ( 0.3333333 0.5773503 0.2830899), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0102041 -0.0000000 0.0000000), wk = 0.0028818 k( 3) = ( 0.0204082 -0.0000000 0.0000000), wk = 0.0028818 k( 4) = ( 0.0306122 -0.0000000 0.0000000), wk = 0.0028818 k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0028818 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0028818 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0028818 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0028818 k( 9) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0028818 k( 10) = ( 0.0918367 0.0000000 -0.0000000), wk = 0.0028818 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0028818 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0028818 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0028818 k( 14) = ( 0.1326531 0.0000000 0.0000000), wk = 0.0028818 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0028818 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0028818 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0028818 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0028818 k( 19) = ( 0.1836735 0.0000000 -0.0000000), wk = 0.0028818 k( 20) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0028818 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0028818 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0028818 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0028818 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0028818 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0028818 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0028818 k( 27) = ( 0.2653061 0.0000000 0.0000000), wk = 0.0028818 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0028818 k( 29) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0028818 k( 30) = ( 0.2959184 0.0000000 -0.0000000), wk = 0.0028818 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0028818 k( 32) = ( 0.3163265 -0.0000000 0.0000000), wk = 0.0028818 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0028818 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0028818 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0028818 k( 36) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0028818 k( 37) = ( 0.3673469 0.0000000 -0.0000000), wk = 0.0028818 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0028818 k( 39) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0028818 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0028818 k( 41) = ( 0.4081633 0.0000000 0.0000000), wk = 0.0028818 k( 42) = ( 0.4183674 0.0000000 -0.0000000), wk = 0.0028818 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0028818 k( 44) = ( 0.4387755 0.0000000 0.0000000), wk = 0.0028818 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0028818 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0028818 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0028818 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0028818 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0028818 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028818 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028818 k( 52) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0028818 k( 53) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0028818 k( 54) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0028818 k( 55) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0028818 k( 56) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0028818 k( 57) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0028818 k( 58) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028818 k( 59) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0028818 k( 60) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0028818 k( 61) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0028818 k( 62) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0028818 k( 63) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0028818 k( 64) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0028818 k( 65) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028818 k( 66) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0028818 k( 67) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0028818 k( 68) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0028818 k( 69) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0028818 k( 70) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0028818 k( 71) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0028818 k( 72) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0028818 k( 73) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0028818 k( 74) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0028818 k( 75) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0028818 k( 76) = ( 0.3511905 0.2976191 0.0000000), wk = 0.0028818 k( 77) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0028818 k( 78) = ( 0.3392857 0.3214286 -0.0000000), wk = 0.0028818 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028818 k( 80) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028818 k( 81) = ( 0.3273810 0.3273810 -0.0000000), wk = 0.0028818 k( 82) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0028818 k( 83) = ( 0.3154762 0.3154762 0.0000000), wk = 0.0028818 k( 84) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0028818 k( 85) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0028818 k( 86) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0028818 k( 87) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0028818 k( 88) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0028818 k( 89) = ( 0.2797619 0.2797619 -0.0000000), wk = 0.0028818 k( 90) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0028818 k( 91) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0028818 k( 92) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0028818 k( 93) = ( 0.2559524 0.2559524 0.0000000), wk = 0.0028818 k( 94) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028818 k( 95) = ( 0.2440476 0.2440476 0.0000000), wk = 0.0028818 k( 96) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0028818 k( 97) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0028818 k( 98) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0028818 k( 99) = ( 0.2202381 0.2202381 -0.0000000), wk = 0.0028818 k( 100) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0028818 k( 101) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0028818 k( 102) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0028818 k( 103) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0028818 k( 104) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0028818 k( 105) = ( 0.1845238 0.1845238 0.0000000), wk = 0.0028818 k( 106) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0028818 k( 107) = ( 0.1726190 0.1726190 0.0000000), wk = 0.0028818 k( 108) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028818 k( 109) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028818 k( 110) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0028818 k( 111) = ( 0.1488095 0.1488095 0.0000000), wk = 0.0028818 k( 112) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028818 k( 113) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0028818 k( 114) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0028818 k( 115) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028818 k( 116) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0028818 k( 117) = ( 0.1130952 0.1130952 0.0000000), wk = 0.0028818 k( 118) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028818 k( 119) = ( 0.1011905 0.1011905 0.0000000), wk = 0.0028818 k( 120) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0028818 k( 121) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028818 k( 122) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028818 k( 123) = ( 0.0773810 0.0773810 0.0000000), wk = 0.0028818 k( 124) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028818 k( 125) = ( 0.0654762 0.0654762 0.0000000), wk = 0.0028818 k( 126) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0028818 k( 127) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0028818 k( 128) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0028818 k( 129) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0028818 k( 130) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028818 k( 131) = ( 0.0297619 0.0297619 0.0000000), wk = 0.0028818 k( 132) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0028818 k( 133) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0028818 k( 134) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0028818 k( 135) = ( 0.0059524 0.0059524 -0.0000000), wk = 0.0028818 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 138) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0028818 k( 139) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0028818 k( 140) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028818 k( 141) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028818 k( 142) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0028818 k( 143) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028818 k( 144) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0028818 k( 145) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028818 k( 146) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028818 k( 147) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0028818 k( 148) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0028818 k( 149) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028818 k( 150) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0028818 k( 151) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0028818 k( 152) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028818 k( 153) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028818 k( 154) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0028818 k( 155) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028818 k( 156) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028818 k( 159) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0028818 k( 160) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0028818 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 163) = ( 0.0102041 -0.0000000 0.5000000), wk = 0.0028818 k( 164) = ( 0.0204082 -0.0000000 0.5000000), wk = 0.0028818 k( 165) = ( 0.0306122 -0.0000000 0.5000000), wk = 0.0028818 k( 166) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0028818 k( 167) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0028818 k( 168) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0028818 k( 169) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0028818 k( 170) = ( 0.0816327 -0.0000000 0.5000000), wk = 0.0028818 k( 171) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0028818 k( 172) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0028818 k( 173) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0028818 k( 174) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0028818 k( 175) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0028818 k( 176) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0028818 k( 177) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0028818 k( 178) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0028818 k( 179) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0028818 k( 180) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0028818 k( 181) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0028818 k( 182) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0028818 k( 183) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0028818 k( 184) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0028818 k( 185) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0028818 k( 186) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0028818 k( 187) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0028818 k( 188) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0028818 k( 189) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0028818 k( 190) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028818 k( 191) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0028818 k( 192) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0028818 k( 193) = ( 0.3163265 -0.0000000 0.5000000), wk = 0.0028818 k( 194) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0028818 k( 195) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0028818 k( 196) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0028818 k( 197) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0028818 k( 198) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0028818 k( 199) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0028818 k( 200) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0028818 k( 201) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0028818 k( 202) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0028818 k( 203) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0028818 k( 204) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028818 k( 205) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0028818 k( 206) = ( 0.4489796 0.0000000 0.5000000), wk = 0.0028818 k( 207) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0028818 k( 208) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0028818 k( 209) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0028818 k( 210) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0028818 k( 211) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 212) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 213) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028818 k( 214) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028818 k( 215) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028818 k( 216) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0028818 k( 217) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028818 k( 218) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028818 k( 219) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028818 k( 220) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028818 k( 221) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028818 k( 222) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028818 k( 223) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028818 k( 224) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028818 k( 225) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028818 k( 226) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028818 k( 227) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028818 k( 228) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028818 k( 229) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0028818 k( 230) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028818 k( 231) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028818 k( 232) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028818 k( 233) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028818 k( 234) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028818 k( 235) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028818 k( 236) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028818 k( 237) = ( 0.3511905 0.2976191 0.5000000), wk = 0.0028818 k( 238) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028818 k( 239) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028818 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028818 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028818 k( 242) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0028818 k( 243) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028818 k( 244) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0028818 k( 245) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0028818 k( 246) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028818 k( 247) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0028818 k( 248) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028818 k( 249) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028818 k( 250) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0028818 k( 251) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0028818 k( 252) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028818 k( 253) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0028818 k( 254) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0028818 k( 255) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028818 k( 256) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0028818 k( 257) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0028818 k( 258) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028818 k( 259) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0028818 k( 260) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0028818 k( 261) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028818 k( 262) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028818 k( 263) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0028818 k( 264) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028818 k( 265) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0028818 k( 266) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0028818 k( 267) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028818 k( 268) = ( 0.1726190 0.1726190 0.5000000), wk = 0.0028818 k( 269) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028818 k( 270) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028818 k( 271) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0028818 k( 272) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0028818 k( 273) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028818 k( 274) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0028818 k( 275) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0028818 k( 276) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028818 k( 277) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0028818 k( 278) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0028818 k( 279) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028818 k( 280) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0028818 k( 281) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0028818 k( 282) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028818 k( 283) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028818 k( 284) = ( 0.0773810 0.0773810 0.5000000), wk = 0.0028818 k( 285) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028818 k( 286) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0028818 k( 287) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0028818 k( 288) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028818 k( 289) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0028818 k( 290) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028818 k( 291) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028818 k( 292) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0028818 k( 293) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0028818 k( 294) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028818 k( 295) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0028818 k( 296) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0028818 k( 297) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 299) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0028818 k( 300) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0028818 k( 301) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0028818 k( 302) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0028818 k( 303) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0028818 k( 304) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0028818 k( 305) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0028818 k( 306) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0028818 k( 307) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0028818 k( 308) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0028818 k( 309) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0028818 k( 310) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028818 k( 311) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0028818 k( 312) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0028818 k( 313) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0028818 k( 314) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0028818 k( 315) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0028818 k( 316) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0028818 k( 317) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0028818 k( 318) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0028818 k( 319) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0028818 k( 320) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0028818 k( 321) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0028818 k( 322) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028818 k( 323) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028818 k( 324) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0028818 k( 325) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0028818 k( 326) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0028818 k( 327) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0028818 k( 328) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0028818 k( 329) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0028818 k( 330) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0028818 k( 331) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0028818 k( 332) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0028818 k( 333) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0028818 k( 334) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0028818 k( 335) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028818 k( 336) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0028818 k( 337) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0028818 k( 338) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0028818 k( 339) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028818 k( 340) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0028818 k( 341) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0028818 k( 342) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0028818 k( 343) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0028818 k( 344) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0028818 k( 345) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0028818 k( 346) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0028818 k( 347) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028818 Dense grid: 238221 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 54125 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 400, 36) NL pseudopotentials 0.40 Mb ( 200, 130) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 6618) G-vector shells 0.02 Mb ( 2970) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 400, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.14 Mb ( 130, 2, 36) The potential is recalculated from file : ./CaxBePx2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.6 secs Computing kpt #: 13 total cpu time spent up to now is 10.2 secs Computing kpt #: 14 total cpu time spent up to now is 10.8 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.3 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.6 secs Computing kpt #: 19 total cpu time spent up to now is 14.2 secs Computing kpt #: 20 total cpu time spent up to now is 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.9 secs Computing kpt #: 23 total cpu time spent up to now is 16.5 secs Computing kpt #: 24 total cpu time spent up to now is 17.2 secs Computing kpt #: 25 total cpu time spent up to now is 17.8 secs Computing kpt #: 26 total cpu time spent up to now is 18.4 secs Computing kpt #: 27 total cpu time spent up to now is 19.0 secs Computing kpt #: 28 total cpu time spent up to now is 19.6 secs Computing kpt #: 29 total cpu time spent up to now is 20.1 secs Computing kpt #: 30 total cpu time spent up to now is 20.8 secs Computing kpt #: 31 total cpu time spent up to now is 21.5 secs Computing kpt #: 32 total cpu time spent up to now is 22.3 secs Computing kpt #: 33 total cpu time spent up to now is 23.1 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.3 secs Computing kpt #: 35 total cpu time spent up to now is 24.9 secs Computing kpt #: 36 total cpu time spent up to now is 25.6 secs Computing kpt #: 37 total cpu time spent up to now is 26.1 secs Computing kpt #: 38 total cpu time spent up to now is 26.6 secs Computing kpt #: 39 total cpu time spent up to now is 27.1 secs Computing kpt #: 40 total cpu time spent up to now is 27.6 secs Computing kpt #: 41 total cpu time spent up to now is 28.1 secs Computing kpt #: 42 total cpu time spent up to now is 28.7 secs Computing kpt #: 43 total cpu time spent up to now is 29.3 secs Computing kpt #: 44 total cpu time spent up to now is 30.0 secs Computing kpt #: 45 total cpu time spent up to now is 30.6 secs Computing kpt #: 46 total cpu time spent up to now is 31.3 secs Computing kpt #: 47 total cpu time spent up to now is 32.0 secs Computing kpt #: 48 total cpu time spent up to now is 32.8 secs Computing kpt #: 49 total cpu time spent up to now is 33.5 secs Computing kpt #: 50 total cpu time spent up to now is 34.3 secs Computing kpt #: 51 total cpu time spent up to now is 35.1 secs Computing kpt #: 52 total cpu time spent up to now is 36.0 secs Computing kpt #: 53 total cpu time spent up to now is 36.9 secs Computing kpt #: 54 total cpu time spent up to now is 37.9 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 39.2 secs Computing kpt #: 56 total cpu time spent up to now is 39.9 secs Computing kpt #: 57 total cpu time spent up to now is 40.5 secs Computing kpt #: 58 total cpu time spent up to now is 41.2 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.5 secs Computing kpt #: 60 total cpu time spent up to now is 43.2 secs Computing kpt #: 61 total cpu time spent up to now is 43.8 secs Computing kpt #: 62 total cpu time spent up to now is 44.5 secs Computing kpt #: 63 total cpu time spent up to now is 45.1 secs Computing kpt #: 64 total cpu time spent up to now is 45.7 secs Computing kpt #: 65 total cpu time spent up to now is 46.2 secs Computing kpt #: 66 total cpu time spent up to now is 46.8 secs Computing kpt #: 67 total cpu time spent up to now is 47.4 secs Computing kpt #: 68 total cpu time spent up to now is 48.0 secs Computing kpt #: 69 total cpu time spent up to now is 48.6 secs Computing kpt #: 70 total cpu time spent up to now is 49.1 secs Computing kpt #: 71 total cpu time spent up to now is 49.7 secs Computing kpt #: 72 total cpu time spent up to now is 50.2 secs Computing kpt #: 73 total cpu time spent up to now is 50.7 secs Computing kpt #: 74 total cpu time spent up to now is 51.2 secs Computing kpt #: 75 total cpu time spent up to now is 51.8 secs Computing kpt #: 76 total cpu time spent up to now is 52.3 secs Computing kpt #: 77 total cpu time spent up to now is 52.8 secs Computing kpt #: 78 total cpu time spent up to now is 53.4 secs Computing kpt #: 79 total cpu time spent up to now is 53.9 secs Computing kpt #: 80 total cpu time spent up to now is 54.8 secs Computing kpt #: 81 total cpu time spent up to now is 55.3 secs Computing kpt #: 82 total cpu time spent up to now is 55.9 secs Computing kpt #: 83 total cpu time spent up to now is 56.5 secs Computing kpt #: 84 total cpu time spent up to now is 57.2 secs Computing kpt #: 85 total cpu time spent up to now is 57.7 secs Computing kpt #: 86 total cpu time spent up to now is 58.5 secs Computing kpt #: 87 total cpu time spent up to now is 59.0 secs Computing kpt #: 88 total cpu time spent up to now is 59.7 secs Computing kpt #: 89 total cpu time spent up to now is 60.3 secs Computing kpt #: 90 total cpu time spent up to now is 61.0 secs Computing kpt #: 91 total cpu time spent up to now is 61.6 secs Computing kpt #: 92 total cpu time spent up to now is 62.3 secs Computing kpt #: 93 total cpu time spent up to now is 63.0 secs Computing kpt #: 94 total cpu time spent up to now is 63.7 secs Computing kpt #: 95 total cpu time spent up to now is 64.4 secs Computing kpt #: 96 total cpu time spent up to now is 65.1 secs Computing kpt #: 97 total cpu time spent up to now is 65.8 secs Computing kpt #: 98 total cpu time spent up to now is 66.5 secs Computing kpt #: 99 total cpu time spent up to now is 67.2 secs Computing kpt #: 100 total cpu time spent up to now is 67.8 secs Computing kpt #: 101 total cpu time spent up to now is 68.4 secs Computing kpt #: 102 total cpu time spent up to now is 69.0 secs Computing kpt #: 103 total cpu time spent up to now is 69.6 secs Computing kpt #: 104 total cpu time spent up to now is 70.1 secs Computing kpt #: 105 total cpu time spent up to now is 70.7 secs Computing kpt #: 106 total cpu time spent up to now is 71.3 secs Computing kpt #: 107 total cpu time spent up to now is 71.8 secs Computing kpt #: 108 total cpu time spent up to now is 72.4 secs Computing kpt #: 109 total cpu time spent up to now is 72.9 secs Computing kpt #: 110 total cpu time spent up to now is 73.5 secs Computing kpt #: 111 total cpu time spent up to now is 74.0 secs Computing kpt #: 112 total cpu time spent up to now is 74.5 secs Computing kpt #: 113 total cpu time spent up to now is 75.0 secs Computing kpt #: 114 total cpu time spent up to now is 75.5 secs Computing kpt #: 115 total cpu time spent up to now is 76.0 secs Computing kpt #: 116 total cpu time spent up to now is 76.6 secs Computing kpt #: 117 total cpu time spent up to now is 77.1 secs Computing kpt #: 118 total cpu time spent up to now is 77.7 secs Computing kpt #: 119 total cpu time spent up to now is 78.3 secs Computing kpt #: 120 total cpu time spent up to now is 78.9 secs Computing kpt #: 121 total cpu time spent up to now is 79.5 secs Computing kpt #: 122 total cpu time spent up to now is 80.1 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.4 secs Computing kpt #: 124 total cpu time spent up to now is 82.4 secs Computing kpt #: 125 total cpu time spent up to now is 83.1 secs Computing kpt #: 126 total cpu time spent up to now is 83.8 secs Computing kpt #: 127 total cpu time spent up to now is 84.4 secs Computing kpt #: 128 total cpu time spent up to now is 85.1 secs Computing kpt #: 129 total cpu time spent up to now is 85.7 secs Computing kpt #: 130 total cpu time spent up to now is 86.3 secs Computing kpt #: 131 total cpu time spent up to now is 86.9 secs Computing kpt #: 132 total cpu time spent up to now is 87.5 secs Computing kpt #: 133 total cpu time spent up to now is 88.0 secs Computing kpt #: 134 total cpu time spent up to now is 88.5 secs Computing kpt #: 135 total cpu time spent up to now is 89.0 secs Computing kpt #: 136 total cpu time spent up to now is 89.6 secs Computing kpt #: 137 total cpu time spent up to now is 90.1 secs Computing kpt #: 138 total cpu time spent up to now is 90.6 secs Computing kpt #: 139 total cpu time spent up to now is 91.2 secs Computing kpt #: 140 total cpu time spent up to now is 91.7 secs Computing kpt #: 141 total cpu time spent up to now is 92.3 secs Computing kpt #: 142 total cpu time spent up to now is 92.9 secs Computing kpt #: 143 total cpu time spent up to now is 93.4 secs Computing kpt #: 144 total cpu time spent up to now is 94.0 secs Computing kpt #: 145 total cpu time spent up to now is 94.6 secs Computing kpt #: 146 total cpu time spent up to now is 95.2 secs Computing kpt #: 147 total cpu time spent up to now is 95.7 secs Computing kpt #: 148 total cpu time spent up to now is 96.3 secs Computing kpt #: 149 total cpu time spent up to now is 96.9 secs Computing kpt #: 150 total cpu time spent up to now is 97.4 secs Computing kpt #: 151 total cpu time spent up to now is 98.0 secs Computing kpt #: 152 total cpu time spent up to now is 98.5 secs Computing kpt #: 153 total cpu time spent up to now is 99.0 secs Computing kpt #: 154 total cpu time spent up to now is 99.6 secs Computing kpt #: 155 total cpu time spent up to now is 100.1 secs Computing kpt #: 156 total cpu time spent up to now is 100.6 secs Computing kpt #: 157 total cpu time spent up to now is 101.1 secs Computing kpt #: 158 total cpu time spent up to now is 101.6 secs Computing kpt #: 159 total cpu time spent up to now is 102.1 secs Computing kpt #: 160 total cpu time spent up to now is 102.6 secs Computing kpt #: 161 total cpu time spent up to now is 103.1 secs Computing kpt #: 162 total cpu time spent up to now is 103.6 secs Computing kpt #: 163 total cpu time spent up to now is 104.1 secs Computing kpt #: 164 total cpu time spent up to now is 104.6 secs Computing kpt #: 165 total cpu time spent up to now is 105.1 secs Computing kpt #: 166 total cpu time spent up to now is 105.6 secs Computing kpt #: 167 total cpu time spent up to now is 106.1 secs Computing kpt #: 168 total cpu time spent up to now is 106.6 secs Computing kpt #: 169 total cpu time spent up to now is 107.1 secs Computing kpt #: 170 total cpu time spent up to now is 107.7 secs Computing kpt #: 171 total cpu time spent up to now is 108.3 secs Computing kpt #: 172 total cpu time spent up to now is 108.9 secs Computing kpt #: 173 total cpu time spent up to now is 109.5 secs Computing kpt #: 174 total cpu time spent up to now is 110.1 secs Computing kpt #: 175 total cpu time spent up to now is 110.8 secs Computing kpt #: 176 total cpu time spent up to now is 111.4 secs Computing kpt #: 177 total cpu time spent up to now is 112.0 secs Computing kpt #: 178 total cpu time spent up to now is 112.6 secs Computing kpt #: 179 total cpu time spent up to now is 113.2 secs Computing kpt #: 180 total cpu time spent up to now is 113.8 secs Computing kpt #: 181 total cpu time spent up to now is 114.4 secs Computing kpt #: 182 total cpu time spent up to now is 115.0 secs Computing kpt #: 183 total cpu time spent up to now is 115.6 secs Computing kpt #: 184 total cpu time spent up to now is 116.2 secs Computing kpt #: 185 total cpu time spent up to now is 116.7 secs Computing kpt #: 186 total cpu time spent up to now is 117.4 secs Computing kpt #: 187 total cpu time spent up to now is 118.0 secs Computing kpt #: 188 total cpu time spent up to now is 118.7 secs Computing kpt #: 189 total cpu time spent up to now is 119.5 secs Computing kpt #: 190 total cpu time spent up to now is 120.1 secs Computing kpt #: 191 total cpu time spent up to now is 120.8 secs Computing kpt #: 192 total cpu time spent up to now is 121.4 secs Computing kpt #: 193 total cpu time spent up to now is 122.1 secs Computing kpt #: 194 total cpu time spent up to now is 122.7 secs Computing kpt #: 195 total cpu time spent up to now is 123.4 secs Computing kpt #: 196 total cpu time spent up to now is 124.0 secs Computing kpt #: 197 total cpu time spent up to now is 124.7 secs Computing kpt #: 198 total cpu time spent up to now is 125.3 secs Computing kpt #: 199 total cpu time spent up to now is 126.0 secs Computing kpt #: 200 total cpu time spent up to now is 126.6 secs Computing kpt #: 201 total cpu time spent up to now is 127.2 secs Computing kpt #: 202 total cpu time spent up to now is 128.0 secs Computing kpt #: 203 total cpu time spent up to now is 128.6 secs Computing kpt #: 204 total cpu time spent up to now is 129.3 secs Computing kpt #: 205 total cpu time spent up to now is 130.0 secs Computing kpt #: 206 total cpu time spent up to now is 130.6 secs Computing kpt #: 207 total cpu time spent up to now is 131.3 secs Computing kpt #: 208 total cpu time spent up to now is 131.9 secs Computing kpt #: 209 total cpu time spent up to now is 132.6 secs Computing kpt #: 210 total cpu time spent up to now is 133.4 secs Computing kpt #: 211 total cpu time spent up to now is 134.0 secs Computing kpt #: 212 total cpu time spent up to now is 134.7 secs Computing kpt #: 213 total cpu time spent up to now is 135.4 secs Computing kpt #: 214 total cpu time spent up to now is 136.0 secs Computing kpt #: 215 total cpu time spent up to now is 136.6 secs Computing kpt #: 216 total cpu time spent up to now is 137.1 secs Computing kpt #: 217 total cpu time spent up to now is 137.7 secs Computing kpt #: 218 total cpu time spent up to now is 138.3 secs Computing kpt #: 219 total cpu time spent up to now is 138.8 secs Computing kpt #: 220 total cpu time spent up to now is 139.4 secs Computing kpt #: 221 total cpu time spent up to now is 140.0 secs Computing kpt #: 222 total cpu time spent up to now is 140.6 secs Computing kpt #: 223 total cpu time spent up to now is 141.2 secs Computing kpt #: 224 total cpu time spent up to now is 141.9 secs Computing kpt #: 225 total cpu time spent up to now is 142.5 secs Computing kpt #: 226 total cpu time spent up to now is 143.2 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.4 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 145.7 secs Computing kpt #: 229 total cpu time spent up to now is 146.4 secs Computing kpt #: 230 total cpu time spent up to now is 147.1 secs Computing kpt #: 231 total cpu time spent up to now is 147.8 secs Computing kpt #: 232 total cpu time spent up to now is 148.3 secs Computing kpt #: 233 total cpu time spent up to now is 148.9 secs Computing kpt #: 234 total cpu time spent up to now is 149.5 secs Computing kpt #: 235 total cpu time spent up to now is 150.1 secs Computing kpt #: 236 total cpu time spent up to now is 150.6 secs Computing kpt #: 237 total cpu time spent up to now is 151.2 secs Computing kpt #: 238 total cpu time spent up to now is 151.7 secs Computing kpt #: 239 total cpu time spent up to now is 152.2 secs Computing kpt #: 240 total cpu time spent up to now is 152.8 secs Computing kpt #: 241 total cpu time spent up to now is 153.3 secs Computing kpt #: 242 total cpu time spent up to now is 153.8 secs Computing kpt #: 243 total cpu time spent up to now is 154.4 secs Computing kpt #: 244 total cpu time spent up to now is 154.9 secs Computing kpt #: 245 total cpu time spent up to now is 155.5 secs Computing kpt #: 246 total cpu time spent up to now is 156.1 secs Computing kpt #: 247 total cpu time spent up to now is 156.6 secs Computing kpt #: 248 total cpu time spent up to now is 157.2 secs Computing kpt #: 249 total cpu time spent up to now is 157.8 secs Computing kpt #: 250 total cpu time spent up to now is 158.4 secs Computing kpt #: 251 total cpu time spent up to now is 159.0 secs Computing kpt #: 252 total cpu time spent up to now is 159.5 secs Computing kpt #: 253 total cpu time spent up to now is 160.1 secs Computing kpt #: 254 total cpu time spent up to now is 160.7 secs Computing kpt #: 255 total cpu time spent up to now is 161.3 secs Computing kpt #: 256 total cpu time spent up to now is 161.8 secs Computing kpt #: 257 total cpu time spent up to now is 162.4 secs Computing kpt #: 258 total cpu time spent up to now is 163.0 secs Computing kpt #: 259 total cpu time spent up to now is 163.5 secs Computing kpt #: 260 total cpu time spent up to now is 164.1 secs Computing kpt #: 261 total cpu time spent up to now is 164.7 secs Computing kpt #: 262 total cpu time spent up to now is 165.3 secs Computing kpt #: 263 total cpu time spent up to now is 166.0 secs Computing kpt #: 264 total cpu time spent up to now is 166.7 secs Computing kpt #: 265 total cpu time spent up to now is 167.4 secs Computing kpt #: 266 total cpu time spent up to now is 168.2 secs Computing kpt #: 267 total cpu time spent up to now is 169.1 secs Computing kpt #: 268 total cpu time spent up to now is 169.8 secs Computing kpt #: 269 total cpu time spent up to now is 170.5 secs Computing kpt #: 270 total cpu time spent up to now is 171.1 secs Computing kpt #: 271 total cpu time spent up to now is 171.8 secs Computing kpt #: 272 total cpu time spent up to now is 172.4 secs Computing kpt #: 273 total cpu time spent up to now is 173.0 secs Computing kpt #: 274 total cpu time spent up to now is 173.5 secs Computing kpt #: 275 total cpu time spent up to now is 174.1 secs Computing kpt #: 276 total cpu time spent up to now is 174.7 secs Computing kpt #: 277 total cpu time spent up to now is 175.3 secs Computing kpt #: 278 total cpu time spent up to now is 175.8 secs Computing kpt #: 279 total cpu time spent up to now is 176.4 secs Computing kpt #: 280 total cpu time spent up to now is 176.9 secs Computing kpt #: 281 total cpu time spent up to now is 177.5 secs Computing kpt #: 282 total cpu time spent up to now is 178.1 secs Computing kpt #: 283 total cpu time spent up to now is 178.7 secs Computing kpt #: 284 total cpu time spent up to now is 179.3 secs Computing kpt #: 285 total cpu time spent up to now is 179.9 secs Computing kpt #: 286 total cpu time spent up to now is 180.6 secs Computing kpt #: 287 total cpu time spent up to now is 181.2 secs Computing kpt #: 288 total cpu time spent up to now is 181.8 secs Computing kpt #: 289 total cpu time spent up to now is 182.3 secs Computing kpt #: 290 total cpu time spent up to now is 182.9 secs Computing kpt #: 291 total cpu time spent up to now is 183.4 secs Computing kpt #: 292 total cpu time spent up to now is 183.9 secs Computing kpt #: 293 total cpu time spent up to now is 184.4 secs Computing kpt #: 294 total cpu time spent up to now is 184.9 secs Computing kpt #: 295 total cpu time spent up to now is 185.4 secs Computing kpt #: 296 total cpu time spent up to now is 185.8 secs Computing kpt #: 297 total cpu time spent up to now is 186.3 secs Computing kpt #: 298 total cpu time spent up to now is 187.2 secs Computing kpt #: 299 total cpu time spent up to now is 188.0 secs Computing kpt #: 300 total cpu time spent up to now is 188.6 secs Computing kpt #: 301 total cpu time spent up to now is 189.3 secs Computing kpt #: 302 total cpu time spent up to now is 190.0 secs Computing kpt #: 303 total cpu time spent up to now is 190.8 secs Computing kpt #: 304 total cpu time spent up to now is 191.4 secs Computing kpt #: 305 total cpu time spent up to now is 192.0 secs Computing kpt #: 306 total cpu time spent up to now is 192.6 secs Computing kpt #: 307 total cpu time spent up to now is 193.2 secs Computing kpt #: 308 total cpu time spent up to now is 193.8 secs Computing kpt #: 309 total cpu time spent up to now is 194.5 secs Computing kpt #: 310 total cpu time spent up to now is 195.1 secs Computing kpt #: 311 total cpu time spent up to now is 195.8 secs Computing kpt #: 312 total cpu time spent up to now is 196.4 secs Computing kpt #: 313 total cpu time spent up to now is 197.1 secs Computing kpt #: 314 total cpu time spent up to now is 197.8 secs Computing kpt #: 315 total cpu time spent up to now is 198.6 secs Computing kpt #: 316 total cpu time spent up to now is 199.5 secs Computing kpt #: 317 total cpu time spent up to now is 200.4 secs Computing kpt #: 318 total cpu time spent up to now is 201.3 secs Computing kpt #: 319 total cpu time spent up to now is 202.0 secs Computing kpt #: 320 total cpu time spent up to now is 202.6 secs Computing kpt #: 321 total cpu time spent up to now is 203.4 secs Computing kpt #: 322 total cpu time spent up to now is 204.1 secs Computing kpt #: 323 total cpu time spent up to now is 204.7 secs Computing kpt #: 324 total cpu time spent up to now is 205.2 secs Computing kpt #: 325 total cpu time spent up to now is 205.8 secs Computing kpt #: 326 total cpu time spent up to now is 206.4 secs Computing kpt #: 327 total cpu time spent up to now is 207.0 secs Computing kpt #: 328 total cpu time spent up to now is 207.5 secs Computing kpt #: 329 total cpu time spent up to now is 208.4 secs Computing kpt #: 330 total cpu time spent up to now is 209.0 secs Computing kpt #: 331 total cpu time spent up to now is 209.7 secs Computing kpt #: 332 total cpu time spent up to now is 210.3 secs Computing kpt #: 333 total cpu time spent up to now is 210.9 secs Computing kpt #: 334 total cpu time spent up to now is 211.6 secs Computing kpt #: 335 total cpu time spent up to now is 212.2 secs Computing kpt #: 336 total cpu time spent up to now is 212.8 secs Computing kpt #: 337 total cpu time spent up to now is 213.4 secs Computing kpt #: 338 total cpu time spent up to now is 214.0 secs Computing kpt #: 339 total cpu time spent up to now is 214.5 secs Computing kpt #: 340 total cpu time spent up to now is 215.1 secs Computing kpt #: 341 total cpu time spent up to now is 215.7 secs Computing kpt #: 342 total cpu time spent up to now is 216.2 secs Computing kpt #: 343 total cpu time spent up to now is 216.8 secs Computing kpt #: 344 total cpu time spent up to now is 217.3 secs Computing kpt #: 345 total cpu time spent up to now is 217.8 secs Computing kpt #: 346 total cpu time spent up to now is 218.3 secs Computing kpt #: 347 total cpu time spent up to now is 218.9 secs ethr = 3.57E-08, avg # of iterations = 38.5 total cpu time spent up to now is 218.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6761 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7692 -13.7692 -13.6863 -13.6863 -4.2507 -4.2507 -2.6500 -2.6500 1.9738 1.9738 5.9793 5.9793 6.0076 6.0076 7.2299 7.2299 7.5169 7.5169 7.5556 7.5556 9.0646 9.0646 10.1531 10.1531 10.1560 10.1560 10.3600 10.3600 k = 0.0102 0.0059-0.0000 ( 6745 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8196 -32.8196 -14.1204 -14.1204 -13.7693 -13.7693 -13.6865 -13.6865 -4.2496 -4.2496 -2.6495 -2.6495 1.9751 1.9751 5.9751 5.9751 6.0037 6.0037 7.2275 7.2275 7.5098 7.5098 7.5490 7.5490 9.0663 9.0663 10.1578 10.1578 10.1611 10.1611 10.3653 10.3653 k = 0.0204 0.0118-0.0000 ( 6739 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8196 -32.8196 -14.1205 -14.1205 -13.7694 -13.7694 -13.6869 -13.6869 -4.2463 -4.2463 -2.6479 -2.6479 1.9791 1.9791 5.9602 5.9602 5.9946 5.9946 7.2200 7.2200 7.4859 7.4859 7.5324 7.5324 9.0714 9.0714 10.1702 10.1702 10.1775 10.1775 10.3806 10.3806 k = 0.0306 0.0177-0.0000 ( 6745 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8195 -32.8195 -14.1207 -14.1207 -13.7696 -13.7696 -13.6876 -13.6876 -4.2409 -4.2409 -2.6453 -2.6453 1.9857 1.9857 5.9314 5.9314 5.9837 5.9837 7.2070 7.2070 7.4421 7.4421 7.5110 7.5110 9.0795 9.0795 10.1898 10.1898 10.2044 10.2044 10.4043 10.4043 k = 0.0408 0.0236-0.0000 ( 6753 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8194 -32.8194 -14.1209 -14.1209 -13.7699 -13.7699 -13.6886 -13.6886 -4.2333 -4.2333 -2.6416 -2.6416 1.9950 1.9950 5.8891 5.8891 5.9716 5.9716 7.1875 7.1875 7.3813 7.3813 7.4857 7.4857 9.0903 9.0903 10.2162 10.2162 10.2401 10.2401 10.4334 10.4334 k = 0.0510 0.0295-0.0000 ( 6745 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8192 -32.8192 -14.1212 -14.1212 -13.7703 -13.7703 -13.6898 -13.6898 -4.2236 -4.2236 -2.6369 -2.6369 2.0069 2.0069 5.8348 5.8348 5.9573 5.9573 7.1580 7.1580 7.3106 7.3106 7.4557 7.4557 9.1034 9.1034 10.2486 10.2486 10.2827 10.2827 10.4634 10.4634 k = 0.0612 0.0353-0.0000 ( 6745 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8190 -32.8190 -14.1216 -14.1216 -13.7708 -13.7708 -13.6913 -13.6913 -4.2117 -4.2117 -2.6312 -2.6312 2.0215 2.0215 5.7699 5.7699 5.9408 5.9408 7.1103 7.1103 7.2413 7.2413 7.4211 7.4211 9.1184 9.1184 10.2861 10.2861 10.3307 10.3307 10.4883 10.4883 k = 0.0714 0.0412-0.0000 ( 6753 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8187 -32.8187 -14.1221 -14.1221 -13.7714 -13.7714 -13.6931 -13.6931 -4.1977 -4.1977 -2.6245 -2.6245 2.0386 2.0386 5.6956 5.6956 5.9217 5.9217 7.0344 7.0344 7.1862 7.1862 7.3823 7.3823 9.1348 9.1348 10.3275 10.3275 10.3823 10.3823 10.5019 10.5019 k = 0.0816 0.0471-0.0000 ( 6759 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8185 -32.8185 -14.1227 -14.1227 -13.7721 -13.7721 -13.6950 -13.6950 -4.1816 -4.1816 -2.6168 -2.6168 2.0583 2.0583 5.6129 5.6129 5.9004 5.9004 6.9344 6.9344 7.1435 7.1435 7.3397 7.3397 9.1524 9.1524 10.3717 10.3717 10.4354 10.4354 10.5007 10.5007 k = 0.0918 0.0530-0.0000 ( 6753 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8182 -32.8182 -14.1233 -14.1233 -13.7729 -13.7729 -13.6972 -13.6972 -4.1634 -4.1634 -2.6082 -2.6082 2.0806 2.0806 5.5228 5.5228 5.8768 5.8768 6.8204 6.8204 7.1050 7.1050 7.2939 7.2939 9.1706 9.1706 10.4174 10.4174 10.4710 10.4710 10.5032 10.5032 k = 0.1020 0.0589-0.0000 ( 6751 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8178 -32.8178 -14.1240 -14.1240 -13.7737 -13.7737 -13.6995 -13.6995 -4.1432 -4.1432 -2.5986 -2.5986 2.1053 2.1053 5.4263 5.4263 5.8511 5.8511 6.6983 6.6983 7.0667 7.0667 7.2455 7.2455 9.1890 9.1890 10.4475 10.4475 10.4638 10.4638 10.5539 10.5539 k = 0.1122 0.0648-0.0000 ( 6751 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8174 -32.8174 -14.1249 -14.1249 -13.7747 -13.7747 -13.7020 -13.7020 -4.1209 -4.1209 -2.5881 -2.5881 2.1326 2.1326 5.3243 5.3243 5.8235 5.8235 6.5710 6.5710 7.0271 7.0271 7.1949 7.1949 9.2069 9.2069 10.4119 10.4119 10.5096 10.5096 10.6103 10.6103 k = 0.1224 0.0707-0.0000 ( 6739 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8170 -32.8170 -14.1258 -14.1258 -13.7758 -13.7758 -13.7046 -13.7046 -4.0966 -4.0966 -2.5767 -2.5767 2.1623 2.1623 5.2176 5.2176 5.7942 5.7942 6.4403 6.4403 6.9858 6.9858 7.1427 7.1427 9.2237 9.2237 10.3727 10.3727 10.5544 10.5544 10.6670 10.6670 k = 0.1327 0.0766-0.0000 ( 6735 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8166 -32.8166 -14.1268 -14.1268 -13.7770 -13.7770 -13.7073 -13.7073 -4.0703 -4.0703 -2.5646 -2.5646 2.1944 2.1944 5.1069 5.1069 5.7633 5.7633 6.3073 6.3073 6.9425 6.9425 7.0893 7.0893 9.2385 9.2385 10.3338 10.3338 10.5981 10.5981 10.7232 10.7232 k = 0.1429 0.0825-0.0000 ( 6747 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8162 -32.8162 -14.1279 -14.1279 -13.7783 -13.7783 -13.7100 -13.7100 -4.0421 -4.0421 -2.5516 -2.5516 2.2288 2.2288 4.9929 4.9929 5.7311 5.7311 6.1732 6.1732 6.8972 6.8972 7.0350 7.0350 9.2502 9.2502 10.2980 10.2980 10.6405 10.6405 10.7783 10.7783 k = 0.1531 0.0884-0.0000 ( 6743 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8157 -32.8157 -14.1291 -14.1291 -13.7797 -13.7797 -13.7128 -13.7128 -4.0120 -4.0120 -2.5379 -2.5379 2.2656 2.2656 4.8761 4.8761 5.6978 5.6978 6.0385 6.0385 6.8501 6.8501 6.9802 6.9802 9.2579 9.2579 10.2675 10.2675 10.6820 10.6820 10.8317 10.8317 k = 0.1633 0.0943-0.0000 ( 6739 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8152 -32.8152 -14.1304 -14.1304 -13.7813 -13.7813 -13.7156 -13.7156 -3.9801 -3.9801 -2.5235 -2.5235 2.3046 2.3046 4.7573 4.7573 5.6635 5.6635 5.9039 5.9039 6.8012 6.8012 6.9252 6.9252 9.2605 9.2605 10.2442 10.2442 10.7230 10.7230 10.8828 10.8828 k = 0.1735 0.1002-0.0000 ( 6739 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8146 -32.8146 -14.1319 -14.1319 -13.7829 -13.7829 -13.7184 -13.7184 -3.9463 -3.9463 -2.5085 -2.5085 2.3457 2.3457 4.6368 4.6368 5.6283 5.6283 5.7700 5.7700 6.7507 6.7507 6.8703 6.8703 9.2572 9.2572 10.2296 10.2296 10.7640 10.7640 10.9309 10.9309 k = 0.1837 0.1060-0.0000 ( 6737 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8141 -32.8141 -14.1334 -14.1334 -13.7848 -13.7848 -13.7212 -13.7212 -3.9107 -3.9107 -2.4929 -2.4929 2.3891 2.3891 4.5152 4.5152 5.5918 5.5918 5.6379 5.6379 6.6986 6.6986 6.8157 6.8157 9.2475 9.2475 10.2245 10.2245 10.8054 10.8054 10.9751 10.9751 k = 0.1939 0.1119-0.0000 ( 6734 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8135 -32.8135 -14.1350 -14.1350 -13.7867 -13.7867 -13.7238 -13.7238 -3.8735 -3.8735 -2.4768 -2.4768 2.4344 2.4344 4.3929 4.3929 5.5038 5.5038 5.5583 5.5583 6.6451 6.6451 6.7615 6.7615 9.2313 9.2313 10.2294 10.2294 10.8477 10.8477 11.0145 11.0145 k = 0.2041 0.1178-0.0000 ( 6740 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8130 -32.8130 -14.1368 -14.1368 -13.7888 -13.7888 -13.7264 -13.7264 -3.8346 -3.8346 -2.4603 -2.4603 2.4817 2.4817 4.2702 4.2702 5.3746 5.3746 5.5214 5.5214 6.5903 6.5903 6.7080 6.7080 9.2091 9.2091 10.2439 10.2439 10.8910 10.8910 11.0483 11.0483 k = 0.2143 0.1237-0.0000 ( 6744 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8124 -32.8124 -14.1387 -14.1387 -13.7910 -13.7910 -13.7288 -13.7288 -3.7941 -3.7941 -2.4434 -2.4434 2.5310 2.5310 4.1476 4.1476 5.2469 5.2469 5.4849 5.4849 6.5342 6.5342 6.6554 6.6554 9.1816 9.1816 10.2674 10.2674 10.9357 10.9357 11.0758 11.0758 k = 0.2245 0.1296-0.0000 ( 6752 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8118 -32.8118 -14.1406 -14.1406 -13.7933 -13.7933 -13.7311 -13.7311 -3.7520 -3.7520 -2.4263 -2.4263 2.5820 2.5820 4.0254 4.0254 5.1214 5.1214 5.4487 5.4487 6.4769 6.4769 6.6038 6.6038 9.1500 9.1500 10.2990 10.2990 10.9819 10.9819 11.0967 11.0967 k = 0.2347 0.1355-0.0000 ( 6760 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8112 -32.8112 -14.1427 -14.1427 -13.7957 -13.7957 -13.7332 -13.7332 -3.7086 -3.7086 -2.4091 -2.4091 2.6347 2.6347 3.9040 3.9040 4.9985 4.9985 5.4127 5.4127 6.4186 6.4186 6.5533 6.5533 9.1152 9.1152 10.3375 10.3375 11.0297 11.0297 11.1114 11.1114 k = 0.2449 0.1414-0.0000 ( 6762 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8106 -32.8106 -14.1448 -14.1448 -13.7983 -13.7983 -13.7352 -13.7352 -3.6637 -3.6637 -2.3918 -2.3918 2.6889 2.6889 3.7837 3.7837 4.8783 4.8783 5.3772 5.3772 6.3592 6.3592 6.5041 6.5041 9.0782 9.0782 10.3817 10.3817 11.0792 11.0792 11.1208 11.1208 k = 0.2551 0.1473-0.0000 ( 6762 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8100 -32.8100 -14.1471 -14.1471 -13.8009 -13.8009 -13.7370 -13.7370 -3.6176 -3.6176 -2.3746 -2.3746 2.7446 2.7446 3.6647 3.6647 4.7611 4.7611 5.3421 5.3421 6.2989 6.2989 6.4563 6.4563 9.0398 9.0398 10.4307 10.4307 11.1238 11.1238 11.1325 11.1325 k = 0.2653 0.1532-0.0000 ( 6758 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8094 -32.8094 -14.1494 -14.1494 -13.8035 -13.8035 -13.7386 -13.7386 -3.5702 -3.5702 -2.3577 -2.3577 2.8016 2.8016 3.5475 3.5475 4.6472 4.6472 5.3077 5.3077 6.2377 6.2377 6.4099 6.4099 9.0009 9.0009 10.4830 10.4830 11.1271 11.1271 11.1842 11.1842 k = 0.2755 0.1591-0.0000 ( 6768 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8088 -32.8088 -14.1517 -14.1517 -13.8062 -13.8062 -13.7401 -13.7401 -3.5218 -3.5218 -2.3410 -2.3410 2.8596 2.8596 3.4323 3.4323 4.5368 4.5368 5.2741 5.2741 6.1757 6.1757 6.3651 6.3651 8.9619 8.9619 10.5376 10.5376 11.1272 11.1272 11.2390 11.2390 k = 0.2857 0.1650-0.0000 ( 6760 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8082 -32.8082 -14.1541 -14.1541 -13.8089 -13.8089 -13.7415 -13.7415 -3.4723 -3.4723 -2.3248 -2.3248 2.9184 2.9184 3.3196 3.3196 4.4302 4.4302 5.2413 5.2413 6.1130 6.1130 6.3219 6.3219 8.9235 8.9235 10.5931 10.5931 11.1266 11.1266 11.2955 11.2955 k = 0.2959 0.1708-0.0000 ( 6760 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8077 -32.8077 -14.1566 -14.1566 -13.8116 -13.8116 -13.7427 -13.7427 -3.4220 -3.4220 -2.3092 -2.3092 2.9773 2.9773 3.2098 3.2098 4.3279 4.3279 5.2095 5.2095 6.0497 6.0497 6.2804 6.2804 8.8858 8.8858 10.6476 10.6476 11.1268 11.1268 11.3537 11.3537 k = 0.3061 0.1767-0.0000 ( 6768 PWs) bands (ev): -93.2010 -93.2010 -93.2005 -93.2005 -32.8071 -32.8071 -14.1591 -14.1591 -13.8143 -13.8143 -13.7438 -13.7438 -3.3709 -3.3709 -2.2944 -2.2944 3.0333 3.0333 3.1061 3.1061 4.2301 4.2301 5.1787 5.1787 5.9857 5.9857 6.2406 6.2406 8.8493 8.8493 10.6992 10.6992 11.1291 11.1291 11.4135 11.4135 k = 0.3163 0.1826-0.0000 ( 6768 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8065 -32.8065 -14.1616 -14.1616 -13.8169 -13.8169 -13.7447 -13.7447 -3.3192 -3.3192 -2.2806 -2.2806 2.9928 2.9928 3.1017 3.1017 4.1375 4.1375 5.1490 5.1490 5.9212 5.9212 6.2026 6.2026 8.8142 8.8142 10.7452 10.7452 11.1349 11.1349 11.4748 11.4748 k = 0.3265 0.1885-0.0000 ( 6770 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8060 -32.8060 -14.1641 -14.1641 -13.8195 -13.8195 -13.7455 -13.7455 -3.2670 -3.2670 -2.2678 -2.2678 2.8940 2.8940 3.1581 3.1581 4.0510 4.0510 5.1206 5.1206 5.8562 5.8562 6.1665 6.1665 8.7805 8.7805 10.7829 10.7829 11.1452 11.1452 11.5376 11.5376 k = 0.3367 0.1944-0.0000 ( 6766 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8055 -32.8055 -14.1665 -14.1665 -13.8219 -13.8219 -13.7463 -13.7463 -3.2144 -3.2144 -2.2564 -2.2564 2.7973 2.7973 3.2136 3.2136 3.9717 3.9717 5.0934 5.0934 5.7909 5.7909 6.1323 6.1323 8.7486 8.7486 10.8104 10.8104 11.1599 11.1599 11.6016 11.6017 k = 0.3469 0.2003-0.0000 ( 6754 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8050 -32.8050 -14.1690 -14.1690 -13.8243 -13.8243 -13.7469 -13.7469 -3.1617 -3.1617 -2.2463 -2.2463 2.7044 2.7044 3.2652 3.2652 3.9016 3.9016 5.0676 5.0676 5.7252 5.7252 6.1000 6.1000 8.7184 8.7184 10.8270 10.8270 11.1765 11.1765 11.6429 11.6430 k = 0.3571 0.2062-0.0000 ( 6754 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8045 -32.8045 -14.1713 -14.1713 -13.8266 -13.8266 -13.7475 -13.7475 -3.1090 -3.1090 -2.2379 -2.2379 2.6157 2.6157 3.3095 3.3095 3.8439 3.8439 5.0431 5.0431 5.6594 5.6594 6.0696 6.0696 8.6900 8.6900 10.8337 10.8337 11.1913 11.1913 11.6594 11.6594 k = 0.3673 0.2121-0.0000 ( 6750 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8040 -32.8040 -14.1736 -14.1736 -13.8288 -13.8288 -13.7479 -13.7479 -3.0566 -3.0566 -2.2313 -2.2313 2.5316 2.5316 3.3415 3.3415 3.8035 3.8035 5.0202 5.0202 5.5934 5.5934 6.0412 6.0412 8.6636 8.6636 10.8325 10.8325 11.2006 11.2006 11.6887 11.6887 k = 0.3776 0.2180-0.0000 ( 6756 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8036 -32.8036 -14.1759 -14.1759 -13.8308 -13.8308 -13.7484 -13.7484 -3.0045 -3.0045 -2.2267 -2.2267 2.4523 2.4523 3.3558 3.3558 3.7856 3.7856 4.9988 4.9988 5.5275 5.5275 6.0148 6.0148 8.6390 8.6390 10.8253 10.8253 11.2030 11.2030 11.7312 11.7312 k = 0.3878 0.2239-0.0000 ( 6750 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8032 -32.8032 -14.1780 -14.1780 -13.8327 -13.8327 -13.7487 -13.7487 -2.9532 -2.9532 -2.2241 -2.2241 2.3782 2.3782 3.3504 3.3504 3.7925 3.7925 4.9789 4.9789 5.4619 5.4619 5.9905 5.9905 8.6165 8.6165 10.8137 10.8137 11.1994 11.1994 11.7849 11.7849 k = 0.3980 0.2298-0.0000 ( 6754 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8028 -32.8028 -14.1799 -14.1799 -13.8344 -13.8344 -13.7490 -13.7490 -2.9028 -2.9028 -2.2237 -2.2237 2.3095 2.3095 3.3289 3.3289 3.8201 3.8201 4.9606 4.9606 5.3966 5.3966 5.9682 5.9682 8.5958 8.5958 10.7990 10.7990 11.1918 11.1918 11.8468 11.8468 k = 0.4082 0.2357-0.0000 ( 6748 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8025 -32.8025 -14.1818 -14.1818 -13.8360 -13.8360 -13.7492 -13.7492 -2.8536 -2.8536 -2.2256 -2.2256 2.2465 2.2465 3.2981 3.2981 3.8615 3.8615 4.9440 4.9440 5.3321 5.3321 5.9480 5.9480 8.5772 8.5772 10.7825 10.7825 11.1821 11.1821 11.9140 11.9140 k = 0.4184 0.2415-0.0000 ( 6760 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8022 -32.8022 -14.1835 -14.1835 -13.8375 -13.8375 -13.7494 -13.7494 -2.8060 -2.8060 -2.2297 -2.2297 2.1893 2.1893 3.2637 3.2637 3.9109 3.9109 4.9290 4.9290 5.2686 5.2686 5.9298 5.9298 8.5605 8.5605 10.7650 10.7650 11.1717 11.1717 11.9836 11.9836 k = 0.4286 0.2474-0.0000 ( 6760 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8019 -32.8019 -14.1850 -14.1850 -13.8387 -13.8387 -13.7496 -13.7496 -2.7604 -2.7604 -2.2360 -2.2360 2.1384 2.1384 3.2294 3.2294 3.9640 3.9640 4.9157 4.9157 5.2068 5.2068 5.9138 5.9138 8.5458 8.5458 10.7475 10.7475 11.1617 11.1617 12.0529 12.0529 k = 0.4388 0.2533-0.0000 ( 6762 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8016 -32.8016 -14.1863 -14.1863 -13.8399 -13.8399 -13.7498 -13.7498 -2.7174 -2.7174 -2.2443 -2.2443 2.0937 2.0937 3.1972 3.1972 4.0181 4.0181 4.9041 4.9041 5.1473 5.1473 5.8999 5.8999 8.5331 8.5331 10.7306 10.7306 11.1527 11.1527 12.1197 12.1197 k = 0.4490 0.2592-0.0000 ( 6772 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8014 -32.8014 -14.1875 -14.1875 -13.8408 -13.8408 -13.7499 -13.7499 -2.6775 -2.6775 -2.2543 -2.2543 2.0557 2.0557 3.1687 3.1687 4.0708 4.0708 4.8943 4.8943 5.0912 5.0912 5.8881 5.8881 8.5223 8.5223 10.7152 10.7152 11.1449 11.1449 12.1814 12.1814 k = 0.4592 0.2651-0.0000 ( 6768 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8013 -32.8013 -14.1885 -14.1885 -13.8416 -13.8416 -13.7500 -13.7500 -2.6415 -2.6415 -2.2654 -2.2654 2.0243 2.0243 3.1445 3.1445 4.1201 4.1201 4.8863 4.8863 5.0399 5.0399 5.8784 5.8784 8.5135 8.5135 10.7018 10.7018 11.1385 11.1385 12.2356 12.2356 k = 0.4694 0.2710-0.0000 ( 6770 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8011 -32.8011 -14.1892 -14.1892 -13.8422 -13.8422 -13.7500 -13.7500 -2.6107 -2.6107 -2.2767 -2.2767 1.9997 1.9997 3.1253 3.1253 4.1633 4.1633 4.8800 4.8800 4.9954 4.9954 5.8709 5.8709 8.5067 8.5067 10.6909 10.6909 11.1336 11.1336 12.2798 12.2799 k = 0.4796 0.2769-0.0000 ( 6780 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1898 -14.1898 -13.8426 -13.8426 -13.7501 -13.7501 -2.5865 -2.5865 -2.2867 -2.2867 1.9821 1.9821 3.1113 3.1113 4.1977 4.1977 4.8756 4.8756 4.9603 4.9603 5.8655 5.8655 8.5018 8.5018 10.6828 10.6828 11.1301 11.1301 12.3124 12.3124 k = 0.4898 0.2828-0.0000 ( 6780 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1901 -14.1901 -13.8429 -13.8429 -13.7501 -13.7501 -2.5709 -2.5709 -2.2939 -2.2939 1.9715 1.9715 3.1028 3.1028 4.2201 4.2201 4.8729 4.8729 4.9376 4.9376 5.8623 5.8623 8.4989 8.4989 10.6779 10.6779 11.1280 11.1280 12.3322 12.3322 k = 0.5000 0.2887-0.0000 ( 6776 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5654 -2.5654 -2.2965 -2.2965 1.9680 1.9680 3.1000 3.1000 4.2279 4.2279 4.8721 4.8721 4.9296 4.9296 5.8612 5.8612 8.4979 8.4979 10.6762 10.6762 11.1273 11.1273 12.3388 12.3388 k = 0.5000 0.2887-0.0000 ( 6776 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5654 -2.5654 -2.2965 -2.2965 1.9680 1.9680 3.1000 3.1000 4.2279 4.2279 4.8721 4.8721 4.9296 4.9296 5.8612 5.8612 8.4979 8.4979 10.6762 10.6762 11.1273 11.1273 12.3388 12.3388 k = 0.4940 0.2990-0.0000 ( 6780 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.5649 -2.5649 -2.2961 -2.2961 1.9691 1.9691 3.1000 3.1000 4.2286 4.2286 4.8634 4.8634 4.9310 4.9310 5.8571 5.8571 8.5074 8.5074 10.6766 10.6766 11.1339 11.1339 12.3409 12.3409 k = 0.4881 0.3093-0.0000 ( 6772 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8009 -32.8009 -14.1901 -14.1901 -13.8429 -13.8429 -13.7506 -13.7506 -2.5632 -2.5632 -2.2948 -2.2948 1.9724 1.9724 3.0998 3.0998 4.2306 4.2306 4.8387 4.8387 4.9341 4.9341 5.8448 5.8448 8.5357 8.5357 10.6775 10.6775 11.1538 11.1538 12.3468 12.3468 k = 0.4821 0.3196-0.0000 ( 6772 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8009 -32.8009 -14.1900 -14.1900 -13.8428 -13.8428 -13.7511 -13.7511 -2.5604 -2.5604 -2.2926 -2.2926 1.9780 1.9780 3.0996 3.0996 4.2339 4.2339 4.8000 4.8000 4.9376 4.9376 5.8247 5.8247 8.5820 8.5820 10.6792 10.6792 11.1864 11.1864 12.3553 12.3553 k = 0.4762 0.3299-0.0000 ( 6770 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8009 -32.8009 -14.1899 -14.1899 -13.8427 -13.8427 -13.7519 -13.7519 -2.5565 -2.5565 -2.2897 -2.2897 1.9858 1.9858 3.0992 3.0992 4.2386 4.2386 4.7486 4.7486 4.9414 4.9414 5.7971 5.7971 8.6449 8.6449 10.6813 10.6813 11.2310 11.2310 12.3670 12.3739 k = 0.4702 0.3402-0.0000 ( 6770 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8008 -32.8008 -14.1898 -14.1898 -13.8425 -13.8425 -13.7529 -13.7529 -2.5516 -2.5516 -2.2860 -2.2860 1.9958 1.9958 3.0987 3.0987 4.2446 4.2446 4.6859 4.6859 4.9456 4.9456 5.7627 5.7627 8.7229 8.7229 10.6840 10.6840 11.2864 11.2864 12.3372 12.3372 k = 0.4643 0.3505-0.0000 ( 6768 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8007 -32.8007 -14.1896 -14.1896 -13.8423 -13.8423 -13.7541 -13.7541 -2.5456 -2.5456 -2.2816 -2.2816 2.0080 2.0080 3.0979 3.0979 4.2519 4.2519 4.6135 4.6135 4.9501 4.9501 5.7222 5.7222 8.8143 8.8143 10.6870 10.6870 11.3510 11.3510 12.2825 12.2825 k = 0.4583 0.3608-0.0000 ( 6768 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8007 -32.8007 -14.1894 -14.1894 -13.8420 -13.8420 -13.7555 -13.7555 -2.5385 -2.5385 -2.2765 -2.2765 2.0225 2.0225 3.0968 3.0968 4.2606 4.2606 4.5329 4.5329 4.9550 4.9550 5.6763 5.6763 8.9172 8.9172 10.6902 10.6902 11.4225 11.4225 12.2345 12.2346 k = 0.4524 0.3712-0.0000 ( 6764 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8006 -32.8006 -14.1891 -14.1891 -13.8417 -13.8417 -13.7570 -13.7570 -2.5305 -2.5305 -2.2708 -2.2708 2.0391 2.0391 3.0953 3.0953 4.2706 4.2706 4.4457 4.4457 4.9601 4.9601 5.6260 5.6260 9.0299 9.0299 10.6934 10.6934 11.4973 11.4973 12.1762 12.1795 k = 0.4464 0.3815-0.0000 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8005 -32.8005 -14.1889 -14.1889 -13.8414 -13.8414 -13.7587 -13.7587 -2.5214 -2.5214 -2.2646 -2.2646 2.0579 2.0579 3.0933 3.0933 4.2815 4.2815 4.3540 4.3540 4.9653 4.9653 5.5719 5.5719 9.1507 9.1507 10.6963 10.6963 11.5697 11.5697 12.0857 12.0857 k = 0.4405 0.3918-0.0000 ( 6754 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8004 -32.8004 -14.1886 -14.1886 -13.8411 -13.8411 -13.7605 -13.7605 -2.5114 -2.5114 -2.2580 -2.2580 2.0789 2.0789 3.0908 3.0908 4.2545 4.2545 4.2977 4.2977 4.9706 4.9706 5.5151 5.5151 9.2782 9.2782 10.6986 10.6986 11.6314 11.6314 11.9934 11.9934 k = 0.4345 0.4021-0.0000 ( 6754 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8002 -32.8002 -14.1884 -14.1884 -13.8408 -13.8408 -13.7624 -13.7624 -2.5005 -2.5005 -2.2511 -2.2511 2.1020 2.1020 3.0876 3.0876 4.1570 4.1570 4.3106 4.3106 4.9756 4.9756 5.4564 5.4564 9.4108 9.4108 10.7000 10.7000 11.6732 11.6732 11.9027 11.9027 k = 0.4286 0.4124-0.0000 ( 6750 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8001 -32.8001 -14.1881 -14.1881 -13.8405 -13.8405 -13.7644 -13.7644 -2.4888 -2.4888 -2.2440 -2.2440 2.1273 2.1273 3.0836 3.0836 4.0568 4.0568 4.3263 4.3263 4.9802 4.9802 5.3965 5.3965 9.5472 9.5472 10.7000 10.7000 11.6907 11.6907 11.8155 11.8155 k = 0.4226 0.4227-0.0000 ( 6742 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8000 -32.8000 -14.1879 -14.1879 -13.8402 -13.8402 -13.7664 -13.7664 -2.4762 -2.4762 -2.2368 -2.2368 2.1547 2.1547 3.0786 3.0786 3.9558 3.9558 4.3436 4.3436 4.9842 4.9842 5.3363 5.3363 9.6861 9.6861 10.6981 10.6981 11.6880 11.6880 11.7337 11.7337 k = 0.4167 0.4330-0.0000 ( 6740 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7999 -32.7999 -14.1876 -14.1876 -13.8399 -13.8399 -13.7685 -13.7685 -2.4629 -2.4629 -2.2297 -2.2297 2.1841 2.1841 3.0727 3.0727 3.8550 3.8550 4.3624 4.3624 4.9873 4.9873 5.2765 5.2765 9.8265 9.8265 10.6937 10.6937 11.6581 11.6581 11.6732 11.6732 k = 0.4107 0.4433-0.0000 ( 6736 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7997 -32.7997 -14.1874 -14.1874 -13.8396 -13.8396 -13.7705 -13.7705 -2.4489 -2.4489 -2.2229 -2.2229 2.2157 2.2157 3.0656 3.0656 3.7553 3.7553 4.3828 4.3828 4.9893 4.9893 5.2178 5.2178 9.9670 9.9670 10.6866 10.6866 11.5917 11.5917 11.6507 11.6507 k = 0.4048 0.4536-0.0000 ( 6734 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7996 -32.7996 -14.1871 -14.1871 -13.8393 -13.8393 -13.7724 -13.7724 -2.4343 -2.4343 -2.2165 -2.2165 2.2493 2.2493 3.0573 3.0573 3.6572 3.6572 4.4047 4.4047 4.9899 4.9899 5.1609 5.1609 10.1064 10.1064 10.6765 10.6765 11.5344 11.5344 11.6254 11.6254 k = 0.3988 0.4639-0.0000 ( 6734 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7995 -32.7995 -14.1869 -14.1869 -13.8391 -13.8391 -13.7744 -13.7744 -2.4191 -2.4191 -2.2107 -2.2107 2.2849 2.2849 3.0476 3.0476 3.5615 3.5615 4.4282 4.4282 4.9889 4.9889 5.1063 5.1063 10.2428 10.2428 10.6643 10.6643 11.4874 11.4874 11.5992 11.5992 k = 0.3929 0.4743-0.0000 ( 6734 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7994 -32.7994 -14.1868 -14.1868 -13.8389 -13.8389 -13.7762 -13.7762 -2.4034 -2.4034 -2.2056 -2.2056 2.3224 2.3224 3.0366 3.0366 3.4687 3.4687 4.4532 4.4532 4.9859 4.9859 5.0547 5.0547 10.3722 10.3722 10.6532 10.6532 11.4512 11.4512 11.5732 11.5732 k = 0.3869 0.4846-0.0000 ( 6734 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7992 -32.7992 -14.1866 -14.1866 -13.8387 -13.8387 -13.7778 -13.7778 -2.3874 -2.3874 -2.2015 -2.2015 2.3619 2.3619 3.0242 3.0242 3.3794 3.3794 4.4799 4.4799 4.9801 4.9801 5.0070 5.0070 10.4808 10.4808 10.6566 10.6566 11.4259 11.4259 11.5481 11.5481 k = 0.3810 0.4949-0.0000 ( 6742 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7991 -32.7991 -14.1865 -14.1865 -13.8386 -13.8386 -13.7794 -13.7794 -2.3711 -2.3711 -2.1986 -2.1986 2.4032 2.4032 3.0103 3.0103 3.2940 3.2940 4.5081 4.5081 4.9586 4.9586 4.9762 4.9762 10.5302 10.5302 10.7130 10.7130 11.4113 11.4113 11.5242 11.5242 k = 0.3750 0.5052-0.0000 ( 6752 PWs) bands (ev): -93.2008 -93.2008 -93.2007 -93.2007 -32.7990 -32.7990 -14.1864 -14.1864 -13.8386 -13.8386 -13.7808 -13.7808 -2.3545 -2.3545 -2.1971 -2.1971 2.4463 2.4463 2.9951 2.9951 3.2131 3.2131 4.5380 4.5380 4.9193 4.9193 4.9647 4.9647 10.5267 10.5267 10.8160 10.8160 11.4072 11.4072 11.5016 11.5016 k = 0.3690 0.5155-0.0000 ( 6760 PWs) bands (ev): -93.2008 -93.2008 -93.2007 -93.2007 -32.7989 -32.7989 -14.1863 -14.1863 -13.8385 -13.8385 -13.7820 -13.7820 -2.3378 -2.3378 -2.1971 -2.1971 2.4910 2.4910 2.9787 2.9787 3.1372 3.1372 4.5694 4.5694 4.8830 4.8830 4.9516 4.9516 10.5083 10.5083 10.9271 10.9271 11.4135 11.4135 11.4802 11.4802 k = 0.3631 0.5258-0.0000 ( 6756 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7988 -32.7988 -14.1863 -14.1863 -13.8386 -13.8386 -13.7830 -13.7830 -2.3211 -2.3211 -2.1989 -2.1989 2.5371 2.5371 2.9611 2.9611 3.0669 3.0669 4.6023 4.6023 4.8511 4.8511 4.9356 4.9356 10.4871 10.4871 11.0328 11.0328 11.4311 11.4311 11.4597 11.4597 k = 0.3571 0.5361-0.0000 ( 6748 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7988 -32.7988 -14.1863 -14.1863 -13.8386 -13.8386 -13.7838 -13.7838 -2.3045 -2.3045 -2.2027 -2.2027 2.5842 2.5842 2.9425 2.9425 3.0031 3.0031 4.6366 4.6366 4.8239 4.8239 4.9164 4.9164 10.4670 10.4670 11.1264 11.1264 11.4382 11.4382 11.4632 11.4632 k = 0.3512 0.5464-0.0000 ( 6756 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7987 -32.7987 -14.1863 -14.1863 -13.8387 -13.8387 -13.7844 -13.7844 -2.2881 -2.2881 -2.2086 -2.2086 2.6315 2.6315 2.9225 2.9225 2.9473 2.9473 4.6721 4.6721 4.8018 4.8018 4.8939 4.8939 10.4498 10.4498 11.2032 11.2032 11.4176 11.4176 11.5081 11.5081 k = 0.3452 0.5567-0.0000 ( 6746 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7987 -32.7987 -14.1863 -14.1863 -13.8387 -13.8387 -13.7849 -13.7849 -2.2720 -2.2720 -2.2169 -2.2169 2.6769 2.6769 2.8945 2.8945 2.9090 2.9090 4.7074 4.7074 4.7859 4.7859 4.8681 4.8681 10.4368 10.4368 11.2619 11.2619 11.3950 11.3950 11.5639 11.5639 k = 0.3393 0.5670-0.0000 ( 6742 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7851 -13.7851 -2.2564 -2.2564 -2.2277 -2.2277 2.7141 2.7141 2.8652 2.8652 2.8881 2.8881 4.7367 4.7367 4.7821 4.7821 4.8388 4.8388 10.4286 10.4286 11.3061 11.3061 11.3696 11.3696 11.6184 11.6184 k = 0.3333 0.5774-0.0000 ( 6738 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2427 -2.2427 -2.2397 -2.2397 2.7290 2.7290 2.8598 2.8598 2.8741 2.8741 4.7449 4.7449 4.8015 4.8015 4.8100 4.8100 10.4258 10.4258 11.3387 11.3387 11.3426 11.3426 11.6481 11.6481 k = 0.3333 0.5774-0.0000 ( 6738 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2427 -2.2427 -2.2397 -2.2397 2.7290 2.7290 2.8598 2.8598 2.8741 2.8741 4.7449 4.7449 4.8015 4.8015 4.8100 4.8100 10.4258 10.4258 11.3387 11.3387 11.3426 11.3426 11.6481 11.6484 k = 0.3274 0.5670-0.0000 ( 6742 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7851 -13.7851 -2.2575 -2.2575 -2.2267 -2.2267 2.7188 2.7188 2.8480 2.8480 2.9007 2.9007 4.7433 4.7433 4.7694 4.7694 4.8448 4.8448 10.4287 10.4287 11.3076 11.3076 11.3688 11.3688 11.6364 11.6364 k = 0.3214 0.5567-0.0000 ( 6742 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7987 -32.7987 -14.1862 -14.1862 -13.8387 -13.8387 -13.7849 -13.7849 -2.2765 -2.2765 -2.2131 -2.2131 2.7006 2.7006 2.8317 2.8317 2.9493 2.9493 4.7295 4.7295 4.7438 4.7438 4.8879 4.8879 10.4375 10.4375 11.2711 11.2711 11.3914 11.3914 11.6220 11.6220 k = 0.3155 0.5464-0.0000 ( 6748 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7987 -32.7987 -14.1862 -14.1862 -13.8385 -13.8385 -13.7845 -13.7845 -2.2984 -2.2984 -2.2003 -2.2003 2.6841 2.6841 2.8165 2.8165 3.0050 3.0050 4.6872 4.6872 4.7463 4.7463 4.9336 4.9336 10.4522 10.4522 11.2315 11.2315 11.4062 11.4062 11.5810 11.5810 k = 0.3095 0.5361-0.0000 ( 6750 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7988 -32.7988 -14.1861 -14.1861 -13.8383 -13.8383 -13.7840 -13.7840 -2.3232 -2.3232 -2.1885 -2.1885 2.6724 2.6724 2.8031 2.8031 3.0642 3.0642 4.6417 4.6417 4.7525 4.7525 4.9812 4.9812 10.4728 10.4728 11.1896 11.1896 11.4032 11.4032 11.5405 11.5405 k = 0.3036 0.5258-0.0000 ( 6766 PWs) bands (ev): -93.2008 -93.2008 -93.2007 -93.2007 -32.7989 -32.7989 -14.1859 -14.1859 -13.8380 -13.8380 -13.7834 -13.7834 -2.3510 -2.3510 -2.1778 -2.1778 2.6667 2.6667 2.7921 2.7921 3.1256 3.1256 4.5936 4.5936 4.7620 4.7620 5.0305 5.0305 10.4992 10.4992 11.1463 11.1463 11.3673 11.3673 11.5250 11.5250 k = 0.2976 0.5155-0.0000 ( 6766 PWs) bands (ev): -93.2008 -93.2008 -93.2007 -93.2007 -32.7990 -32.7990 -14.1857 -14.1857 -13.8375 -13.8375 -13.7827 -13.7827 -2.3816 -2.3816 -2.1684 -2.1684 2.6673 2.6673 2.7837 2.7837 3.1886 3.1886 4.5432 4.5432 4.7749 4.7749 5.0814 5.0814 10.5310 10.5310 11.1021 11.1021 11.3057 11.3057 11.5307 11.5307 k = 0.2917 0.5052-0.0000 ( 6774 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7992 -32.7992 -14.1853 -14.1853 -13.8370 -13.8370 -13.7819 -13.7819 -2.4149 -2.4149 -2.1602 -2.1602 2.6746 2.6746 2.7783 2.7783 3.2527 3.2527 4.4908 4.4908 4.7909 4.7909 5.1338 5.1338 10.5680 10.5680 11.0574 11.0574 11.2334 11.2334 11.5439 11.5439 k = 0.2857 0.4949-0.0000 ( 6778 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7993 -32.7993 -14.1849 -14.1849 -13.8364 -13.8364 -13.7810 -13.7810 -2.4510 -2.4510 -2.1534 -2.1534 2.6884 2.6884 2.7762 2.7762 3.3173 3.3173 4.4371 4.4371 4.8099 4.8099 5.1876 5.1876 10.6096 10.6096 11.0127 11.0127 11.1572 11.1572 11.5588 11.5588 k = 0.2798 0.4846-0.0000 ( 6770 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7995 -32.7995 -14.1844 -14.1844 -13.8357 -13.8357 -13.7800 -13.7800 -2.4896 -2.4896 -2.1481 -2.1481 2.7087 2.7087 2.7776 2.7776 3.3820 3.3820 4.3828 4.3828 4.8318 4.8318 5.2429 5.2429 10.6551 10.6551 10.9681 10.9681 11.0796 11.0796 11.5736 11.5736 k = 0.2738 0.4743-0.0000 ( 6766 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7998 -32.7998 -14.1838 -14.1838 -13.8348 -13.8348 -13.7790 -13.7790 -2.5306 -2.5306 -2.1442 -2.1442 2.7354 2.7354 2.7829 2.7829 3.4461 3.4461 4.3286 4.3286 4.8565 4.8565 5.2995 5.2995 10.7035 10.7035 10.9240 10.9240 11.0025 11.0025 11.5874 11.5874 k = 0.2679 0.4639-0.0000 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8000 -32.8000 -14.1830 -14.1830 -13.8339 -13.8339 -13.7779 -13.7779 -2.5738 -2.5738 -2.1419 -2.1419 2.7682 2.7682 2.7922 2.7922 3.5083 3.5083 4.2761 4.2761 4.8839 4.8839 5.3574 5.3574 10.7518 10.7518 10.8804 10.8804 10.9286 10.9286 11.5998 11.5998 k = 0.2619 0.4536-0.0000 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8003 -32.8003 -14.1822 -14.1822 -13.8328 -13.8328 -13.7767 -13.7767 -2.6190 -2.6190 -2.1411 -2.1411 2.8036 2.8036 2.8090 2.8090 3.5668 3.5668 4.2273 4.2273 4.9138 4.9138 5.4164 5.4164 10.7834 10.7834 10.8376 10.8376 10.8739 10.8739 11.6108 11.6108 k = 0.2560 0.4433-0.0000 ( 6764 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8006 -32.8006 -14.1812 -14.1812 -13.8316 -13.8316 -13.7754 -13.7754 -2.6661 -2.6661 -2.1420 -2.1420 2.8228 2.8228 2.8519 2.8519 3.6187 3.6187 4.1854 4.1854 4.9463 4.9463 5.4766 5.4766 10.7453 10.7453 10.7957 10.7957 10.8910 10.8910 11.6207 11.6207 k = 0.2500 0.4330-0.0000 ( 6748 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1801 -14.1801 -13.8304 -13.8304 -13.7741 -13.7741 -2.7147 -2.7147 -2.1444 -2.1444 2.8451 2.8451 2.9015 2.9015 3.6593 3.6593 4.1555 4.1555 4.9811 4.9811 5.5378 5.5378 10.6761 10.6761 10.7545 10.7545 10.9402 10.9402 11.6299 11.6299 k = 0.2440 0.4227-0.0000 ( 6748 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8013 -32.8013 -14.1788 -14.1788 -13.8290 -13.8290 -13.7727 -13.7727 -2.7648 -2.7648 -2.1484 -2.1484 2.8718 2.8718 2.9558 2.9558 3.6828 3.6828 4.1439 4.1439 5.0183 5.0183 5.6000 5.6000 10.6033 10.6033 10.7144 10.7144 10.9921 10.9921 11.6394 11.6394 k = 0.2381 0.4124-0.0000 ( 6752 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8017 -32.8017 -14.1774 -14.1774 -13.8276 -13.8276 -13.7713 -13.7713 -2.8161 -2.8161 -2.1539 -2.1539 2.9030 2.9030 3.0140 3.0140 3.6853 3.6853 4.1550 4.1550 5.0578 5.0578 5.6630 5.6630 10.5307 10.5307 10.6755 10.6755 11.0412 11.0412 11.6504 11.6504 k = 0.2321 0.4021-0.0000 ( 6744 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8021 -32.8021 -14.1759 -14.1759 -13.8260 -13.8260 -13.7698 -13.7698 -2.8684 -2.8684 -2.1608 -2.1608 2.9389 2.9389 3.0749 3.0749 3.6689 3.6689 4.1880 4.1880 5.0995 5.0995 5.7269 5.7269 10.4592 10.4592 10.6378 10.6378 11.0841 11.0841 11.6644 11.6644 k = 0.2262 0.3918-0.0000 ( 6746 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8026 -32.8026 -14.1743 -14.1743 -13.8244 -13.8244 -13.7683 -13.7683 -2.9215 -2.9215 -2.1692 -2.1692 2.9793 2.9793 3.1362 3.1362 3.6411 3.6411 4.2374 4.2374 5.1434 5.1434 5.7913 5.7913 10.3892 10.3892 10.6015 10.6015 11.1182 11.1182 11.6828 11.6828 k = 0.2202 0.3815-0.0000 ( 6742 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8030 -32.8030 -14.1726 -14.1726 -13.8227 -13.8227 -13.7667 -13.7667 -2.9752 -2.9752 -2.1790 -2.1790 3.0243 3.0243 3.1936 3.1936 3.6118 3.6118 4.2976 4.2976 5.1893 5.1893 5.8564 5.8564 10.3208 10.3208 10.5668 10.5668 11.1411 11.1411 11.7060 11.7060 k = 0.2143 0.3712-0.0000 ( 6760 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8035 -32.8035 -14.1708 -14.1708 -13.8209 -13.8209 -13.7650 -13.7650 -3.0293 -3.0293 -2.1900 -2.1900 3.0738 3.0738 3.2386 3.2386 3.5932 3.5932 4.3647 4.3647 5.2374 5.2374 5.9218 5.9218 10.2543 10.2543 10.5336 10.5336 11.1521 11.1521 11.7330 11.7330 k = 0.2083 0.3608-0.0000 ( 6758 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8040 -32.8040 -14.1688 -14.1688 -13.8191 -13.8191 -13.7633 -13.7633 -3.0836 -3.0836 -2.2022 -2.2022 3.1278 3.1278 3.2587 3.2587 3.6003 3.6003 4.4362 4.4362 5.2874 5.2874 5.9876 5.9876 10.1898 10.1898 10.5021 10.5021 11.1515 11.1515 11.7605 11.7605 k = 0.2024 0.3505-0.0000 ( 6760 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8045 -32.8045 -14.1668 -14.1668 -13.8172 -13.8172 -13.7615 -13.7615 -3.1380 -3.1380 -2.2155 -2.2155 3.1859 3.1859 3.2477 3.2477 3.6406 3.6406 4.5105 4.5105 5.3394 5.3394 6.0535 6.0535 10.1273 10.1273 10.4725 10.4725 11.1406 11.1406 11.7831 11.7831 k = 0.1964 0.3402-0.0000 ( 6756 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8051 -32.8051 -14.1647 -14.1647 -13.8152 -13.8152 -13.7597 -13.7597 -3.1922 -3.1922 -2.2298 -2.2298 3.2116 3.2116 3.2498 3.2498 3.7073 3.7073 4.5867 4.5867 5.3934 5.3934 6.1195 6.1195 10.0669 10.0669 10.4449 10.4449 11.1211 11.1211 11.7942 11.7942 k = 0.1905 0.3299-0.0000 ( 6750 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8056 -32.8056 -14.1625 -14.1625 -13.8132 -13.8132 -13.7578 -13.7578 -3.2462 -3.2462 -2.2449 -2.2449 3.1645 3.1645 3.3161 3.3161 3.7901 3.7901 4.6641 4.6641 5.4492 5.4492 6.1853 6.1853 10.0087 10.0087 10.4194 10.4194 11.0948 11.0948 11.7881 11.7881 k = 0.1845 0.3196-0.0000 ( 6754 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8062 -32.8062 -14.1603 -14.1603 -13.8111 -13.8111 -13.7558 -13.7558 -3.2997 -3.2997 -2.2608 -2.2608 3.1103 3.1103 3.3869 3.3869 3.8830 3.8830 4.7422 4.7422 5.5069 5.5069 6.2509 6.2509 9.9528 9.9528 10.3961 10.3961 11.0632 11.0632 11.7629 11.7629 k = 0.1786 0.3093-0.0000 ( 6754 PWs) bands (ev): -93.2010 -93.2010 -93.2005 -93.2005 -32.8068 -32.8068 -14.1581 -14.1581 -13.8090 -13.8090 -13.7537 -13.7537 -3.3527 -3.3527 -2.2774 -2.2774 3.0529 3.0529 3.4616 3.4616 3.9827 3.9827 4.8208 4.8208 5.5663 5.5663 6.3160 6.3160 9.8990 9.8990 10.3752 10.3752 11.0275 11.0275 11.7217 11.7217 k = 0.1726 0.2990-0.0000 ( 6748 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8074 -32.8074 -14.1558 -14.1558 -13.8068 -13.8068 -13.7516 -13.7516 -3.4050 -3.4050 -2.2945 -2.2945 2.9939 2.9939 3.5401 3.5401 4.0875 4.0875 4.8996 4.8996 5.6275 5.6275 6.3806 6.3806 9.8475 9.8475 10.3567 10.3567 10.9889 10.9889 11.6699 11.6699 k = 0.1667 0.2887-0.0000 ( 6750 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8080 -32.8080 -14.1536 -14.1536 -13.8047 -13.8047 -13.7493 -13.7493 -3.4564 -3.4564 -2.3121 -2.3121 2.9345 2.9345 3.6223 3.6223 4.1963 4.1963 4.9784 4.9784 5.6903 5.6903 6.4444 6.4444 9.7983 9.7983 10.3409 10.3409 10.9483 10.9483 11.6126 11.6126 k = 0.1607 0.2784-0.0000 ( 6746 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8086 -32.8086 -14.1513 -14.1513 -13.8025 -13.8025 -13.7470 -13.7470 -3.5069 -3.5069 -2.3299 -2.3299 2.8753 2.8753 3.7078 3.7078 4.3083 4.3083 5.0570 5.0570 5.7546 5.7546 6.5072 6.5072 9.7512 9.7512 10.3278 10.3278 10.9064 10.9064 11.5529 11.5529 k = 0.1548 0.2681-0.0000 ( 6754 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8092 -32.8092 -14.1491 -14.1491 -13.8003 -13.8003 -13.7446 -13.7446 -3.5564 -3.5564 -2.3480 -2.3480 2.8167 2.8167 3.7966 3.7966 4.4229 4.4229 5.1355 5.1355 5.8205 5.8205 6.5689 6.5689 9.7062 9.7062 10.3176 10.3176 10.8640 10.8640 11.4931 11.4931 k = 0.1488 0.2577-0.0000 ( 6752 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8098 -32.8098 -14.1469 -14.1469 -13.7982 -13.7982 -13.7422 -13.7422 -3.6047 -3.6047 -2.3662 -2.3662 2.7590 2.7590 3.8884 3.8884 4.5394 4.5394 5.2138 5.2138 5.8878 5.8878 6.6293 6.6293 9.6633 9.6633 10.3103 10.3103 10.8219 10.8219 11.4345 11.4345 k = 0.1429 0.2474-0.0000 ( 6744 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8104 -32.8104 -14.1448 -14.1448 -13.7961 -13.7961 -13.7396 -13.7396 -3.6518 -3.6518 -2.3845 -2.3845 2.7025 2.7025 3.9830 3.9830 4.6571 4.6571 5.2922 5.2922 5.9565 5.9565 6.6882 6.6882 9.6224 9.6224 10.3061 10.3061 10.7804 10.7804 11.3779 11.3779 k = 0.1369 0.2371-0.0000 ( 6744 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8111 -32.8111 -14.1427 -14.1427 -13.7940 -13.7940 -13.7369 -13.7369 -3.6976 -3.6976 -2.4026 -2.4026 2.6474 2.6474 4.0803 4.0803 4.7753 4.7753 5.3710 5.3710 6.0263 6.0263 6.7455 6.7455 9.5834 9.5834 10.3049 10.3049 10.7402 10.7402 11.3239 11.3239 k = 0.1310 0.2268-0.0000 ( 6742 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8117 -32.8117 -14.1407 -14.1407 -13.7919 -13.7919 -13.7342 -13.7342 -3.7419 -3.7419 -2.4206 -2.4206 2.5938 2.5938 4.1799 4.1799 4.8928 4.8928 5.4507 5.4507 6.0972 6.0972 6.8011 6.8011 9.5461 9.5461 10.3069 10.3069 10.7018 10.7018 11.2730 11.2730 k = 0.1250 0.2165-0.0000 ( 6746 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8123 -32.8123 -14.1388 -14.1388 -13.7899 -13.7899 -13.7314 -13.7314 -3.7848 -3.7848 -2.4384 -2.4384 2.5419 2.5419 4.2816 4.2816 5.0085 5.0085 5.5321 5.5321 6.1690 6.1690 6.8547 6.8547 9.5104 9.5104 10.3121 10.3121 10.6654 10.6654 11.2253 11.2253 k = 0.1190 0.2062-0.0000 ( 6740 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8129 -32.8129 -14.1370 -14.1370 -13.7880 -13.7880 -13.7285 -13.7285 -3.8261 -3.8261 -2.4558 -2.4558 2.4918 2.4918 4.3851 4.3851 5.1208 5.1208 5.6164 5.6164 6.2416 6.2416 6.9063 6.9063 9.4762 9.4762 10.3203 10.3203 10.6314 10.6314 11.1811 11.1811 k = 0.1131 0.1959-0.0000 ( 6740 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8134 -32.8134 -14.1352 -14.1352 -13.7862 -13.7862 -13.7256 -13.7256 -3.8658 -3.8658 -2.4728 -2.4728 2.4436 2.4436 4.4901 4.4901 5.2278 5.2278 5.7049 5.7049 6.3148 6.3148 6.9557 6.9557 9.4434 9.4434 10.3316 10.3316 10.5998 10.5998 11.1408 11.1408 k = 0.1071 0.1856-0.0000 ( 6738 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8140 -32.8140 -14.1336 -14.1336 -13.7844 -13.7844 -13.7226 -13.7226 -3.9038 -3.9038 -2.4894 -2.4894 2.3974 2.3974 4.5963 4.5963 5.3277 5.3277 5.7990 5.7990 6.3883 6.3883 7.0030 7.0030 9.4118 9.4118 10.3458 10.3458 10.5706 10.5706 11.1044 11.1044 k = 0.1012 0.1753-0.0000 ( 6746 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8145 -32.8145 -14.1320 -14.1320 -13.7827 -13.7827 -13.7196 -13.7196 -3.9401 -3.9401 -2.5054 -2.5054 2.3532 2.3532 4.7033 4.7033 5.4190 5.4190 5.8999 5.8999 6.4619 6.4619 7.0481 7.0481 9.3814 9.3814 10.3626 10.3626 10.5438 10.5438 11.0725 11.0725 k = 0.0952 0.1650-0.0000 ( 6746 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8151 -32.8151 -14.1306 -14.1306 -13.7812 -13.7812 -13.7166 -13.7166 -3.9745 -3.9745 -2.5208 -2.5208 2.3113 2.3113 4.8106 4.8106 5.5009 5.5009 6.0077 6.0077 6.5353 6.5353 7.0909 7.0909 9.3520 9.3520 10.3819 10.3819 10.5189 10.5189 11.0452 11.0452 k = 0.0893 0.1546-0.0000 ( 6748 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8156 -32.8156 -14.1293 -14.1293 -13.7797 -13.7797 -13.7136 -13.7136 -4.0071 -4.0071 -2.5355 -2.5355 2.2715 2.2715 4.9178 4.9178 5.5735 5.5735 6.1220 6.1220 6.6081 6.6081 7.1316 7.1316 9.3237 9.3237 10.4031 10.4031 10.4955 10.4955 11.0229 11.0229 k = 0.0833 0.1443-0.0000 ( 6753 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8161 -32.8161 -14.1280 -14.1280 -13.7783 -13.7783 -13.7107 -13.7107 -4.0379 -4.0379 -2.5495 -2.5495 2.2340 2.2340 5.0245 5.0245 5.6375 5.6375 6.2414 6.2414 6.6798 6.6798 7.1701 7.1701 9.2964 9.2964 10.4256 10.4256 10.4732 10.4732 11.0060 11.0060 k = 0.0774 0.1340-0.0000 ( 6755 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8165 -32.8165 -14.1269 -14.1269 -13.7770 -13.7770 -13.7078 -13.7078 -4.0666 -4.0666 -2.5628 -2.5628 2.1989 2.1989 5.1299 5.1299 5.6939 5.6939 6.3645 6.3645 6.7500 6.7500 7.2068 7.2068 9.2701 9.2701 10.4474 10.4474 10.4525 10.4525 10.9595 10.9595 k = 0.0714 0.1237-0.0000 ( 6747 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8170 -32.8170 -14.1259 -14.1259 -13.7759 -13.7759 -13.7050 -13.7050 -4.0934 -4.0934 -2.5752 -2.5752 2.1661 2.1661 5.2334 5.2334 5.7436 5.7436 6.4895 6.4895 6.8180 6.8180 7.2418 7.2418 9.2449 9.2449 10.4284 10.4284 10.4718 10.4718 10.8588 10.8588 k = 0.0655 0.1134-0.0000 ( 6747 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8174 -32.8174 -14.1249 -14.1249 -13.7748 -13.7748 -13.7023 -13.7023 -4.1182 -4.1182 -2.5868 -2.5868 2.1358 2.1358 5.3344 5.3344 5.7874 5.7874 6.6150 6.6150 6.8832 6.8832 7.2754 7.2754 9.2208 9.2208 10.4051 10.4051 10.4923 10.4923 10.7622 10.7622 k = 0.0595 0.1031-0.0000 ( 6749 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8178 -32.8178 -14.1241 -14.1241 -13.7738 -13.7738 -13.6998 -13.6998 -4.1410 -4.1410 -2.5975 -2.5975 2.1080 2.1080 5.4319 5.4319 5.8260 5.8260 6.7392 6.7392 6.9449 6.9449 7.3079 7.3079 9.1979 9.1979 10.3805 10.3805 10.5084 10.5084 10.6707 10.6707 k = 0.0536 0.0928-0.0000 ( 6757 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8181 -32.8181 -14.1234 -14.1234 -13.7729 -13.7729 -13.6974 -13.6974 -4.1616 -4.1616 -2.6073 -2.6073 2.0828 2.0828 5.5251 5.5251 5.8599 5.8599 6.8604 6.8604 7.0025 7.0025 7.3396 7.3396 9.1762 9.1762 10.3544 10.3544 10.5155 10.5155 10.5870 10.5870 k = 0.0476 0.0825-0.0000 ( 6761 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8184 -32.8184 -14.1227 -14.1227 -13.7721 -13.7721 -13.6952 -13.6952 -4.1802 -4.1802 -2.6161 -2.6161 2.0601 2.0601 5.6129 5.6129 5.8894 5.8894 6.9760 6.9760 7.0560 7.0560 7.3709 7.3709 9.1559 9.1559 10.3268 10.3268 10.4880 10.4880 10.5345 10.5345 k = 0.0417 0.0722-0.0000 ( 6755 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8187 -32.8187 -14.1222 -14.1222 -13.7715 -13.7715 -13.6932 -13.6932 -4.1966 -4.1966 -2.6240 -2.6240 2.0400 2.0400 5.6943 5.6943 5.9150 5.9150 7.0745 7.0745 7.1144 7.1144 7.4016 7.4016 9.1370 9.1370 10.2981 10.2981 10.4203 10.4203 10.5178 10.5178 k = 0.0357 0.0619-0.0000 ( 6745 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8190 -32.8190 -14.1217 -14.1217 -13.7709 -13.7709 -13.6914 -13.6914 -4.2109 -4.2109 -2.6308 -2.6308 2.0225 2.0225 5.7681 5.7681 5.9368 5.9368 7.1281 7.1281 7.2032 7.2032 7.4317 7.4317 9.1197 9.1197 10.2687 10.2687 10.3544 10.3544 10.4959 10.4959 k = 0.0298 0.0515-0.0000 ( 6757 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8192 -32.8192 -14.1213 -14.1213 -13.7704 -13.7704 -13.6899 -13.6899 -4.2230 -4.2230 -2.6367 -2.6367 2.0076 2.0076 5.8329 5.8329 5.9552 5.9552 7.1621 7.1621 7.2944 7.2944 7.4605 7.4605 9.1043 9.1043 10.2398 10.2398 10.2960 10.2960 10.4669 10.4669 k = 0.0238 0.0412-0.0000 ( 6743 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8194 -32.8194 -14.1209 -14.1209 -13.7700 -13.7700 -13.6886 -13.6886 -4.2330 -4.2330 -2.6414 -2.6414 1.9955 1.9955 5.8876 5.8876 5.9705 5.9705 7.1878 7.1878 7.3746 7.3746 7.4872 7.4872 9.0908 9.0908 10.2127 10.2127 10.2465 10.2465 10.4352 10.4352 k = 0.0179 0.0309-0.0000 ( 6743 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8195 -32.8195 -14.1207 -14.1207 -13.7696 -13.7696 -13.6876 -13.6876 -4.2407 -4.2407 -2.6452 -2.6452 1.9860 1.9860 5.9304 5.9304 5.9832 5.9832 7.2067 7.2067 7.4394 7.4394 7.5111 7.5111 9.0798 9.0798 10.1889 10.1889 10.2070 10.2070 10.4052 10.4052 k = 0.0119 0.0206-0.0000 ( 6737 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8196 -32.8196 -14.1205 -14.1205 -13.7694 -13.7694 -13.6869 -13.6869 -4.2463 -4.2463 -2.6479 -2.6479 1.9792 1.9792 5.9598 5.9598 5.9943 5.9943 7.2198 7.2198 7.4851 7.4851 7.5321 7.5321 9.0715 9.0715 10.1703 10.1703 10.1783 10.1783 10.3810 10.3810 k = 0.0060 0.0103-0.0000 ( 6745 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8196 -32.8196 -14.1204 -14.1204 -13.7693 -13.7693 -13.6865 -13.6865 -4.2496 -4.2496 -2.6495 -2.6495 1.9751 1.9751 5.9750 5.9750 6.0036 6.0036 7.2274 7.2274 7.5097 7.5097 7.5488 7.5488 9.0664 9.0664 10.1579 10.1579 10.1612 10.1612 10.3654 10.3654 k = 0.0000 0.0000 0.0000 ( 6761 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7692 -13.7692 -13.6863 -13.6863 -4.2507 -4.2507 -2.6500 -2.6500 1.9738 1.9738 5.9793 5.9793 6.0076 6.0076 7.2299 7.2299 7.5169 7.5169 7.5556 7.5556 9.0646 9.0646 10.1531 10.1531 10.1560 10.1560 10.3600 10.3600 k = 0.0000 0.0000 0.0000 ( 6761 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7692 -13.7692 -13.6863 -13.6863 -4.2507 -4.2507 -2.6500 -2.6500 1.9738 1.9738 5.9793 5.9793 6.0076 6.0076 7.2299 7.2299 7.5169 7.5169 7.5556 7.5556 9.0646 9.0646 10.1531 10.1531 10.1560 10.1560 10.3600 10.3600 k = 0.0000 0.0000 0.0118 ( 6731 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7692 -13.7692 -13.6863 -13.6863 -4.2497 -4.2497 -2.6522 -2.6522 1.9779 1.9779 5.9803 5.9803 6.0085 6.0085 7.2160 7.2160 7.5139 7.5139 7.5527 7.5527 9.0753 9.0753 10.1560 10.1560 10.1589 10.1589 10.3606 10.3606 k = 0.0000 0.0000 0.0236 ( 6732 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7693 -13.7693 -13.6863 -13.6863 -4.2466 -4.2466 -2.6589 -2.6589 1.9904 1.9904 5.9832 5.9832 6.0115 6.0115 7.1754 7.1754 7.5049 7.5049 7.5440 7.5440 9.1062 9.1062 10.1646 10.1646 10.1677 10.1677 10.3621 10.3621 k = 0.0000 0.0000 0.0354 ( 6732 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7693 -13.7693 -13.6863 -13.6863 -4.2415 -4.2415 -2.6698 -2.6698 2.0110 2.0110 5.9880 5.9880 6.0163 6.0163 7.1108 7.1108 7.4904 7.4904 7.5296 7.5296 9.1541 9.1541 10.1784 10.1784 10.1817 10.1817 10.3649 10.3649 k = 0.0000 0.0000 0.0472 ( 6762 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7693 -13.7693 -13.6863 -13.6863 -4.2344 -4.2344 -2.6850 -2.6850 2.0395 2.0395 5.9948 5.9948 6.0231 6.0231 7.0263 7.0263 7.4706 7.4706 7.5099 7.5099 9.2148 9.2148 10.1965 10.1965 10.2002 10.2002 10.3688 10.3688 k = 0.0000 0.0000 0.0590 ( 6768 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7693 -13.7693 -13.6863 -13.6863 -4.2254 -4.2254 -2.7040 -2.7040 2.0759 2.0759 6.0035 6.0035 6.0318 6.0318 6.9256 6.9256 7.4461 7.4461 7.4853 7.4853 9.2839 9.2839 10.2180 10.2180 10.2220 10.2220 10.3741 10.3741 k = 0.0000 0.0000 0.0708 ( 6762 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1204 -14.1204 -13.7693 -13.7693 -13.6863 -13.6863 -4.2144 -4.2144 -2.7268 -2.7268 2.1197 2.1197 6.0140 6.0140 6.0424 6.0424 6.8126 6.8126 7.4173 7.4173 7.4563 7.4563 9.3575 9.3575 10.2413 10.2413 10.2457 10.2457 10.3809 10.3809 k = 0.0000 0.0000 0.0826 ( 6768 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1205 -14.1205 -13.7693 -13.7693 -13.6863 -13.6863 -4.2015 -4.2015 -2.7529 -2.7529 2.1706 2.1706 6.0264 6.0264 6.0549 6.0549 6.6901 6.6901 7.3848 7.3848 7.4234 7.4234 9.4322 9.4322 10.2649 10.2649 10.2695 10.2695 10.3894 10.3894 k = 0.0000 0.0000 0.0944 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1205 -14.1205 -13.7694 -13.7694 -13.6863 -13.6863 -4.1869 -4.1869 -2.7820 -2.7820 2.2283 2.2283 6.0407 6.0407 6.0692 6.0692 6.5606 6.5606 7.3489 7.3489 7.3871 7.3871 9.5051 9.5051 10.2868 10.2868 10.2916 10.2916 10.3997 10.3997 k = 0.0000 0.0000 0.1062 ( 6762 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1205 -14.1205 -13.7694 -13.7694 -13.6863 -13.6863 -4.1705 -4.1705 -2.8137 -2.8137 2.2923 2.2923 6.0567 6.0567 6.0853 6.0853 6.4262 6.4262 7.3102 7.3102 7.3480 7.3480 9.5742 9.5742 10.3054 10.3054 10.3103 10.3103 10.4119 10.4119 k = 0.0000 0.0000 0.1180 ( 6768 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1205 -14.1205 -13.7694 -13.7694 -13.6863 -13.6863 -4.1525 -4.1525 -2.8477 -2.8477 2.3621 2.3621 6.0745 6.0745 6.1032 6.1032 6.2884 6.2884 7.2693 7.2693 7.3066 7.3066 9.6378 9.6378 10.3194 10.3194 10.3242 10.3242 10.4261 10.4261 k = 0.0000 0.0000 0.1297 ( 6768 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1206 -14.1206 -13.7695 -13.7695 -13.6863 -13.6863 -4.1329 -4.1329 -2.8835 -2.8835 2.4372 2.4372 6.0939 6.0939 6.1227 6.1227 6.1485 6.1485 7.2265 7.2265 7.2633 7.2633 9.6950 9.6950 10.3282 10.3282 10.3327 10.3327 10.4421 10.4421 k = 0.0000 0.0000 0.1415 ( 6768 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1206 -14.1206 -13.7695 -13.7695 -13.6863 -13.6863 -4.1120 -4.1120 -2.9208 -2.9208 2.5171 2.5171 6.0076 6.0076 6.1149 6.1149 6.1438 6.1438 7.1825 7.1825 7.2188 7.2188 9.7452 9.7452 10.3317 10.3317 10.3360 10.3360 10.4597 10.4597 k = 0.0000 0.0000 0.1533 ( 6768 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1206 -14.1206 -13.7695 -13.7695 -13.6863 -13.6863 -4.0900 -4.0900 -2.9589 -2.9589 2.6012 2.6012 5.8668 5.8668 6.1373 6.1373 6.1664 6.1664 7.1377 7.1377 7.1734 7.1734 9.7884 9.7884 10.3308 10.3308 10.3347 10.3347 10.4784 10.4784 k = 0.0000 0.0000 0.1651 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1207 -14.1207 -13.7696 -13.7696 -13.6863 -13.6863 -4.0670 -4.0670 -2.9975 -2.9975 2.6887 2.6887 5.7270 5.7270 6.1611 6.1611 6.1903 6.1903 7.0924 7.0924 7.1277 7.1277 9.8249 9.8249 10.3264 10.3264 10.3301 10.3301 10.4976 10.4976 k = 0.0000 0.0000 0.1769 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1207 -14.1207 -13.7696 -13.7696 -13.6863 -13.6863 -4.0433 -4.0433 -3.0360 -3.0360 2.7788 2.7788 5.5894 5.5894 6.1861 6.1861 6.2154 6.2154 7.0473 7.0473 7.0821 7.0821 9.8551 9.8551 10.3197 10.3197 10.3230 10.3230 10.5169 10.5169 k = 0.0000 0.0000 0.1887 ( 6768 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1207 -14.1207 -13.7696 -13.7696 -13.6863 -13.6863 -4.0193 -4.0193 -3.0739 -3.0739 2.8706 2.8706 5.4549 5.4549 6.2120 6.2120 6.2415 6.2415 7.0027 7.0027 7.0370 7.0370 9.8799 9.8799 10.3116 10.3116 10.3146 10.3146 10.5356 10.5356 k = 0.0000 0.0000 0.2005 ( 6762 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1207 -14.1207 -13.7696 -13.7696 -13.6863 -13.6863 -3.9954 -3.9954 -3.1105 -3.1105 2.9627 2.9627 5.3250 5.3250 6.2385 6.2385 6.2681 6.2681 6.9592 6.9592 6.9931 6.9931 9.8999 9.8999 10.3029 10.3029 10.3058 10.3058 10.5532 10.5532 k = 0.0000 0.0000 0.2123 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.9721 -3.9721 -3.1451 -3.1451 3.0536 3.0536 5.2013 5.2013 6.2652 6.2652 6.2950 6.2950 6.9175 6.9175 6.9510 6.9510 9.9158 9.9158 10.2944 10.2944 10.2970 10.2970 10.5691 10.5691 k = 0.0000 0.0000 0.2241 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.9501 -3.9501 -3.1770 -3.1770 3.1412 3.1412 5.0859 5.0859 6.2914 6.2914 6.3214 6.3214 6.8783 6.8783 6.9114 6.9114 9.9283 9.9283 10.2864 10.2864 10.2889 10.2889 10.5831 10.5831 k = 0.0000 0.0000 0.2359 ( 6732 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.9301 -3.9301 -3.2052 -3.2052 3.2226 3.2226 4.9818 4.9818 6.3163 6.3163 6.3464 6.3464 6.8426 6.8426 6.8754 6.8754 9.9379 9.9379 10.2795 10.2795 10.2818 10.2818 10.5949 10.5949 k = 0.0000 0.0000 0.2477 ( 6732 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.9132 -3.9132 -3.2286 -3.2286 3.2941 3.2941 4.8926 4.8926 6.3386 6.3386 6.3689 6.3689 6.8118 6.8118 6.8442 6.8442 9.9449 9.9449 10.2738 10.2738 10.2761 10.2761 10.6042 10.6042 k = 0.0000 0.0000 0.2595 ( 6738 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.9001 -3.9001 -3.2464 -3.2464 3.3509 3.3509 4.8232 4.8232 6.3567 6.3567 6.3872 6.3872 6.7876 6.7876 6.8198 6.8198 9.9497 9.9497 10.2696 10.2696 10.2718 10.2718 10.6109 10.6109 k = 0.0000 0.0000 0.2713 ( 6744 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.8918 -3.8918 -3.2575 -3.2575 3.3879 3.3879 4.7786 4.7786 6.3687 6.3687 6.3993 6.3993 6.7719 6.7719 6.8039 6.8039 9.9525 9.9525 10.2670 10.2670 10.2692 10.2692 10.6150 10.6150 k = 0.0000 0.0000 0.2831 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.8890 -3.8890 -3.2613 -3.2613 3.4008 3.4008 4.7631 4.7631 6.3730 6.3730 6.4036 6.4036 6.7664 6.7664 6.7984 6.7984 9.9534 9.9534 10.2662 10.2662 10.2684 10.2684 10.6163 10.6163 k = 0.0000 0.0000 0.2831 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.8890 -3.8890 -3.2613 -3.2613 3.4008 3.4008 4.7631 4.7631 6.3730 6.3730 6.4036 6.4036 6.7664 6.7664 6.7984 6.7984 9.9534 9.9534 10.2662 10.2662 10.2684 10.2684 10.6163 10.6163 k = 0.0102 0.0059 0.2831 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8196 -32.8196 -14.1209 -14.1209 -13.7698 -13.7698 -13.6865 -13.6865 -3.8882 -3.8882 -3.2603 -3.2603 3.4011 3.4011 4.7633 4.7633 6.3667 6.3667 6.3973 6.3973 6.7643 6.7643 6.7964 6.7964 9.9580 9.9580 10.2663 10.2663 10.2715 10.2715 10.6245 10.6245 k = 0.0204 0.0118 0.2831 ( 6752 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8196 -32.8196 -14.1210 -14.1210 -13.7699 -13.7699 -13.6869 -13.6869 -3.8857 -3.8857 -3.2573 -3.2573 3.4021 3.4021 4.7638 4.7638 6.3465 6.3465 6.3804 6.3804 6.7555 6.7555 6.7930 6.7930 9.9712 9.9712 10.2654 10.2654 10.2832 10.2832 10.6480 10.6480 k = 0.0306 0.0177 0.2831 ( 6748 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8195 -32.8195 -14.1211 -14.1211 -13.7701 -13.7701 -13.6876 -13.6876 -3.8816 -3.8816 -3.2522 -3.2522 3.4037 3.4037 4.7646 4.7646 6.3103 6.3103 6.3571 6.3571 6.7354 6.7354 6.7919 6.7919 9.9909 9.9909 10.2668 10.2668 10.3028 10.3028 10.6847 10.6847 k = 0.0408 0.0236 0.2831 ( 6740 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8194 -32.8194 -14.1214 -14.1214 -13.7704 -13.7704 -13.6886 -13.6886 -3.8758 -3.8758 -3.2451 -3.2451 3.4059 3.4059 4.7653 4.7653 6.2592 6.2592 6.3289 6.3289 6.7032 6.7032 6.7928 6.7928 10.0130 10.0130 10.2751 10.2751 10.3298 10.3298 10.7314 10.7314 k = 0.0510 0.0295 0.2831 ( 6740 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8192 -32.8192 -14.1217 -14.1217 -13.7708 -13.7708 -13.6898 -13.6898 -3.8684 -3.8684 -3.2360 -3.2360 3.4087 3.4087 4.7656 4.7656 6.1963 6.1963 6.2960 6.2960 6.6600 6.6600 6.7943 6.7943 10.0323 10.0323 10.2955 10.2955 10.3640 10.3640 10.7847 10.7847 k = 0.0612 0.0353 0.2831 ( 6748 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8190 -32.8190 -14.1221 -14.1221 -13.7713 -13.7713 -13.6913 -13.6913 -3.8594 -3.8594 -3.2250 -3.2250 3.4120 3.4120 4.7651 4.7651 6.1245 6.1245 6.2587 6.2587 6.6066 6.6066 6.7952 6.7952 10.0439 10.0439 10.3317 10.3317 10.4047 10.4047 10.8401 10.8401 k = 0.0714 0.0412 0.2831 ( 6752 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8187 -32.8187 -14.1225 -14.1225 -13.7719 -13.7719 -13.6930 -13.6930 -3.8488 -3.8488 -3.2120 -3.2120 3.4159 3.4159 4.7631 4.7631 6.0465 6.0465 6.2176 6.2176 6.5438 6.5438 6.7949 6.7949 10.0462 10.0462 10.3839 10.3839 10.4513 10.4513 10.8916 10.8916 k = 0.0816 0.0471 0.2831 ( 6744 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8185 -32.8185 -14.1231 -14.1231 -13.7726 -13.7726 -13.6950 -13.6950 -3.8365 -3.8365 -3.1971 -3.1971 3.4202 3.4202 4.7588 4.7588 5.9646 5.9646 6.1732 6.1732 6.4726 6.4726 6.7930 6.7930 10.0406 10.0406 10.4490 10.4490 10.5033 10.5033 10.9304 10.9304 k = 0.0918 0.0530 0.2831 ( 6752 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8182 -32.8182 -14.1237 -14.1237 -13.7733 -13.7733 -13.6971 -13.6971 -3.8227 -3.8227 -3.1803 -3.1803 3.4249 3.4249 4.7508 4.7508 5.8817 5.8817 6.1260 6.1260 6.3939 6.3939 6.7894 6.7894 10.0290 10.0290 10.5227 10.5227 10.5597 10.5597 10.9465 10.9465 k = 0.1020 0.0589 0.2831 ( 6736 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8178 -32.8178 -14.1244 -14.1244 -13.7742 -13.7742 -13.6995 -13.6995 -3.8072 -3.8072 -3.1617 -3.1617 3.4298 3.4298 4.7379 4.7379 5.8001 5.8001 6.0766 6.0766 6.3089 6.3089 6.7839 6.7839 10.0127 10.0127 10.6007 10.6007 10.6196 10.6196 10.9355 10.9355 k = 0.1122 0.0648 0.2831 ( 6748 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8174 -32.8174 -14.1252 -14.1252 -13.7752 -13.7752 -13.7019 -13.7019 -3.7903 -3.7903 -3.1413 -3.1413 3.4350 3.4350 4.7183 4.7183 5.7228 5.7228 6.0254 6.0254 6.2184 6.2184 6.7765 6.7765 9.9925 9.9925 10.6764 10.6764 10.6828 10.6828 10.9046 10.9046 k = 0.1224 0.0707 0.2831 ( 6748 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8170 -32.8170 -14.1261 -14.1261 -13.7762 -13.7762 -13.7045 -13.7045 -3.7717 -3.7717 -3.1192 -3.1192 3.4403 3.4403 4.6899 4.6899 5.6523 5.6523 5.9727 5.9727 6.1238 6.1238 6.7673 6.7673 9.9687 9.9687 10.7366 10.7366 10.7457 10.7457 10.8755 10.8755 k = 0.1327 0.0766 0.2831 ( 6740 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8166 -32.8166 -14.1271 -14.1271 -13.7774 -13.7774 -13.7072 -13.7072 -3.7517 -3.7517 -3.0953 -3.0953 3.4455 3.4455 4.6511 4.6511 5.5912 5.5912 5.9188 5.9188 6.0259 6.0259 6.7564 6.7564 9.9412 9.9412 10.7385 10.7385 10.8076 10.8076 10.8951 10.8951 k = 0.1429 0.0825 0.2831 ( 6736 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8161 -32.8161 -14.1282 -14.1282 -13.7787 -13.7787 -13.7100 -13.7100 -3.7301 -3.7301 -3.0699 -3.0699 3.4505 3.4505 4.6006 4.6006 5.5410 5.5410 5.8637 5.8637 5.9264 5.9264 6.7438 6.7438 9.9100 9.9100 10.6932 10.6932 10.8681 10.8681 10.9524 10.9524 k = 0.1531 0.0884 0.2831 ( 6744 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8157 -32.8157 -14.1294 -14.1294 -13.7801 -13.7801 -13.7128 -13.7128 -3.7071 -3.7071 -3.0429 -3.0429 3.4550 3.4550 4.5383 4.5383 5.5019 5.5019 5.8046 5.8046 5.8295 5.8295 6.7296 6.7296 9.8750 9.8750 10.6381 10.6381 10.9247 10.9247 11.0092 11.0092 k = 0.1633 0.0943 0.2831 ( 6750 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8152 -32.8152 -14.1307 -14.1307 -13.7817 -13.7817 -13.7156 -13.7156 -3.6826 -3.6826 -3.0145 -3.0145 3.4587 3.4587 4.4649 4.4649 5.4724 5.4724 5.7199 5.7199 5.7592 5.7592 6.7141 6.7141 9.8359 9.8359 10.5831 10.5831 10.9755 10.9755 11.0524 11.0524 k = 0.1735 0.1002 0.2831 ( 6746 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8146 -32.8146 -14.1321 -14.1321 -13.7834 -13.7834 -13.7184 -13.7184 -3.6567 -3.6567 -2.9847 -2.9847 3.4613 3.4613 4.3822 4.3822 5.4475 5.4475 5.6273 5.6273 5.7027 5.7027 6.6973 6.6973 9.7928 9.7928 10.5314 10.5314 11.0193 11.0193 11.0739 11.0739 k = 0.1837 0.1060 0.2831 ( 6760 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8141 -32.8141 -14.1337 -14.1337 -13.7852 -13.7852 -13.7212 -13.7212 -3.6295 -3.6295 -2.9535 -2.9535 3.4624 3.4624 4.2923 4.2923 5.4130 5.4130 5.5523 5.5523 5.6477 5.6477 6.6794 6.6794 9.7458 9.7458 10.4841 10.4841 11.0551 11.0551 11.0688 11.0688 k = 0.1939 0.1119 0.2831 ( 6762 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8136 -32.8136 -14.1353 -14.1353 -13.7871 -13.7871 -13.7238 -13.7238 -3.6009 -3.6009 -2.9212 -2.9212 3.4612 3.4612 4.1974 4.1974 5.3481 5.3481 5.5156 5.5156 5.5937 5.5937 6.6605 6.6605 9.6953 9.6953 10.4419 10.4419 11.0360 11.0360 11.0846 11.0846 k = 0.2041 0.1178 0.2831 ( 6762 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8130 -32.8130 -14.1370 -14.1370 -13.7891 -13.7891 -13.7264 -13.7264 -3.5710 -3.5710 -2.8878 -2.8878 3.4571 3.4571 4.0996 4.0996 5.2605 5.2605 5.5083 5.5083 5.5412 5.5412 6.6409 6.6409 9.6419 9.6419 10.4049 10.4049 10.9821 10.9821 11.1069 11.1069 k = 0.2143 0.1237 0.2831 ( 6756 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8124 -32.8124 -14.1389 -14.1389 -13.7913 -13.7913 -13.7288 -13.7288 -3.5400 -3.5400 -2.8534 -2.8534 3.4489 3.4489 4.0012 4.0012 5.1664 5.1664 5.4850 5.4850 5.5192 5.5192 6.6206 6.6206 9.5860 9.5860 10.3728 10.3728 10.9130 10.9130 11.1240 11.1240 k = 0.2245 0.1296 0.2831 ( 6752 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8118 -32.8118 -14.1408 -14.1408 -13.7936 -13.7936 -13.7311 -13.7311 -3.5077 -3.5077 -2.8181 -2.8181 3.4351 3.4351 3.9043 3.9043 5.0722 5.0722 5.4345 5.4345 5.5322 5.5322 6.5997 6.5997 9.5284 9.5284 10.3453 10.3453 10.8344 10.8344 11.1370 11.1370 k = 0.2347 0.1355 0.2831 ( 6768 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8112 -32.8112 -14.1429 -14.1429 -13.7960 -13.7960 -13.7332 -13.7332 -3.4744 -3.4744 -2.7821 -2.7821 3.4134 3.4134 3.8115 3.8115 4.9807 4.9807 5.3841 5.3841 5.5504 5.5504 6.5785 6.5785 9.4697 9.4697 10.3218 10.3218 10.7505 10.7505 11.1467 11.1467 k = 0.2449 0.1414 0.2831 ( 6760 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8106 -32.8106 -14.1450 -14.1450 -13.7985 -13.7985 -13.7352 -13.7352 -3.4400 -3.4400 -2.7455 -2.7455 3.3811 3.3811 3.7257 3.7257 4.8933 4.8933 5.3348 5.3348 5.5716 5.5716 6.5571 6.5571 9.4105 9.4105 10.3017 10.3017 10.6643 10.6643 11.1537 11.1537 k = 0.2551 0.1473 0.2831 ( 6764 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8100 -32.8100 -14.1472 -14.1472 -13.8011 -13.8011 -13.7370 -13.7370 -3.4047 -3.4047 -2.7084 -2.7084 3.3354 3.3354 3.6495 3.6495 4.8113 4.8113 5.2868 5.2868 5.5950 5.5950 6.5355 6.5355 9.3512 9.3512 10.2840 10.2840 10.5783 10.5783 11.1586 11.1586 k = 0.2653 0.1532 0.2831 ( 6760 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8094 -32.8094 -14.1495 -14.1495 -13.8038 -13.8038 -13.7387 -13.7387 -3.3685 -3.3685 -2.6711 -2.6711 3.2756 3.2756 3.5837 3.5837 4.7358 4.7358 5.2402 5.2402 5.6197 5.6197 6.5139 6.5139 9.2923 9.2923 10.2670 10.2670 10.4954 10.4954 11.1618 11.1618 k = 0.2755 0.1591 0.2831 ( 6762 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8088 -32.8088 -14.1519 -14.1519 -13.8064 -13.8064 -13.7402 -13.7402 -3.3316 -3.3316 -2.6336 -2.6336 3.2037 3.2037 3.5260 3.5260 4.6677 4.6677 5.1950 5.1950 5.6454 5.6454 6.4925 6.4925 9.2340 9.2340 10.2467 10.2467 10.4203 10.4203 11.1634 11.1634 k = 0.2857 0.1650 0.2831 ( 6754 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8082 -32.8082 -14.1543 -14.1543 -13.8091 -13.8091 -13.7416 -13.7416 -3.2939 -3.2939 -2.5961 -2.5961 3.1239 3.1239 3.4723 3.4723 4.6077 4.6077 5.1515 5.1515 5.6717 5.6717 6.4712 6.4712 9.1766 9.1766 10.2149 10.2149 10.3619 10.3619 11.1637 11.1637 k = 0.2959 0.1708 0.2831 ( 6762 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8077 -32.8077 -14.1567 -14.1567 -13.8118 -13.8118 -13.7428 -13.7428 -3.2558 -3.2558 -2.5589 -2.5589 3.0401 3.0401 3.4187 3.4187 4.5561 4.5561 5.1096 5.1096 5.6983 5.6983 6.4504 6.4504 9.1202 9.1202 10.1638 10.1638 10.3285 10.3285 11.1628 11.1628 k = 0.3061 0.1767 0.2831 ( 6746 PWs) bands (ev): -93.2010 -93.2010 -93.2005 -93.2005 -32.8071 -32.8071 -14.1592 -14.1592 -13.8144 -13.8144 -13.7439 -13.7439 -3.2172 -3.2172 -2.5221 -2.5221 2.9551 2.9551 3.3630 3.3630 4.5130 4.5130 5.0693 5.0693 5.7248 5.7248 6.4299 6.4299 9.0648 9.0648 10.0991 10.0991 10.3152 10.3152 11.1609 11.1609 k = 0.3163 0.1826 0.2831 ( 6746 PWs) bands (ev): -93.2010 -93.2010 -93.2005 -93.2005 -32.8065 -32.8065 -14.1617 -14.1617 -13.8171 -13.8171 -13.7448 -13.7448 -3.1783 -3.1783 -2.4859 -2.4859 2.8710 2.8710 3.3041 3.3041 4.4781 4.4781 5.0309 5.0309 5.7510 5.7510 6.4100 6.4100 9.0106 9.0106 10.0300 10.0300 10.3127 10.3127 11.1581 11.1581 k = 0.3265 0.1885 0.2831 ( 6746 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8060 -32.8060 -14.1642 -14.1642 -13.8196 -13.8196 -13.7456 -13.7456 -3.1393 -3.1393 -2.4504 -2.4504 2.7890 2.7890 3.2417 3.2417 4.4507 4.4507 4.9943 4.9943 5.7768 5.7768 6.3907 6.3907 8.9576 8.9576 9.9615 9.9615 10.3166 10.3166 11.1545 11.1545 k = 0.3367 0.1944 0.2831 ( 6748 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8055 -32.8055 -14.1666 -14.1666 -13.8221 -13.8221 -13.7464 -13.7464 -3.1004 -3.1004 -2.4160 -2.4160 2.7101 2.7101 3.1763 3.1763 4.4299 4.4299 4.9596 4.9596 5.8020 5.8020 6.3722 6.3722 8.9057 8.9057 9.8958 9.8958 10.3249 10.3249 11.1502 11.1502 k = 0.3469 0.2003 0.2831 ( 6744 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8050 -32.8050 -14.1690 -14.1690 -13.8244 -13.8244 -13.7470 -13.7470 -3.0617 -3.0617 -2.3829 -2.3829 2.6349 2.6349 3.1086 3.1086 4.4148 4.4148 4.9267 4.9267 5.8264 5.8264 6.3544 6.3544 8.8551 8.8551 9.8339 9.8339 10.3367 10.3367 11.1454 11.1454 k = 0.3571 0.2062 0.2831 ( 6738 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8045 -32.8045 -14.1714 -14.1714 -13.8267 -13.8267 -13.7476 -13.7476 -3.0234 -3.0234 -2.3511 -2.3511 2.5640 2.5640 3.0394 3.0394 4.4045 4.4045 4.8959 4.8959 5.8499 5.8499 6.3374 6.3374 8.8057 8.8057 9.7763 9.7763 10.3515 10.3515 11.1403 11.1403 k = 0.3673 0.2121 0.2831 ( 6742 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8040 -32.8040 -14.1737 -14.1737 -13.8289 -13.8289 -13.7480 -13.7480 -2.9858 -2.9858 -2.3210 -2.3210 2.4978 2.4978 2.9695 2.9695 4.3982 4.3982 4.8670 4.8670 5.8724 5.8724 6.3214 6.3214 8.7579 8.7579 9.7234 9.7234 10.3690 10.3690 11.1348 11.1349 k = 0.3776 0.2180 0.2831 ( 6750 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8036 -32.8036 -14.1759 -14.1759 -13.8309 -13.8309 -13.7485 -13.7485 -2.9491 -2.9491 -2.2926 -2.2926 2.4368 2.4368 2.8998 2.8998 4.3949 4.3949 4.8401 4.8401 5.8937 5.8937 6.3063 6.3063 8.7117 8.7117 9.6752 9.6752 10.3888 10.3888 11.1293 11.1293 k = 0.3878 0.2239 0.2831 ( 6754 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8032 -32.8032 -14.1780 -14.1780 -13.8328 -13.8328 -13.7488 -13.7488 -2.9136 -2.9136 -2.2663 -2.2663 2.3811 2.3811 2.8312 2.8312 4.3940 4.3940 4.8154 4.8154 5.9138 5.9138 6.2923 6.2923 8.6674 8.6674 9.6318 9.6318 10.4106 10.4106 11.1237 11.1237 k = 0.3980 0.2298 0.2831 ( 6760 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8028 -32.8028 -14.1800 -14.1800 -13.8345 -13.8345 -13.7491 -13.7491 -2.8796 -2.8796 -2.2420 -2.2420 2.3312 2.3312 2.7645 2.7645 4.3948 4.3948 4.7926 4.7926 5.9325 5.9325 6.2793 6.2793 8.6252 8.6252 9.5931 9.5931 10.4340 10.4340 11.1182 11.1182 k = 0.4082 0.2357 0.2831 ( 6760 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8025 -32.8025 -14.1818 -14.1818 -13.8361 -13.8361 -13.7493 -13.7493 -2.8473 -2.8473 -2.2201 -2.2201 2.2872 2.2872 2.7002 2.7002 4.3969 4.3969 4.7720 4.7720 5.9498 5.9498 6.2675 6.2675 8.5855 8.5855 9.5589 9.5589 10.4585 10.4585 11.1129 11.1129 k = 0.4184 0.2415 0.2831 ( 6768 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8022 -32.8022 -14.1835 -14.1835 -13.8375 -13.8375 -13.7496 -13.7496 -2.8172 -2.8172 -2.2004 -2.2004 2.2491 2.2491 2.6393 2.6393 4.3998 4.3998 4.7535 4.7535 5.9656 5.9656 6.2568 6.2568 8.5487 8.5487 9.5291 9.5291 10.4838 10.4838 11.1079 11.1079 k = 0.4286 0.2474 0.2831 ( 6764 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8019 -32.8019 -14.1850 -14.1850 -13.8388 -13.8388 -13.7497 -13.7497 -2.7894 -2.7894 -2.1831 -2.1831 2.2170 2.2170 2.5822 2.5822 4.4032 4.4032 4.7372 4.7372 5.9798 5.9798 6.2473 6.2473 8.5151 8.5151 9.5034 9.5034 10.5091 10.5091 11.1033 11.1033 k = 0.4388 0.2533 0.2831 ( 6764 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8016 -32.8016 -14.1864 -14.1864 -13.8399 -13.8399 -13.7499 -13.7499 -2.7644 -2.7644 -2.1683 -2.1683 2.1909 2.1909 2.5299 2.5299 4.4066 4.4066 4.7230 4.7230 5.9923 5.9923 6.2391 6.2391 8.4850 8.4850 9.4817 9.4817 10.5338 10.5338 11.0992 11.0992 k = 0.4490 0.2592 0.2831 ( 6768 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8014 -32.8014 -14.1875 -14.1875 -13.8409 -13.8409 -13.7500 -13.7500 -2.7426 -2.7426 -2.1559 -2.1559 2.1704 2.1704 2.4829 2.4829 4.4099 4.4099 4.7109 4.7109 6.0030 6.0030 6.2321 6.2321 8.4589 8.4589 9.4638 9.4638 10.5571 10.5571 11.0955 11.0955 k = 0.4592 0.2651 0.2831 ( 6772 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8013 -32.8013 -14.1885 -14.1885 -13.8416 -13.8416 -13.7501 -13.7501 -2.7241 -2.7241 -2.1458 -2.1458 2.1553 2.1553 2.4423 2.4423 4.4129 4.4129 4.7011 4.7011 6.0118 6.0118 6.2263 6.2263 8.4371 8.4371 9.4493 9.4493 10.5782 10.5782 11.0925 11.0925 k = 0.4694 0.2710 0.2831 ( 6764 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8011 -32.8011 -14.1892 -14.1892 -13.8422 -13.8422 -13.7501 -13.7501 -2.7094 -2.7094 -2.1381 -2.1381 2.1449 2.1449 2.4090 2.4090 4.4154 4.4154 4.6934 4.6934 6.0188 6.0188 6.2219 6.2219 8.4198 8.4198 9.4383 9.4383 10.5961 10.5961 11.0901 11.0901 k = 0.4796 0.2769 0.2831 ( 6760 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1898 -14.1898 -13.8427 -13.8427 -13.7502 -13.7502 -2.6987 -2.6987 -2.1326 -2.1326 2.1385 2.1385 2.3840 2.3840 4.4173 4.4173 4.6879 4.6879 6.0238 6.0238 6.2187 6.2187 8.4072 8.4072 9.4305 9.4305 10.6097 10.6097 11.0883 11.0883 k = 0.4898 0.2828 0.2831 ( 6754 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1901 -14.1901 -13.8429 -13.8429 -13.7502 -13.7502 -2.6922 -2.6922 -2.1294 -2.1294 2.1351 2.1351 2.3684 2.3684 4.4185 4.4185 4.6846 4.6846 6.0269 6.0269 6.2168 6.2168 8.3997 8.3997 9.4259 9.4259 10.6183 10.6183 11.0872 11.1432 k = 0.5000 0.2887 0.2831 ( 6760 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6901 -2.6901 -2.1283 -2.1283 2.1341 2.1341 2.3631 2.3631 4.4188 4.4188 4.6835 4.6835 6.0279 6.0279 6.2161 6.2161 8.3971 8.3971 9.4244 9.4244 10.6213 10.6213 11.0869 11.0869 k = 0.5000 0.2887 0.2831 ( 6760 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6901 -2.6901 -2.1283 -2.1283 2.1341 2.1341 2.3631 2.3631 4.4188 4.4188 4.6835 4.6835 6.0279 6.0279 6.2161 6.2161 8.3971 8.3971 9.4244 9.4244 10.6213 10.6213 11.0869 11.0869 k = 0.4940 0.2990 0.2831 ( 6760 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7503 -13.7503 -2.6893 -2.6893 -2.1282 -2.1282 2.1350 2.1350 2.3641 2.3641 4.4197 4.4197 4.6780 4.6780 6.0263 6.0263 6.2076 6.2076 8.4033 8.4033 9.4312 9.4312 10.6200 10.6200 11.0919 11.0919 k = 0.4881 0.3093 0.2831 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8009 -32.8009 -14.1901 -14.1901 -13.8429 -13.8429 -13.7507 -13.7507 -2.6870 -2.6870 -2.1280 -2.1280 2.1378 2.1378 2.3673 2.3673 4.4224 4.4224 4.6614 4.6614 6.0217 6.0217 6.1824 6.1824 8.4216 8.4216 9.4515 9.4515 10.6167 10.6167 11.1069 11.1069 k = 0.4821 0.3196 0.2831 ( 6758 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8009 -32.8009 -14.1900 -14.1900 -13.8428 -13.8428 -13.7512 -13.7512 -2.6832 -2.6832 -2.1276 -2.1276 2.1425 2.1425 2.3726 2.3726 4.4267 4.4267 4.6342 4.6342 6.0139 6.0139 6.1417 6.1417 8.4510 8.4510 9.4845 9.4845 10.6122 10.6122 11.1311 11.1311 k = 0.4762 0.3299 0.2831 ( 6766 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8009 -32.8009 -14.1899 -14.1899 -13.8427 -13.8427 -13.7520 -13.7520 -2.6778 -2.6778 -2.1271 -2.1271 2.1491 2.1491 2.3800 2.3800 4.4327 4.4327 4.5972 4.5972 6.0023 6.0023 6.0879 6.0879 8.4900 8.4900 9.5289 9.5289 10.6080 10.6080 11.1637 11.1637 k = 0.4702 0.3402 0.2831 ( 6762 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8008 -32.8008 -14.1898 -14.1898 -13.8425 -13.8425 -13.7530 -13.7530 -2.6710 -2.6710 -2.1264 -2.1264 2.1575 2.1575 2.3895 2.3895 4.4402 4.4402 4.5513 4.5513 5.9835 5.9835 6.0264 6.0264 8.5370 8.5370 9.5828 9.5828 10.6057 10.6057 11.2042 11.2042 k = 0.4643 0.3505 0.2831 ( 6762 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8007 -32.8007 -14.1896 -14.1896 -13.8423 -13.8423 -13.7542 -13.7542 -2.6627 -2.6627 -2.1258 -2.1258 2.1678 2.1678 2.4009 2.4009 4.4482 4.4482 4.4983 4.4983 5.9322 5.9322 5.9846 5.9846 8.5902 8.5902 9.6437 9.6437 10.6074 10.6074 11.2518 11.2518 k = 0.4583 0.3608 0.2831 ( 6766 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8007 -32.8007 -14.1894 -14.1894 -13.8420 -13.8420 -13.7556 -13.7556 -2.6530 -2.6530 -2.1251 -2.1251 2.1800 2.1800 2.4143 2.4143 4.4307 4.4307 4.4652 4.4652 5.8511 5.8511 5.9619 5.9619 8.6483 8.6483 9.7086 9.7086 10.6154 10.6154 11.3063 11.3063 k = 0.4524 0.3712 0.2831 ( 6770 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8006 -32.8006 -14.1891 -14.1891 -13.8418 -13.8418 -13.7572 -13.7572 -2.6418 -2.6418 -2.1244 -2.1244 2.1940 2.1940 2.4296 2.4296 4.3660 4.3660 4.4747 4.4747 5.7610 5.7610 5.9396 5.9396 8.7098 8.7098 9.7737 9.7737 10.6324 10.6324 11.3674 11.3674 k = 0.4464 0.3815 0.2831 ( 6770 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8005 -32.8005 -14.1889 -14.1889 -13.8415 -13.8415 -13.7588 -13.7588 -2.6294 -2.6294 -2.1238 -2.1238 2.2098 2.2098 2.4467 2.4467 4.2941 4.2941 4.4875 4.4875 5.6659 5.6659 5.9155 5.9155 8.7737 8.7737 9.8348 9.8348 10.6614 10.6614 11.4352 11.4352 k = 0.4405 0.3918 0.2831 ( 6774 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8004 -32.8004 -14.1886 -14.1886 -13.8412 -13.8412 -13.7606 -13.7606 -2.6156 -2.6156 -2.1233 -2.1233 2.2275 2.2275 2.4654 2.4654 4.2182 4.2182 4.5014 4.5014 5.5680 5.5680 5.8894 5.8894 8.8391 8.8391 9.8880 9.8880 10.7049 10.7049 11.5101 11.5101 k = 0.4345 0.4021 0.2831 ( 6770 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8002 -32.8002 -14.1884 -14.1884 -13.8408 -13.8408 -13.7626 -13.7626 -2.6005 -2.6005 -2.1231 -2.1231 2.2469 2.2469 2.4856 2.4856 4.1392 4.1392 4.5157 4.5157 5.4691 5.4691 5.8611 5.8611 8.9055 8.9055 9.9303 9.9303 10.7642 10.7642 11.5924 11.5924 k = 0.4286 0.4124 0.2831 ( 6778 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8001 -32.8001 -14.1881 -14.1881 -13.8405 -13.8405 -13.7645 -13.7645 -2.5843 -2.5843 -2.1231 -2.1231 2.2682 2.2682 2.5072 2.5072 4.0583 4.0583 4.5297 4.5297 5.3709 5.3709 5.8310 5.8310 8.9723 8.9723 9.9605 9.9605 10.8386 10.8386 11.6827 11.6827 k = 0.4226 0.4227 0.2831 ( 6784 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8000 -32.8000 -14.1879 -14.1879 -13.8402 -13.8402 -13.7666 -13.7666 -2.5669 -2.5669 -2.1236 -2.1236 2.2912 2.2912 2.5300 2.5300 3.9762 3.9762 4.5424 4.5424 5.2756 5.2756 5.7990 5.7990 9.0391 9.0391 9.9795 9.9795 10.9255 10.9255 11.7817 11.7817 k = 0.4167 0.4330 0.2831 ( 6784 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7999 -32.7999 -14.1876 -14.1876 -13.8399 -13.8399 -13.7686 -13.7686 -2.5485 -2.5485 -2.1245 -2.1245 2.3159 2.3159 2.5538 2.5538 3.8937 3.8937 4.5519 4.5519 5.1856 5.1856 5.7654 5.7654 9.1055 9.1055 9.9888 9.9888 11.0214 11.0214 11.8900 11.8900 k = 0.4107 0.4433 0.2831 ( 6788 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7998 -32.7998 -14.1874 -14.1874 -13.8396 -13.8396 -13.7706 -13.7706 -2.5292 -2.5292 -2.1260 -2.1260 2.3423 2.3423 2.5784 2.5784 3.8116 3.8116 4.5557 4.5557 5.1044 5.1044 5.7303 5.7303 9.1714 9.1714 9.9906 9.9906 11.1224 11.1224 12.0081 12.0081 k = 0.4048 0.4536 0.2831 ( 6784 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7996 -32.7996 -14.1872 -14.1872 -13.8393 -13.8393 -13.7726 -13.7726 -2.5089 -2.5089 -2.1282 -2.1282 2.3703 2.3703 2.6033 2.6033 3.7306 3.7306 4.5501 4.5501 5.0366 5.0366 5.6939 5.6939 9.2363 9.2363 9.9867 9.9867 11.2250 11.2250 12.1351 12.1356 k = 0.3988 0.4639 0.2831 ( 6788 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7995 -32.7995 -14.1870 -14.1870 -13.8391 -13.8391 -13.7745 -13.7745 -2.4880 -2.4880 -2.1311 -2.1311 2.4000 2.4000 2.6282 2.6282 3.6513 3.6513 4.5310 4.5310 4.9870 4.9870 5.6563 5.6563 9.3001 9.3001 9.9785 9.9785 11.3266 11.3266 12.1929 12.1929 k = 0.3929 0.4743 0.2831 ( 6780 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7994 -32.7994 -14.1868 -14.1868 -13.8389 -13.8389 -13.7763 -13.7763 -2.4663 -2.4663 -2.1350 -2.1350 2.4310 2.4310 2.6528 2.6528 3.5742 3.5742 4.4963 4.4963 4.9584 4.9584 5.6178 5.6178 9.3623 9.3623 9.9672 9.9672 11.4250 11.4250 12.2274 12.2274 k = 0.3869 0.4846 0.2831 ( 6776 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7992 -32.7992 -14.1866 -14.1866 -13.8387 -13.8387 -13.7780 -13.7780 -2.4442 -2.4442 -2.1398 -2.1398 2.4635 2.4635 2.6765 2.6765 3.4999 3.4999 4.4482 4.4482 4.9495 4.9495 5.5785 5.5785 9.4227 9.4227 9.9535 9.9535 11.5187 11.5187 12.2468 12.2468 k = 0.3810 0.4949 0.2831 ( 6772 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7991 -32.7991 -14.1865 -14.1865 -13.8386 -13.8386 -13.7795 -13.7795 -2.4216 -2.4216 -2.1458 -2.1458 2.4972 2.4972 2.6987 2.6987 3.4291 3.4291 4.3921 4.3921 4.9557 4.9557 5.5385 5.5385 9.4807 9.4807 9.9382 9.9382 11.6065 11.6065 12.2535 12.2535 k = 0.3750 0.5052 0.2831 ( 6774 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7990 -32.7990 -14.1864 -14.1864 -13.8385 -13.8385 -13.7809 -13.7809 -2.3988 -2.3988 -2.1530 -2.1530 2.5319 2.5319 2.7188 2.7188 3.3622 3.3622 4.3334 4.3334 4.9726 4.9726 5.4979 5.4979 9.5359 9.5359 9.9217 9.9217 11.6875 11.6875 12.2505 12.2505 k = 0.3690 0.5155 0.2831 ( 6770 PWs) bands (ev): -93.2008 -93.2008 -93.2007 -93.2007 -32.7989 -32.7989 -14.1863 -14.1863 -13.8385 -13.8385 -13.7821 -13.7821 -2.3759 -2.3759 -2.1615 -2.1615 2.5672 2.5672 2.7359 2.7359 3.3000 3.3000 4.2763 4.2763 4.9967 4.9967 5.4570 5.4570 9.5878 9.5878 9.9043 9.9043 11.7604 11.7604 12.2412 12.2412 k = 0.3631 0.5258 0.2831 ( 6766 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7988 -32.7988 -14.1863 -14.1863 -13.8385 -13.8385 -13.7831 -13.7831 -2.3530 -2.3530 -2.1714 -2.1714 2.6028 2.6028 2.7495 2.7495 3.2432 3.2432 4.2241 4.2241 5.0258 5.0258 5.4159 5.4159 9.6357 9.6357 9.8865 9.8865 11.8239 11.8239 12.2286 12.2286 k = 0.3571 0.5361 0.2831 ( 6764 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7988 -32.7988 -14.1863 -14.1863 -13.8385 -13.8385 -13.7840 -13.7840 -2.3304 -2.3304 -2.1829 -2.1829 2.6378 2.6378 2.7588 2.7588 3.1928 3.1928 4.1789 4.1789 5.0586 5.0586 5.3746 5.3746 9.6790 9.6790 9.8684 9.8684 11.8768 11.8768 12.2152 12.2152 k = 0.3512 0.5464 0.2831 ( 6764 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7987 -32.7987 -14.1863 -14.1863 -13.8386 -13.8386 -13.7846 -13.7846 -2.3081 -2.3081 -2.1960 -2.1960 2.6713 2.6713 2.7632 2.7632 3.1501 3.1501 4.1425 4.1425 5.0940 5.0940 5.3333 5.3333 9.7173 9.7173 9.8502 9.8502 11.9178 11.9178 12.2029 12.2029 k = 0.3452 0.5567 0.2831 ( 6768 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7987 -32.7987 -14.1863 -14.1863 -13.8386 -13.8386 -13.7850 -13.7850 -2.2865 -2.2865 -2.2108 -2.2108 2.7017 2.7017 2.7623 2.7623 3.1168 3.1168 4.1160 4.1160 5.1314 5.1314 5.2921 5.2921 9.7499 9.7499 9.8322 9.8322 11.9463 11.9463 12.1933 12.1933 k = 0.3393 0.5670 0.2831 ( 6754 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2657 -2.2657 -2.2274 -2.2274 2.7266 2.7266 2.7563 2.7563 3.0952 3.0952 4.1001 4.1001 5.1703 5.1703 5.2511 5.2511 9.7765 9.7765 9.8144 9.8144 11.9625 11.9625 12.1873 12.1873 k = 0.3333 0.5774 0.2831 ( 6750 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7854 -13.7854 -2.2470 -2.2470 -2.2445 -2.2445 2.7415 2.7415 2.7479 2.7479 3.0876 3.0876 4.0948 4.0948 5.2087 5.2087 5.2122 5.2122 9.7948 9.7948 9.7991 9.7991 11.9675 11.9675 12.1854 12.1854 k = 0.3333 0.5774 0.2831 ( 6750 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7854 -13.7854 -2.2470 -2.2470 -2.2445 -2.2445 2.7415 2.7415 2.7479 2.7479 3.0876 3.0876 4.0948 4.0948 5.2087 5.2087 5.2122 5.2122 9.7948 9.7948 9.7991 9.7991 11.9675 11.9675 12.1853 12.1854 k = 0.3274 0.5670 0.2831 ( 6754 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2660 -2.2660 -2.2271 -2.2271 2.7288 2.7288 2.7544 2.7544 3.0952 3.0952 4.0999 4.0999 5.1701 5.1701 5.2513 5.2513 9.7799 9.7799 9.8110 9.8110 11.9631 11.9631 12.1872 12.1872 k = 0.3214 0.5567 0.2831 ( 6758 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7987 -32.7987 -14.1863 -14.1863 -13.8386 -13.8386 -13.7851 -13.7851 -2.2881 -2.2881 -2.2098 -2.2098 2.7101 2.7101 2.7561 2.7561 3.1169 3.1169 4.1148 4.1148 5.1304 5.1304 5.2925 5.2925 9.7638 9.7638 9.8187 9.8187 11.9514 11.9514 12.1919 12.1919 k = 0.3155 0.5464 0.2831 ( 6760 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7987 -32.7987 -14.1862 -14.1862 -13.8384 -13.8384 -13.7847 -13.7847 -2.3121 -2.3121 -2.1942 -2.1942 2.6891 2.6891 2.7533 2.7533 3.1501 3.1501 4.1386 4.1386 5.0912 5.0912 5.3339 5.3339 9.7484 9.7484 9.8206 9.8206 11.9343 11.9343 12.1978 12.1978 k = 0.3095 0.5361 0.2831 ( 6768 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7988 -32.7988 -14.1861 -14.1861 -13.8382 -13.8382 -13.7842 -13.7842 -2.3379 -2.3379 -2.1804 -2.1804 2.6670 2.6670 2.7489 2.7489 3.1917 3.1917 4.1704 4.1704 5.0528 5.0528 5.3752 5.3752 9.7340 9.7340 9.8173 9.8173 11.9136 11.9136 12.2025 12.2025 k = 0.3036 0.5258 0.2831 ( 6768 PWs) bands (ev): -93.2008 -93.2008 -93.2007 -93.2007 -32.7989 -32.7989 -14.1859 -14.1859 -13.8379 -13.8379 -13.7836 -13.7836 -2.3656 -2.3656 -2.1687 -2.1687 2.6451 2.6451 2.7450 2.7450 3.2396 3.2396 4.2093 4.2093 5.0151 5.0151 5.4161 5.4161 9.7205 9.7205 9.8094 9.8094 11.8907 11.8907 12.2028 12.2028 k = 0.2976 0.5155 0.2831 ( 6768 PWs) bands (ev): -93.2008 -93.2008 -93.2007 -93.2007 -32.7990 -32.7990 -14.1857 -14.1857 -13.8375 -13.8375 -13.7829 -13.7829 -2.3951 -2.3951 -2.1592 -2.1592 2.6244 2.6244 2.7431 2.7431 3.2921 3.2921 4.2542 4.2542 4.9783 4.9783 5.4563 5.4563 9.7083 9.7083 9.7977 9.7977 11.8670 11.8670 12.1953 12.1953 k = 0.2917 0.5052 0.2831 ( 6760 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7992 -32.7992 -14.1853 -14.1853 -13.8370 -13.8370 -13.7821 -13.7821 -2.4263 -2.4263 -2.1520 -2.1520 2.6060 2.6060 2.7442 2.7442 3.3482 3.3482 4.3045 4.3045 4.9424 4.9424 5.4955 5.4955 9.6972 9.6972 9.7833 9.7833 11.8431 11.8431 12.1771 12.1771 k = 0.2857 0.4949 0.2831 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7993 -32.7993 -14.1849 -14.1849 -13.8363 -13.8363 -13.7812 -13.7812 -2.4591 -2.4591 -2.1475 -2.1475 2.5907 2.5907 2.7488 2.7488 3.4073 3.4073 4.3594 4.3594 4.9076 4.9076 5.5335 5.5335 9.6876 9.6876 9.7670 9.7670 11.8200 11.8200 12.1470 12.1470 k = 0.2798 0.4846 0.2831 ( 6752 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7995 -32.7995 -14.1844 -14.1844 -13.8356 -13.8356 -13.7802 -13.7802 -2.4935 -2.4935 -2.1456 -2.1456 2.5791 2.5791 2.7572 2.7572 3.4689 3.4689 4.4183 4.4183 4.8740 4.8740 5.5698 5.5698 9.6795 9.6795 9.7498 9.7498 11.7980 11.7980 12.1059 12.1059 k = 0.2738 0.4743 0.2831 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.7998 -32.7998 -14.1838 -14.1838 -13.8348 -13.8348 -13.7791 -13.7791 -2.5293 -2.5293 -2.1465 -2.1465 2.5719 2.5719 2.7694 2.7694 3.5327 3.5327 4.4807 4.4807 4.8417 4.8417 5.6043 5.6043 9.6730 9.6730 9.7327 9.7327 11.7777 11.7777 12.0555 12.0555 k = 0.2679 0.4639 0.2831 ( 6752 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8000 -32.8000 -14.1830 -14.1830 -13.8338 -13.8338 -13.7780 -13.7780 -2.5665 -2.5665 -2.1503 -2.1503 2.5696 2.5696 2.7856 2.7856 3.5984 3.5984 4.5460 4.5460 4.8108 4.8108 5.6367 5.6367 9.6683 9.6683 9.7164 9.7164 11.7592 11.7592 11.9983 11.9983 k = 0.2619 0.4536 0.2831 ( 6748 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8003 -32.8003 -14.1822 -14.1822 -13.8328 -13.8328 -13.7768 -13.7768 -2.6049 -2.6049 -2.1570 -2.1570 2.5725 2.5725 2.8055 2.8055 3.6658 3.6658 4.6138 4.6138 4.7815 4.7815 5.6666 5.6666 9.6654 9.6654 9.7018 9.7018 11.7428 11.7428 11.9363 11.9363 k = 0.2560 0.4433 0.2831 ( 6752 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8006 -32.8006 -14.1812 -14.1812 -13.8316 -13.8316 -13.7756 -13.7756 -2.6443 -2.6443 -2.1666 -2.1666 2.5810 2.5810 2.8292 2.8292 3.7347 3.7347 4.6836 4.6836 4.7541 4.7541 5.6938 5.6938 9.6644 9.6644 9.6897 9.6897 11.7286 11.7286 11.8711 11.8711 k = 0.2500 0.4330 0.2831 ( 6738 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1801 -14.1801 -13.8304 -13.8304 -13.7743 -13.7743 -2.6848 -2.6848 -2.1792 -2.1792 2.5951 2.5951 2.8563 2.8563 3.8051 3.8051 4.7269 4.7269 4.7571 4.7571 5.7181 5.7181 9.6656 9.6656 9.6806 9.6806 11.7165 11.7165 11.8041 11.8041 k = 0.2440 0.4227 0.2831 ( 6750 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8013 -32.8013 -14.1788 -14.1788 -13.8290 -13.8290 -13.7729 -13.7729 -2.7260 -2.7260 -2.1946 -2.1946 2.6151 2.6151 2.8866 2.8866 3.8767 3.8767 4.7043 4.7043 4.8298 4.8298 5.7393 5.7393 9.6688 9.6688 9.6751 9.6751 11.7063 11.7063 11.7362 11.7362 k = 0.2381 0.4124 0.2831 ( 6754 PWs) bands (ev): -93.2009 -93.2009 -93.2006 -93.2006 -32.8017 -32.8017 -14.1775 -14.1775 -13.8276 -13.8276 -13.7715 -13.7715 -2.7679 -2.7679 -2.2128 -2.2128 2.6410 2.6410 2.9198 2.9198 3.9493 3.9493 4.6834 4.6834 4.9044 4.9044 5.7572 5.7572 9.6729 9.6729 9.6752 9.6752 11.6672 11.6672 11.6990 11.6990 k = 0.2321 0.4021 0.2831 ( 6750 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8021 -32.8021 -14.1760 -14.1760 -13.8261 -13.8261 -13.7700 -13.7700 -2.8104 -2.8104 -2.2336 -2.2336 2.6727 2.6727 2.9556 2.9556 4.0227 4.0227 4.6653 4.6653 4.9801 4.9801 5.7718 5.7718 9.6763 9.6763 9.6828 9.6828 11.5993 11.5993 11.6926 11.6926 k = 0.2262 0.3918 0.2831 ( 6750 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8026 -32.8026 -14.1744 -14.1744 -13.8244 -13.8244 -13.7684 -13.7684 -2.8532 -2.8532 -2.2569 -2.2569 2.7103 2.7103 2.9936 2.9936 4.0966 4.0966 4.6506 4.6506 5.0564 5.0564 5.7830 5.7830 9.6840 9.6840 9.6933 9.6933 11.5321 11.5321 11.6877 11.6877 k = 0.2202 0.3815 0.2831 ( 6750 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8030 -32.8030 -14.1726 -14.1726 -13.8228 -13.8228 -13.7668 -13.7668 -2.8963 -2.8963 -2.2826 -2.2826 2.7537 2.7537 3.0333 3.0333 4.1705 4.1705 4.6400 4.6400 5.1331 5.1331 5.7908 5.7908 9.6965 9.6965 9.7064 9.7064 11.4659 11.4659 11.6835 11.6835 k = 0.2143 0.3712 0.2831 ( 6742 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8035 -32.8035 -14.1708 -14.1708 -13.8210 -13.8210 -13.7652 -13.7652 -2.9396 -2.9396 -2.3104 -2.3104 2.8026 2.8026 3.0742 3.0742 4.2439 4.2439 4.6344 4.6344 5.2096 5.2096 5.7956 5.7956 9.7138 9.7138 9.7221 9.7221 11.4012 11.4012 11.6792 11.6792 k = 0.2083 0.3608 0.2831 ( 6742 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8040 -32.8040 -14.1689 -14.1689 -13.8192 -13.8192 -13.7635 -13.7635 -2.9829 -2.9829 -2.3402 -2.3402 2.8569 2.8569 3.1158 3.1158 4.3154 4.3154 4.6355 4.6355 5.2857 5.2857 5.7975 5.7975 9.7359 9.7359 9.7405 9.7405 11.3383 11.3383 11.6735 11.6735 k = 0.2024 0.3505 0.2831 ( 6742 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8045 -32.8045 -14.1668 -14.1668 -13.8173 -13.8173 -13.7617 -13.7617 -3.0261 -3.0261 -2.3717 -2.3717 2.9165 2.9165 3.1575 3.1575 4.3831 4.3831 4.6454 4.6454 5.3605 5.3605 5.7972 5.7972 9.7609 9.7609 9.7634 9.7634 11.2774 11.2774 11.6645 11.6645 k = 0.1964 0.3402 0.2831 ( 6742 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8051 -32.8051 -14.1648 -14.1648 -13.8153 -13.8153 -13.7598 -13.7598 -3.0690 -3.0690 -2.4048 -2.4048 2.9810 2.9810 3.1985 3.1985 4.4440 4.4440 4.6676 4.6676 5.4331 5.4331 5.7957 5.7957 9.7852 9.7852 9.7941 9.7941 11.2188 11.2188 11.6497 11.6497 k = 0.1905 0.3299 0.2831 ( 6742 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8056 -32.8056 -14.1626 -14.1626 -13.8133 -13.8133 -13.7579 -13.7579 -3.1116 -3.1116 -2.4391 -2.4391 3.0503 3.0503 3.2384 3.2384 4.4953 4.4953 4.7054 4.7054 5.5014 5.5014 5.7949 5.7949 9.8120 9.8120 9.8291 9.8291 11.1627 11.1627 11.6265 11.6265 k = 0.1845 0.3196 0.2831 ( 6742 PWs) bands (ev): -93.2010 -93.2010 -93.2006 -93.2006 -32.8062 -32.8062 -14.1604 -14.1604 -13.8112 -13.8112 -13.7559 -13.7559 -3.1538 -3.1538 -2.4746 -2.4746 3.1241 3.1241 3.2763 3.2763 4.5374 4.5374 4.7590 4.7590 5.5618 5.5618 5.7987 5.7987 9.8414 9.8414 9.8676 9.8676 11.1093 11.1093 11.5930 11.5930 k = 0.1786 0.3093 0.2831 ( 6730 PWs) bands (ev): -93.2010 -93.2010 -93.2005 -93.2005 -32.8068 -32.8068 -14.1582 -14.1582 -13.8091 -13.8091 -13.7538 -13.7538 -3.1954 -3.1954 -2.5110 -2.5110 3.2021 3.2021 3.3116 3.3116 4.5744 4.5744 4.8243 4.8243 5.6076 5.6076 5.8138 5.8138 9.8737 9.8737 9.9090 9.9090 11.0590 11.0590 11.5489 11.5489 k = 0.1726 0.2990 0.2831 ( 6730 PWs) bands (ev): -93.2010 -93.2010 -93.2005 -93.2005 -32.8074 -32.8074 -14.1559 -14.1559 -13.8070 -13.8070 -13.7517 -13.7517 -3.2364 -3.2364 -2.5480 -2.5480 3.2838 3.2838 3.3440 3.3440 4.6110 4.6110 4.8971 4.8971 5.6321 5.6321 5.8470 5.8470 9.9087 9.9087 9.9525 9.9525 11.0119 11.0119 11.4960 11.4960 k = 0.1667 0.2887 0.2831 ( 6746 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8080 -32.8080 -14.1537 -14.1537 -13.8049 -13.8049 -13.7494 -13.7494 -3.2767 -3.2767 -2.5855 -2.5855 3.3667 3.3667 3.3752 3.3752 4.6505 4.6505 4.9744 4.9744 5.6372 5.6372 5.8965 5.8965 9.9463 9.9463 9.9972 9.9972 10.9684 10.9684 11.4372 11.4372 k = 0.1607 0.2784 0.2831 ( 6748 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8086 -32.8086 -14.1515 -14.1515 -13.8027 -13.8027 -13.7471 -13.7471 -3.3162 -3.3162 -2.6233 -2.6233 3.3970 3.3970 3.4584 3.4584 4.6946 4.6946 5.0543 5.0543 5.6303 5.6303 5.9552 5.9552 9.9865 9.9865 10.0423 10.0423 10.9287 10.9287 11.3747 11.3747 k = 0.1548 0.2681 0.2831 ( 6750 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8092 -32.8092 -14.1493 -14.1493 -13.8006 -13.8006 -13.7447 -13.7447 -3.3548 -3.3548 -2.6612 -2.6612 3.4180 3.4180 3.5498 3.5498 4.7442 4.7442 5.1357 5.1357 5.6171 5.6171 6.0177 6.0177 10.0291 10.0291 10.0865 10.0865 10.8934 10.8934 11.3108 11.3108 k = 0.1488 0.2577 0.2831 ( 6742 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8098 -32.8098 -14.1471 -14.1471 -13.7985 -13.7985 -13.7422 -13.7422 -3.3924 -3.3924 -2.6990 -2.6990 3.4350 3.4350 3.6435 3.6435 4.7995 4.7995 5.2182 5.2182 5.6007 5.6007 6.0809 6.0809 10.0740 10.0740 10.1286 10.1286 10.8629 10.8629 11.2467 11.2467 k = 0.1429 0.2474 0.2831 ( 6742 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8104 -32.8104 -14.1450 -14.1450 -13.7963 -13.7963 -13.7396 -13.7396 -3.4290 -3.4290 -2.7365 -2.7365 3.4483 3.4483 3.7392 3.7392 4.8605 4.8605 5.3012 5.3012 5.5830 5.5830 6.1435 6.1435 10.1207 10.1207 10.1674 10.1674 10.8378 10.8378 11.1835 11.1835 k = 0.1369 0.2371 0.2831 ( 6750 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8110 -32.8110 -14.1429 -14.1429 -13.7943 -13.7943 -13.7370 -13.7370 -3.4645 -3.4645 -2.7736 -2.7736 3.4582 3.4582 3.8362 3.8362 4.9269 4.9269 5.3843 5.3843 5.5652 5.5652 6.2046 6.2046 10.1690 10.1690 10.2014 10.2014 10.8188 10.8188 11.1222 11.1222 k = 0.1310 0.2268 0.2831 ( 6754 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8117 -32.8117 -14.1409 -14.1409 -13.7922 -13.7922 -13.7342 -13.7342 -3.4989 -3.4989 -2.8101 -2.8101 3.4649 3.4649 3.9339 3.9339 4.9981 4.9981 5.4671 5.4671 5.5486 5.5486 6.2636 6.2636 10.2179 10.2179 10.2296 10.2296 10.8066 10.8066 11.0635 11.0635 k = 0.1250 0.2165 0.2831 ( 6756 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8123 -32.8123 -14.1390 -14.1390 -13.7903 -13.7903 -13.7314 -13.7314 -3.5320 -3.5320 -2.8459 -2.8459 3.4690 3.4690 4.0314 4.0314 5.0737 5.0737 5.5292 5.5292 5.5543 5.5543 6.3201 6.3201 10.2495 10.2495 10.2683 10.2683 10.8015 10.8015 11.0085 11.0085 k = 0.1190 0.2062 0.2831 ( 6760 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8129 -32.8129 -14.1372 -14.1372 -13.7884 -13.7884 -13.7285 -13.7285 -3.5639 -3.5639 -2.8808 -2.8808 3.4707 3.4707 4.1278 4.1278 5.1529 5.1529 5.5196 5.5196 5.6342 5.6342 6.3739 6.3739 10.2630 10.2630 10.3165 10.3165 10.8036 10.8036 10.9584 10.9584 k = 0.1131 0.1959 0.2831 ( 6768 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8134 -32.8134 -14.1355 -14.1355 -13.7865 -13.7865 -13.7256 -13.7256 -3.5946 -3.5946 -2.9148 -2.9148 3.4706 3.4706 4.2220 4.2220 5.2351 5.2351 5.5117 5.5117 5.7158 5.7158 6.4247 6.4247 10.2690 10.2690 10.3619 10.3619 10.8120 10.8120 10.9149 10.9149 k = 0.1071 0.1856 0.2831 ( 6760 PWs) bands (ev): -93.2011 -93.2011 -93.2005 -93.2005 -32.8140 -32.8140 -14.1339 -14.1339 -13.7848 -13.7848 -13.7226 -13.7226 -3.6238 -3.6238 -2.9476 -2.9476 3.4688 3.4688 4.3125 4.3125 5.3196 5.3196 5.5091 5.5091 5.7967 5.7967 6.4724 6.4724 10.2686 10.2686 10.4018 10.4018 10.8254 10.8254 10.8807 10.8807 k = 0.1012 0.1753 0.2831 ( 6756 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8145 -32.8145 -14.1323 -14.1323 -13.7831 -13.7831 -13.7196 -13.7196 -3.6517 -3.6517 -2.9793 -2.9793 3.4659 3.4659 4.3978 4.3978 5.4057 5.4057 5.5134 5.5134 5.8767 5.8767 6.5167 6.5167 10.2629 10.2629 10.4321 10.4321 10.8416 10.8416 10.8594 10.8594 k = 0.0952 0.1650 0.2831 ( 6752 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8151 -32.8151 -14.1309 -14.1309 -13.7816 -13.7816 -13.7166 -13.7166 -3.6782 -3.6782 -3.0097 -3.0097 3.4620 3.4620 4.4760 4.4760 5.4924 5.4924 5.5264 5.5264 5.9554 5.9554 6.5578 6.5578 10.2531 10.2531 10.4490 10.4490 10.8539 10.8539 10.8583 10.8583 k = 0.0893 0.1546 0.2831 ( 6748 PWs) bands (ev): -93.2011 -93.2011 -93.2004 -93.2004 -32.8156 -32.8156 -14.1296 -14.1296 -13.7801 -13.7801 -13.7136 -13.7136 -3.7032 -3.7032 -3.0386 -3.0386 3.4574 3.4574 4.5455 4.5455 5.5478 5.5478 5.5809 5.5809 6.0328 6.0328 6.5954 6.5954 10.2402 10.2402 10.4510 10.4510 10.8659 10.8659 10.8711 10.8711 k = 0.0833 0.1443 0.2831 ( 6752 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8161 -32.8161 -14.1284 -14.1284 -13.7788 -13.7788 -13.7106 -13.7106 -3.7268 -3.7268 -3.0661 -3.0661 3.4523 3.4523 4.6047 4.6047 5.5819 5.5819 5.6672 5.6672 6.1086 6.1086 6.6296 6.6296 10.2253 10.2253 10.4403 10.4403 10.8748 10.8748 10.8921 10.8921 k = 0.0774 0.1340 0.2831 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8165 -32.8165 -14.1273 -14.1273 -13.7775 -13.7775 -13.7078 -13.7078 -3.7488 -3.7488 -3.0920 -3.0920 3.4469 3.4469 4.6530 4.6530 5.6272 5.6272 5.7523 5.7523 6.1826 6.1826 6.6603 6.6603 10.2089 10.2089 10.4210 10.4210 10.8644 10.8644 10.9256 10.9256 k = 0.0714 0.1237 0.2831 ( 6754 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8170 -32.8170 -14.1262 -14.1262 -13.7763 -13.7763 -13.7050 -13.7050 -3.7693 -3.7693 -3.1163 -3.1163 3.4414 3.4414 4.6905 4.6905 5.6832 5.6832 5.8353 5.8353 6.2545 6.2545 6.6876 6.6876 10.1916 10.1916 10.3975 10.3975 10.8351 10.8351 10.9598 10.9598 k = 0.0655 0.1134 0.2831 ( 6748 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8174 -32.8174 -14.1253 -14.1253 -13.7752 -13.7752 -13.7023 -13.7023 -3.7882 -3.7882 -3.1389 -3.1389 3.4359 3.4359 4.7182 4.7182 5.7484 5.7484 5.9151 5.9151 6.3242 6.3242 6.7115 6.7115 10.1734 10.1734 10.3725 10.3725 10.7866 10.7866 10.9867 10.9867 k = 0.0595 0.1031 0.2831 ( 6752 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8178 -32.8178 -14.1245 -14.1245 -13.7743 -13.7743 -13.6997 -13.6997 -3.8055 -3.8055 -3.1597 -3.1597 3.4305 3.4305 4.7377 4.7377 5.8207 5.8207 5.9911 5.9911 6.3912 6.3912 6.7320 6.7320 10.1546 10.1546 10.3481 10.3481 10.7233 10.7233 10.9979 10.9979 k = 0.0536 0.0928 0.2831 ( 6752 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8181 -32.8181 -14.1238 -14.1238 -13.7734 -13.7734 -13.6974 -13.6974 -3.8213 -3.8213 -3.1787 -3.1787 3.4254 3.4254 4.7506 4.7506 5.8974 5.8974 6.0623 6.0623 6.4552 6.4552 6.7492 6.7492 10.1350 10.1350 10.3256 10.3256 10.6514 10.6514 10.9867 10.9867 k = 0.0476 0.0825 0.2831 ( 6748 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8184 -32.8184 -14.1231 -14.1231 -13.7726 -13.7726 -13.6952 -13.6952 -3.8354 -3.8354 -3.1958 -3.1958 3.4206 3.4206 4.7586 4.7586 5.9759 5.9759 6.1279 6.1279 6.5156 6.5156 6.7631 6.7631 10.1143 10.1143 10.3060 10.3060 10.5768 10.5768 10.9532 10.9532 k = 0.0417 0.0722 0.2831 ( 6732 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8187 -32.8187 -14.1226 -14.1226 -13.7719 -13.7719 -13.6932 -13.6932 -3.8479 -3.8479 -3.2110 -3.2110 3.4162 3.4162 4.7630 4.7630 6.0539 6.0539 6.1874 6.1874 6.5719 6.5719 6.7739 6.7739 10.0922 10.0922 10.2898 10.2898 10.5048 10.5048 10.9039 10.9039 k = 0.0357 0.0619 0.2831 ( 6742 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8190 -32.8190 -14.1221 -14.1221 -13.7714 -13.7714 -13.6914 -13.6914 -3.8588 -3.8588 -3.2242 -3.2242 3.4122 3.4122 4.7651 4.7651 6.1287 6.1287 6.2401 6.2401 6.6230 6.6230 6.7815 6.7815 10.0684 10.0684 10.2775 10.2775 10.4393 10.4393 10.8469 10.8469 k = 0.0298 0.0515 0.2831 ( 6738 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8192 -32.8192 -14.1217 -14.1217 -13.7709 -13.7709 -13.6899 -13.6899 -3.8680 -3.8680 -3.2355 -3.2355 3.4088 3.4088 4.7656 4.7656 6.1981 6.1981 6.2857 6.2857 6.6683 6.6683 6.7864 6.7864 10.0429 10.0429 10.2693 10.2693 10.3835 10.3835 10.7887 10.7887 k = 0.0238 0.0412 0.2831 ( 6738 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8193 -32.8193 -14.1214 -14.1214 -13.7705 -13.7705 -13.6886 -13.6886 -3.8756 -3.8756 -3.2448 -3.2448 3.4060 3.4060 4.7653 4.7653 6.2594 6.2594 6.3239 6.3239 6.7064 6.7064 6.7891 6.7891 10.0168 10.0168 10.2649 10.2649 10.3390 10.3390 10.7338 10.7338 k = 0.0179 0.0309 0.2831 ( 6744 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8195 -32.8195 -14.1211 -14.1211 -13.7701 -13.7701 -13.6876 -13.6876 -3.8814 -3.8814 -3.2520 -3.2520 3.4037 3.4037 4.7646 4.7646 6.3097 6.3097 6.3552 6.3552 6.7360 6.7360 6.7906 6.7906 9.9921 9.9921 10.2638 10.2638 10.3062 10.3062 10.6860 10.6860 k = 0.0119 0.0206 0.2831 ( 6748 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8196 -32.8196 -14.1210 -14.1210 -13.7699 -13.7699 -13.6869 -13.6869 -3.8856 -3.8856 -3.2572 -3.2572 3.4021 3.4021 4.7639 4.7639 6.3460 6.3460 6.3798 6.3798 6.7554 6.7554 6.7928 6.7928 9.9716 9.9716 10.2648 10.2648 10.2841 10.2841 10.6487 10.6487 k = 0.0060 0.0103 0.2831 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8196 -32.8196 -14.1209 -14.1209 -13.7698 -13.7698 -13.6865 -13.6865 -3.8882 -3.8882 -3.2603 -3.2603 3.4011 3.4011 4.7633 4.7633 6.3666 6.3666 6.3971 6.3971 6.7643 6.7643 6.7964 6.7964 9.9581 9.9581 10.2663 10.2663 10.2716 10.2716 10.6246 10.6246 k = 0.0000 0.0000 0.2831 ( 6756 PWs) bands (ev): -93.2012 -93.2012 -93.2004 -93.2004 -32.8197 -32.8197 -14.1208 -14.1208 -13.7697 -13.7697 -13.6863 -13.6863 -3.8890 -3.8890 -3.2613 -3.2613 3.4008 3.4008 4.7631 4.7631 6.3730 6.3730 6.4036 6.4036 6.7664 6.7664 6.7984 6.7984 9.9534 9.9534 10.2662 10.2662 10.2684 10.2684 10.6163 10.6163 k = 0.5000 0.2887 0.2831 ( 6760 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6901 -2.6901 -2.1283 -2.1283 2.1341 2.1341 2.3631 2.3631 4.4188 4.4188 4.6835 4.6835 6.0279 6.0279 6.2161 6.2161 8.3971 8.3971 9.4244 9.4244 10.6213 10.6213 11.0869 11.0869 k = 0.5000 0.2887 0.2713 ( 6766 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6897 -2.6897 -2.1289 -2.1289 2.1316 2.1316 2.3674 2.3674 4.4179 4.4179 4.6842 4.6842 6.0231 6.0231 6.2147 6.2147 8.3977 8.3977 9.4305 9.4305 10.6168 10.6168 11.0903 11.0903 k = 0.5000 0.2887 0.2595 ( 6754 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6885 -2.6885 -2.1306 -2.1306 2.1248 2.1248 2.3798 2.3798 4.4152 4.4152 4.6861 4.6861 6.0087 6.0087 6.2104 6.2104 8.3994 8.3994 9.4487 9.4487 10.6047 10.6047 11.1004 11.1004 k = 0.5000 0.2887 0.2477 ( 6754 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6866 -2.6866 -2.1334 -2.1334 2.1149 2.1149 2.3991 2.3991 4.4108 4.4108 4.6893 4.6893 5.9853 5.9853 6.2032 6.2032 8.4024 8.4024 9.4784 9.4784 10.5879 10.5879 11.1173 11.1173 k = 0.5000 0.2887 0.2359 ( 6762 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6840 -2.6840 -2.1374 -2.1374 2.1030 2.1030 2.4238 2.4238 4.4047 4.4047 4.6938 4.6938 5.9531 5.9531 6.1935 6.1935 8.4065 8.4065 9.5188 9.5188 10.5699 10.5699 11.1408 11.1408 k = 0.5000 0.2887 0.2241 ( 6754 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6806 -2.6806 -2.1424 -2.1424 2.0904 2.0904 2.4529 2.4529 4.3971 4.3971 4.6994 4.6994 5.9131 5.9131 6.1813 6.1813 8.4118 8.4118 9.5687 9.5687 10.5535 10.5535 11.1707 11.1707 k = 0.5000 0.2887 0.2123 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6765 -2.6765 -2.1484 -2.1484 2.0776 2.0776 2.4855 2.4855 4.3881 4.3881 4.7062 4.7062 5.8660 5.8660 6.1667 6.1667 8.4181 8.4181 9.6268 9.6268 10.5408 10.5408 11.2070 11.2070 k = 0.5000 0.2887 0.2005 ( 6764 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6718 -2.6718 -2.1553 -2.1553 2.0651 2.0651 2.5210 2.5210 4.3780 4.3780 4.7141 4.7141 5.8128 5.8128 6.1502 6.1502 8.4252 8.4252 9.6919 9.6919 10.5335 10.5335 11.2495 11.2495 k = 0.5000 0.2887 0.1887 ( 6774 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6664 -2.6664 -2.1631 -2.1631 2.0532 2.0532 2.5590 2.5590 4.3668 4.3668 4.7230 4.7230 5.7544 5.7544 6.1318 6.1318 8.4330 8.4330 9.7624 9.7624 10.5328 10.5328 11.2980 11.2980 k = 0.5000 0.2887 0.1769 ( 6766 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6604 -2.6604 -2.1717 -2.1717 2.0420 2.0420 2.5989 2.5989 4.3550 4.3550 4.7328 4.7328 5.6918 5.6918 6.1119 6.1119 8.4411 8.4411 9.8368 9.8368 10.5399 10.5399 11.3522 11.3522 k = 0.5000 0.2887 0.1651 ( 6762 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7502 -13.7502 -2.6539 -2.6539 -2.1810 -2.1810 2.0316 2.0316 2.6405 2.6405 4.3426 4.3426 4.7435 4.7435 5.6261 5.6261 6.0907 6.0907 8.4492 8.4492 9.9137 9.9137 10.5552 10.5552 11.4120 11.4120 k = 0.5000 0.2887 0.1533 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.6468 -2.6468 -2.1909 -2.1909 2.0221 2.0221 2.6834 2.6834 4.3300 4.3300 4.7548 4.7548 5.5583 5.5583 6.0686 6.0686 8.4571 8.4571 9.9915 9.9915 10.5795 10.5795 11.4770 11.4770 k = 0.5000 0.2887 0.1415 ( 6760 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.6393 -2.6393 -2.2012 -2.2012 2.0135 2.0135 2.7272 2.7272 4.3173 4.3173 4.7666 4.7666 5.4892 5.4892 6.0460 6.0460 8.4645 8.4645 10.0689 10.0689 10.6127 10.6127 11.5472 11.5472 k = 0.5000 0.2887 0.1297 ( 6756 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.6315 -2.6315 -2.2118 -2.2118 2.0057 2.0057 2.7714 2.7714 4.3047 4.3047 4.7788 4.7788 5.4199 5.4199 6.0230 6.0230 8.4712 8.4712 10.1445 10.1445 10.6547 10.6547 11.6221 11.6221 k = 0.5000 0.2887 0.1180 ( 6752 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.6235 -2.6235 -2.2226 -2.2226 1.9987 1.9987 2.8156 2.8156 4.2926 4.2926 4.7912 4.7912 5.3512 5.3512 6.0002 6.0002 8.4772 8.4772 10.2176 10.2176 10.7046 10.7046 11.7017 11.7017 k = 0.5000 0.2887 0.1062 ( 6752 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.6153 -2.6153 -2.2335 -2.2335 1.9926 1.9926 2.8591 2.8591 4.2811 4.2811 4.8035 4.8035 5.2843 5.2843 5.9779 5.9779 8.4822 8.4822 10.2876 10.2876 10.7606 10.7606 11.7855 11.7856 k = 0.5000 0.2887 0.0944 ( 6762 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.6071 -2.6071 -2.2442 -2.2442 1.9872 1.9872 2.9015 2.9015 4.2704 4.2704 4.8156 4.8156 5.2201 5.2201 5.9565 5.9565 8.4864 8.4864 10.3541 10.3541 10.8207 10.8207 11.8735 11.8735 k = 0.5000 0.2887 0.0826 ( 6762 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5991 -2.5991 -2.2545 -2.2545 1.9825 1.9825 2.9419 2.9419 4.2607 4.2607 4.8271 4.8271 5.1595 5.1595 5.9364 5.9364 8.4898 8.4898 10.4169 10.4169 10.8820 10.8820 11.9653 11.9653 k = 0.5000 0.2887 0.0708 ( 6764 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5914 -2.5914 -2.2643 -2.2643 1.9785 1.9785 2.9795 2.9795 4.2521 4.2521 4.8379 4.8379 5.1038 5.1038 5.9179 5.9179 8.4924 8.4924 10.4758 10.4758 10.9414 10.9414 12.0606 12.0606 k = 0.5000 0.2887 0.0590 ( 6766 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5843 -2.5843 -2.2732 -2.2732 1.9753 1.9753 3.0136 3.0136 4.2447 4.2447 4.8476 4.8476 5.0539 5.0539 5.9015 5.9015 8.4944 8.4944 10.5299 10.5299 10.9959 10.9959 12.1591 12.1591 k = 0.5000 0.2887 0.0472 ( 6762 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5780 -2.5780 -2.2811 -2.2811 1.9726 1.9726 3.0431 3.0431 4.2387 4.2387 4.8560 4.8560 5.0111 5.0111 5.8875 5.8875 8.4958 8.4958 10.5781 10.5781 11.0427 11.0427 12.2524 12.2525 k = 0.5000 0.2887 0.0354 ( 6758 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5727 -2.5727 -2.2876 -2.2876 1.9706 1.9706 3.0673 3.0673 4.2339 4.2339 4.8628 4.8628 4.9763 4.9763 5.8762 5.8762 8.4968 8.4968 10.6187 10.6187 11.0799 11.0799 12.2805 12.2805 k = 0.5000 0.2887 0.0236 ( 6780 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5687 -2.5687 -2.2924 -2.2924 1.9691 1.9691 3.0852 3.0852 4.2306 4.2306 4.8679 4.8679 4.9507 4.9507 5.8679 5.8679 8.4974 8.4974 10.6498 10.6498 11.1064 11.1064 12.3078 12.3078 k = 0.5000 0.2887 0.0118 ( 6776 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5663 -2.5663 -2.2955 -2.2955 1.9683 1.9683 3.0963 3.0963 4.2286 4.2286 4.8710 4.8710 4.9349 4.9349 5.8629 5.8629 8.4978 8.4978 10.6695 10.6695 11.1221 11.1221 12.3299 12.3299 k = 0.5000 0.2887-0.0000 ( 6776 PWs) bands (ev): -93.2009 -93.2009 -93.2007 -93.2007 -32.8010 -32.8010 -14.1902 -14.1902 -13.8430 -13.8430 -13.7501 -13.7501 -2.5654 -2.5654 -2.2965 -2.2965 1.9680 1.9680 3.1000 3.1000 4.2279 4.2279 4.8721 4.8721 4.9296 4.9296 5.8612 5.8612 8.4979 8.4979 10.6762 10.6762 11.1273 11.1273 12.3388 12.3388 k = 0.3333 0.5774-0.0000 ( 6738 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2427 -2.2427 -2.2397 -2.2397 2.7290 2.7290 2.8598 2.8598 2.8741 2.8741 4.7449 4.7449 4.8015 4.8015 4.8100 4.8100 10.4258 10.4258 11.3387 11.3387 11.3426 11.3426 11.6481 11.6481 k = 0.3333 0.5774 0.0118 ( 6741 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2427 -2.2427 -2.2397 -2.2397 2.7301 2.7301 2.8593 2.8593 2.8735 2.8735 4.7424 4.7424 4.8032 4.8032 4.8116 4.8116 10.4305 10.4305 11.3095 11.3095 11.3121 11.3121 11.6780 11.6780 k = 0.3333 0.5774 0.0236 ( 6744 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2428 -2.2428 -2.2398 -2.2398 2.7334 2.7334 2.8576 2.8576 2.8716 2.8716 4.7349 4.7349 4.8083 4.8083 4.8166 4.8166 10.4445 10.4445 11.2409 11.2409 11.2417 11.2417 11.7467 11.7467 k = 0.3333 0.5774 0.0354 ( 6750 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2429 -2.2429 -2.2399 -2.2399 2.7389 2.7389 2.8548 2.8548 2.8686 2.8686 4.7227 4.7227 4.8166 4.8166 4.8247 4.8247 10.4678 10.4678 11.1554 11.1554 11.1557 11.1557 11.8302 11.8302 k = 0.3333 0.5774 0.0472 ( 6753 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2430 -2.2430 -2.2400 -2.2400 2.7465 2.7465 2.8509 2.8509 2.8646 2.8646 4.7057 4.7057 4.8281 4.8281 4.8358 4.8358 10.5001 10.5001 11.0629 11.0629 11.0639 11.0639 11.9188 11.9188 k = 0.3333 0.5774 0.0590 ( 6759 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2432 -2.2432 -2.2402 -2.2402 2.7563 2.7563 2.8462 2.8462 2.8595 2.8595 4.6844 4.6844 4.8426 4.8426 4.8499 4.8499 10.5412 10.5412 10.9681 10.9681 10.9693 10.9693 12.0090 12.0090 k = 0.3333 0.5774 0.0708 ( 6759 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2434 -2.2434 -2.2404 -2.2404 2.7681 2.7681 2.8406 2.8406 2.8535 2.8535 4.6590 4.6590 4.8598 4.8598 4.8665 4.8665 10.5906 10.5906 10.8727 10.8727 10.8739 10.8739 12.0990 12.0990 k = 0.3333 0.5774 0.0826 ( 6777 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2436 -2.2436 -2.2406 -2.2406 2.7818 2.7818 2.8343 2.8343 2.8468 2.8468 4.6298 4.6298 4.8795 4.8795 4.8856 4.8856 10.6479 10.6479 10.7779 10.7779 10.7789 10.7789 12.1208 12.1208 k = 0.3333 0.5774 0.0944 ( 6783 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7852 -13.7852 -2.2438 -2.2438 -2.2409 -2.2409 2.7974 2.7974 2.8274 2.8274 2.8395 2.8395 4.5974 4.5974 4.9013 4.9013 4.9067 4.9067 10.6843 10.6843 10.6850 10.6850 10.7128 10.7128 12.1276 12.1277 k = 0.3333 0.5774 0.1062 ( 6771 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8388 -13.8388 -13.7853 -13.7853 -2.2441 -2.2441 -2.2412 -2.2412 2.8147 2.8147 2.8202 2.8202 2.8318 2.8318 4.5622 4.5622 4.9249 4.9249 4.9296 4.9296 10.5927 10.5927 10.5932 10.5932 10.7843 10.7843 12.1349 12.1349 k = 0.3333 0.5774 0.1180 ( 6765 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2443 -2.2443 -2.2415 -2.2415 2.8126 2.8126 2.8232 2.8232 2.8341 2.8341 4.5246 4.5246 4.9499 4.9499 4.9538 4.9538 10.5036 10.5036 10.5037 10.5037 10.8622 10.8622 12.1426 12.1426 k = 0.3333 0.5774 0.1297 ( 6771 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2446 -2.2446 -2.2418 -2.2418 2.8048 2.8048 2.8152 2.8152 2.8543 2.8543 4.4852 4.4852 4.9759 4.9759 4.9791 4.9791 10.4173 10.4173 10.4175 10.4175 10.9457 10.9457 12.1506 12.1506 k = 0.3333 0.5774 0.1415 ( 6771 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2449 -2.2449 -2.2421 -2.2421 2.7971 2.7971 2.8070 2.8070 2.8759 2.8759 4.4444 4.4444 5.0025 5.0025 5.0049 5.0049 10.3344 10.3344 10.3350 10.3350 11.0340 11.0340 12.1586 12.1586 k = 0.3333 0.5774 0.1533 ( 6783 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2452 -2.2452 -2.2424 -2.2424 2.7895 2.7895 2.7989 2.7989 2.8985 2.8985 4.4030 4.4030 5.0292 5.0292 5.0308 5.0308 10.2556 10.2556 10.2567 10.2567 11.1264 11.1264 12.1666 12.1666 k = 0.3333 0.5774 0.1651 ( 6795 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2454 -2.2454 -2.2427 -2.2427 2.7821 2.7821 2.7910 2.7910 2.9218 2.9218 4.3615 4.3615 5.0556 5.0556 5.0565 5.0565 10.1814 10.1814 10.1829 10.1829 11.2219 11.2219 12.1744 12.1744 k = 0.3333 0.5774 0.1769 ( 6792 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2457 -2.2457 -2.2430 -2.2430 2.7751 2.7751 2.7836 2.7836 2.9455 2.9455 4.3204 4.3204 5.0813 5.0813 5.0814 5.0814 10.1123 10.1123 10.1143 10.1143 11.3193 11.3193 12.1816 12.1816 k = 0.3333 0.5774 0.1887 ( 6798 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2459 -2.2459 -2.2433 -2.2433 2.7685 2.7685 2.7766 2.7766 2.9691 2.9691 4.2806 4.2806 5.1052 5.1052 5.1058 5.1058 10.0489 10.0489 10.0513 10.0513 11.4176 11.4176 12.1880 12.1880 k = 0.3333 0.5774 0.2005 ( 6795 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2462 -2.2462 -2.2436 -2.2436 2.7625 2.7625 2.7702 2.7702 2.9921 2.9921 4.2426 4.2426 5.1274 5.1274 5.1286 5.1286 9.9916 9.9916 9.9944 9.9944 11.5152 11.5152 12.1934 12.1934 k = 0.3333 0.5774 0.2123 ( 6789 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7853 -13.7853 -2.2464 -2.2464 -2.2438 -2.2438 2.7572 2.7572 2.7645 2.7645 3.0141 3.0141 4.2073 4.2073 5.1476 5.1476 5.1494 5.1494 9.9408 9.9408 9.9440 9.9440 11.6102 11.6102 12.1973 12.1973 k = 0.3333 0.5774 0.2241 ( 6795 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7854 -13.7854 -2.2466 -2.2466 -2.2440 -2.2440 2.7525 2.7525 2.7596 2.7596 3.0343 3.0343 4.1755 4.1755 5.1655 5.1655 5.1678 5.1678 9.8971 9.8971 9.9006 9.9006 11.7007 11.7007 12.1994 12.1994 k = 0.3333 0.5774 0.2359 ( 6795 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7854 -13.7854 -2.2467 -2.2467 -2.2442 -2.2442 2.7486 2.7486 2.7554 2.7554 3.0523 3.0523 4.1479 4.1479 5.1806 5.1806 5.1833 5.1833 9.8607 9.8607 9.8645 9.8645 11.7839 11.7839 12.1993 12.1993 k = 0.3333 0.5774 0.2477 ( 6777 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7854 -13.7854 -2.2469 -2.2469 -2.2443 -2.2443 2.7455 2.7455 2.7522 2.7522 3.0671 3.0671 4.1253 4.1253 5.1927 5.1927 5.1957 5.1957 9.8321 9.8321 9.8361 9.8361 11.8566 11.8566 12.1969 12.1969 k = 0.3333 0.5774 0.2595 ( 6765 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7854 -13.7854 -2.2469 -2.2469 -2.2444 -2.2444 2.7433 2.7433 2.7498 2.7498 3.0783 3.0783 4.1086 4.1086 5.2015 5.2015 5.2048 5.2048 9.8114 9.8114 9.8156 9.8156 11.9149 11.9149 12.1924 12.1924 k = 0.3333 0.5774 0.2713 ( 6762 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7854 -13.7854 -2.2470 -2.2470 -2.2445 -2.2445 2.7419 2.7419 2.7484 2.7484 3.0853 3.0853 4.0983 4.0983 5.2069 5.2069 5.2103 5.2103 9.7989 9.7989 9.8032 9.8032 11.9537 11.9537 12.1876 12.1876 k = 0.3333 0.5774 0.2831 ( 6750 PWs) bands (ev): -93.2008 -93.2008 -93.2008 -93.2008 -32.7986 -32.7986 -14.1863 -14.1863 -13.8387 -13.8387 -13.7854 -13.7854 -2.2470 -2.2470 -2.2445 -2.2445 2.7415 2.7415 2.7479 2.7479 3.0876 3.0876 4.0948 4.0948 5.2087 5.2087 5.2122 5.2122 9.7948 9.7948 9.7991 9.7991 11.9675 11.9675 12.1854 12.1854 Writing output data file CaxBePx2.save init_run : 0.57s CPU 0.84s WALL ( 1 calls) electrons : 213.40s CPU 216.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 213.40s CPU 216.21s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.15s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 347 calls) cegterg : 199.46s CPU 201.80s WALL ( 844 calls) Called by sum_band: Called by *egterg: h_psi : 117.23s CPU 118.84s WALL ( 14550 calls) s_psi : 6.22s CPU 6.56s WALL ( 14550 calls) g_psi : 0.44s CPU 0.44s WALL ( 13359 calls) cdiaghg : 59.52s CPU 60.20s WALL ( 13706 calls) cegterg:over : 8.56s CPU 8.37s WALL ( 13359 calls) cegterg:upda : 9.81s CPU 9.98s WALL ( 13359 calls) cegterg:last : 3.66s CPU 3.68s WALL ( 1969 calls) cdiaghg:chol : 3.51s CPU 3.54s WALL ( 13706 calls) cdiaghg:inve : 1.64s CPU 1.64s WALL ( 13706 calls) cdiaghg:para : 3.44s CPU 3.49s WALL ( 27412 calls) Called by h_psi: h_psi:vloc : 101.99s CPU 103.22s WALL ( 14550 calls) h_psi:vnl : 14.85s CPU 15.25s WALL ( 14550 calls) add_vuspsi : 7.47s CPU 7.49s WALL ( 14550 calls) General routines calbec : 7.30s CPU 7.72s WALL ( 14550 calls) fft : 0.00s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.63s CPU 89.63s WALL ( 882668 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.22s WALL ( 694 calls) Parallel routines fft_scatter : 28.54s CPU 28.90s WALL ( 882691 calls) PWSCF : 3m50.46s CPU 4m 3.82s WALL This run was terminated on: 14:25:32 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=