Program PWSCF v.5.1.1 starts on 19Jul2015 at 23:11:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiH.save/ file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 10 3 1274 268 47 Max 29 11 5 1287 289 52 Sum 1373 497 161 61439 13367 2319 bravais-lattice index = 14 lattice parameter (alat) = 5.5040 a.u. unit-cell volume = 263.2774 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.503965 celldm(2)= 1.000000 celldm(3)= 1.579016 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.579016 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.633306 ) PseudoPot. # 1 for H read from file: /home/autes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 H 1.00 1.00790 H( 1.00) Ti 12.00 47.86700 Ti( 1.00) 16 Sym. Ops., with inversion, found ( 8 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7895082 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7895082 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7895082 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7895082 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7895082 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7895082 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7895082 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7895082 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2'-2C2' 3 -3 4 -4 2C2''-2C2' 5 -5 6 -6 2C4 7 8 i 9 s_h -s_h 10 -10 2s_v-2s_v 11 -11 12 -12 2s_d-2s_d 13 -13 14 -14 2S4 15 16 -E -1 -2C4 -7 -8 -i -9 -2S4 -15 -16 Cartesian axes number of k points= 484 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0000000 0.0092593 -0.0000000), wk = 0.0020661 k( 3) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0020661 k( 5) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0000000 0.0462963 -0.0000000), wk = 0.0020661 k( 7) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0020661 k( 8) = ( 0.0000000 0.0648148 -0.0000000), wk = 0.0020661 k( 9) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0020661 k( 10) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0020661 k( 11) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0020661 k( 12) = ( 0.0000000 0.1018518 -0.0000000), wk = 0.0020661 k( 13) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0020661 k( 14) = ( 0.0000000 0.1203704 -0.0000000), wk = 0.0020661 k( 15) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0020661 k( 16) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0020661 k( 17) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0020661 k( 18) = ( 0.0000000 0.1574074 -0.0000000), wk = 0.0020661 k( 19) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0020661 k( 20) = ( 0.0000000 0.1759259 -0.0000000), wk = 0.0020661 k( 21) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0020661 k( 22) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0020661 k( 23) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0020661 k( 24) = ( 0.0000000 0.2129630 -0.0000000), wk = 0.0020661 k( 25) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0020661 k( 26) = ( 0.0000000 0.2314815 -0.0000000), wk = 0.0020661 k( 27) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0020661 k( 28) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0020661 k( 29) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0020661 k( 30) = ( 0.0000000 0.2685185 -0.0000000), wk = 0.0020661 k( 31) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0020661 k( 32) = ( 0.0000000 0.2870370 -0.0000000), wk = 0.0020661 k( 33) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0020661 k( 34) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0020661 k( 35) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0020661 k( 36) = ( 0.0000000 0.3240741 -0.0000000), wk = 0.0020661 k( 37) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0020661 k( 38) = ( 0.0000000 0.3425926 -0.0000000), wk = 0.0020661 k( 39) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0020661 k( 40) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0020661 k( 41) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0020661 k( 42) = ( 0.0000000 0.3796296 -0.0000000), wk = 0.0020661 k( 43) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0020661 k( 44) = ( 0.0000000 0.3981481 -0.0000000), wk = 0.0020661 k( 45) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0020661 k( 46) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0020661 k( 47) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0020661 k( 48) = ( 0.0000000 0.4351852 -0.0000000), wk = 0.0020661 k( 49) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0020661 k( 50) = ( 0.0000000 0.4537037 -0.0000000), wk = 0.0020661 k( 51) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0020661 k( 52) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0020661 k( 53) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0020661 k( 54) = ( 0.0000000 0.4907407 -0.0000000), wk = 0.0020661 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020661 k( 56) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020661 k( 57) = ( 0.0092593 0.5000000 -0.0000000), wk = 0.0020661 k( 58) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0020661 k( 59) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0020661 k( 60) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0020661 k( 61) = ( 0.0462963 0.5000000 -0.0000000), wk = 0.0020661 k( 62) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0020661 k( 63) = ( 0.0648148 0.5000000 -0.0000000), wk = 0.0020661 k( 64) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0020661 k( 65) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0020661 k( 66) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0020661 k( 67) = ( 0.1018518 0.5000000 -0.0000000), wk = 0.0020661 k( 68) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0020661 k( 69) = ( 0.1203704 0.5000000 -0.0000000), wk = 0.0020661 k( 70) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0020661 k( 71) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0020661 k( 72) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0020661 k( 73) = ( 0.1574074 0.5000000 -0.0000000), wk = 0.0020661 k( 74) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0020661 k( 75) = ( 0.1759259 0.5000000 -0.0000000), wk = 0.0020661 k( 76) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0020661 k( 77) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0020661 k( 78) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0020661 k( 79) = ( 0.2129630 0.5000000 -0.0000000), wk = 0.0020661 k( 80) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0020661 k( 81) = ( 0.2314815 0.5000000 -0.0000000), wk = 0.0020661 k( 82) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0020661 k( 83) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0020661 k( 84) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0020661 k( 85) = ( 0.2685185 0.5000000 -0.0000000), wk = 0.0020661 k( 86) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0020661 k( 87) = ( 0.2870370 0.5000000 -0.0000000), wk = 0.0020661 k( 88) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0020661 k( 89) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0020661 k( 90) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0020661 k( 91) = ( 0.3240741 0.5000000 -0.0000000), wk = 0.0020661 k( 92) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0020661 k( 93) = ( 0.3425926 0.5000000 -0.0000000), wk = 0.0020661 k( 94) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0020661 k( 95) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0020661 k( 96) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0020661 k( 97) = ( 0.3796296 0.5000000 -0.0000000), wk = 0.0020661 k( 98) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0020661 k( 99) = ( 0.3981481 0.5000000 -0.0000000), wk = 0.0020661 k( 100) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0020661 k( 101) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0020661 k( 102) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0020661 k( 103) = ( 0.4351852 0.5000000 -0.0000000), wk = 0.0020661 k( 104) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0020661 k( 105) = ( 0.4537037 0.5000000 -0.0000000), wk = 0.0020661 k( 106) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0020661 k( 107) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0020661 k( 108) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0020661 k( 109) = ( 0.4907407 0.5000000 -0.0000000), wk = 0.0020661 k( 110) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020661 k( 111) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020661 k( 112) = ( 0.4935065 0.4935065 -0.0000000), wk = 0.0020661 k( 113) = ( 0.4870130 0.4870130 -0.0000000), wk = 0.0020661 k( 114) = ( 0.4805195 0.4805195 -0.0000000), wk = 0.0020661 k( 115) = ( 0.4740260 0.4740260 -0.0000000), wk = 0.0020661 k( 116) = ( 0.4675325 0.4675325 -0.0000000), wk = 0.0020661 k( 117) = ( 0.4610390 0.4610390 -0.0000000), wk = 0.0020661 k( 118) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0020661 k( 119) = ( 0.4480519 0.4480519 -0.0000000), wk = 0.0020661 k( 120) = ( 0.4415584 0.4415584 -0.0000000), wk = 0.0020661 k( 121) = ( 0.4350649 0.4350649 -0.0000000), wk = 0.0020661 k( 122) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0020661 k( 123) = ( 0.4220779 0.4220779 -0.0000000), wk = 0.0020661 k( 124) = ( 0.4155844 0.4155844 -0.0000000), wk = 0.0020661 k( 125) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0020661 k( 126) = ( 0.4025974 0.4025974 -0.0000000), wk = 0.0020661 k( 127) = ( 0.3961039 0.3961039 -0.0000000), wk = 0.0020661 k( 128) = ( 0.3896104 0.3896104 -0.0000000), wk = 0.0020661 k( 129) = ( 0.3831169 0.3831169 -0.0000000), wk = 0.0020661 k( 130) = ( 0.3766234 0.3766234 -0.0000000), wk = 0.0020661 k( 131) = ( 0.3701299 0.3701299 -0.0000000), wk = 0.0020661 k( 132) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0020661 k( 133) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0020661 k( 134) = ( 0.3506494 0.3506493 -0.0000000), wk = 0.0020661 k( 135) = ( 0.3441558 0.3441558 -0.0000000), wk = 0.0020661 k( 136) = ( 0.3376623 0.3376623 -0.0000000), wk = 0.0020661 k( 137) = ( 0.3311688 0.3311688 -0.0000000), wk = 0.0020661 k( 138) = ( 0.3246753 0.3246753 -0.0000000), wk = 0.0020661 k( 139) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0020661 k( 140) = ( 0.3116883 0.3116883 -0.0000000), wk = 0.0020661 k( 141) = ( 0.3051948 0.3051948 -0.0000000), wk = 0.0020661 k( 142) = ( 0.2987013 0.2987013 -0.0000000), wk = 0.0020661 k( 143) = ( 0.2922078 0.2922078 -0.0000000), wk = 0.0020661 k( 144) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0020661 k( 145) = ( 0.2792208 0.2792208 -0.0000000), wk = 0.0020661 k( 146) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0020661 k( 147) = ( 0.2662338 0.2662338 -0.0000000), wk = 0.0020661 k( 148) = ( 0.2597403 0.2597403 -0.0000000), wk = 0.0020661 k( 149) = ( 0.2532468 0.2532468 -0.0000000), wk = 0.0020661 k( 150) = ( 0.2467533 0.2467532 -0.0000000), wk = 0.0020661 k( 151) = ( 0.2402597 0.2402597 -0.0000000), wk = 0.0020661 k( 152) = ( 0.2337662 0.2337662 -0.0000000), wk = 0.0020661 k( 153) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0020661 k( 154) = ( 0.2207792 0.2207792 -0.0000000), wk = 0.0020661 k( 155) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0020661 k( 156) = ( 0.2077922 0.2077922 -0.0000000), wk = 0.0020661 k( 157) = ( 0.2012987 0.2012987 -0.0000000), wk = 0.0020661 k( 158) = ( 0.1948052 0.1948052 -0.0000000), wk = 0.0020661 k( 159) = ( 0.1883117 0.1883117 -0.0000000), wk = 0.0020661 k( 160) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0020661 k( 161) = ( 0.1753247 0.1753247 -0.0000000), wk = 0.0020661 k( 162) = ( 0.1688312 0.1688312 -0.0000000), wk = 0.0020661 k( 163) = ( 0.1623377 0.1623377 -0.0000000), wk = 0.0020661 k( 164) = ( 0.1558442 0.1558442 -0.0000000), wk = 0.0020661 k( 165) = ( 0.1493507 0.1493506 -0.0000000), wk = 0.0020661 k( 166) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0020661 k( 167) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0020661 k( 168) = ( 0.1298701 0.1298701 -0.0000000), wk = 0.0020661 k( 169) = ( 0.1233766 0.1233766 -0.0000000), wk = 0.0020661 k( 170) = ( 0.1168831 0.1168831 -0.0000000), wk = 0.0020661 k( 171) = ( 0.1103896 0.1103896 -0.0000000), wk = 0.0020661 k( 172) = ( 0.1038961 0.1038961 -0.0000000), wk = 0.0020661 k( 173) = ( 0.0974026 0.0974026 -0.0000000), wk = 0.0020661 k( 174) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0020661 k( 175) = ( 0.0844156 0.0844156 -0.0000000), wk = 0.0020661 k( 176) = ( 0.0779221 0.0779221 -0.0000000), wk = 0.0020661 k( 177) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0020661 k( 178) = ( 0.0649351 0.0649351 -0.0000000), wk = 0.0020661 k( 179) = ( 0.0584416 0.0584416 -0.0000000), wk = 0.0020661 k( 180) = ( 0.0519481 0.0519480 -0.0000000), wk = 0.0020661 k( 181) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0020661 k( 182) = ( 0.0389610 0.0389610 -0.0000000), wk = 0.0020661 k( 183) = ( 0.0324675 0.0324675 -0.0000000), wk = 0.0020661 k( 184) = ( 0.0259740 0.0259740 -0.0000000), wk = 0.0020661 k( 185) = ( 0.0194805 0.0194805 -0.0000000), wk = 0.0020661 k( 186) = ( 0.0129870 0.0129870 -0.0000000), wk = 0.0020661 k( 187) = ( 0.0064935 0.0064935 -0.0000000), wk = 0.0020661 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.0090472), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.0180944), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.0271417), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.0361889), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.0452361), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.0542833), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.0633306), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.0723778), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.0814250), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.0904722), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.0995195), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.1085667), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.1176139), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.1266611), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.1357084), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.1447556), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.1538028), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.1628500), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.1718973), wk = 0.0020661 k( 209) = ( 0.0000000 0.0000000 0.1809445), wk = 0.0020661 k( 210) = ( 0.0000000 0.0000000 0.1899917), wk = 0.0020661 k( 211) = ( 0.0000000 0.0000000 0.1990389), wk = 0.0020661 k( 212) = ( 0.0000000 0.0000000 0.2080862), wk = 0.0020661 k( 213) = ( 0.0000000 0.0000000 0.2171334), wk = 0.0020661 k( 214) = ( 0.0000000 0.0000000 0.2261806), wk = 0.0020661 k( 215) = ( 0.0000000 0.0000000 0.2352278), wk = 0.0020661 k( 216) = ( 0.0000000 0.0000000 0.2442751), wk = 0.0020661 k( 217) = ( 0.0000000 0.0000000 0.2533223), wk = 0.0020661 k( 218) = ( 0.0000000 0.0000000 0.2623695), wk = 0.0020661 k( 219) = ( 0.0000000 0.0000000 0.2714167), wk = 0.0020661 k( 220) = ( 0.0000000 0.0000000 0.2804639), wk = 0.0020661 k( 221) = ( 0.0000000 0.0000000 0.2895112), wk = 0.0020661 k( 222) = ( 0.0000000 0.0000000 0.2985584), wk = 0.0020661 k( 223) = ( 0.0000000 0.0000000 0.3076056), wk = 0.0020661 k( 224) = ( 0.0000000 0.0000000 0.3166528), wk = 0.0020661 k( 225) = ( 0.0000000 0.0000000 0.3166528), wk = 0.0020661 k( 226) = ( 0.0000000 0.0092593 0.3166528), wk = 0.0020661 k( 227) = ( 0.0000000 0.0185185 0.3166528), wk = 0.0020661 k( 228) = ( 0.0000000 0.0277778 0.3166528), wk = 0.0020661 k( 229) = ( 0.0000000 0.0370370 0.3166528), wk = 0.0020661 k( 230) = ( 0.0000000 0.0462963 0.3166528), wk = 0.0020661 k( 231) = ( 0.0000000 0.0555556 0.3166528), wk = 0.0020661 k( 232) = ( 0.0000000 0.0648148 0.3166528), wk = 0.0020661 k( 233) = ( 0.0000000 0.0740741 0.3166528), wk = 0.0020661 k( 234) = ( 0.0000000 0.0833333 0.3166528), wk = 0.0020661 k( 235) = ( 0.0000000 0.0925926 0.3166528), wk = 0.0020661 k( 236) = ( 0.0000000 0.1018518 0.3166528), wk = 0.0020661 k( 237) = ( 0.0000000 0.1111111 0.3166528), wk = 0.0020661 k( 238) = ( 0.0000000 0.1203704 0.3166528), wk = 0.0020661 k( 239) = ( 0.0000000 0.1296296 0.3166528), wk = 0.0020661 k( 240) = ( 0.0000000 0.1388889 0.3166528), wk = 0.0020661 k( 241) = ( 0.0000000 0.1481482 0.3166528), wk = 0.0020661 k( 242) = ( 0.0000000 0.1574074 0.3166528), wk = 0.0020661 k( 243) = ( 0.0000000 0.1666667 0.3166528), wk = 0.0020661 k( 244) = ( 0.0000000 0.1759259 0.3166528), wk = 0.0020661 k( 245) = ( 0.0000000 0.1851852 0.3166528), wk = 0.0020661 k( 246) = ( 0.0000000 0.1944444 0.3166528), wk = 0.0020661 k( 247) = ( 0.0000000 0.2037037 0.3166528), wk = 0.0020661 k( 248) = ( 0.0000000 0.2129630 0.3166528), wk = 0.0020661 k( 249) = ( 0.0000000 0.2222222 0.3166528), wk = 0.0020661 k( 250) = ( 0.0000000 0.2314815 0.3166528), wk = 0.0020661 k( 251) = ( 0.0000000 0.2407407 0.3166528), wk = 0.0020661 k( 252) = ( 0.0000000 0.2500000 0.3166528), wk = 0.0020661 k( 253) = ( 0.0000000 0.2592593 0.3166528), wk = 0.0020661 k( 254) = ( 0.0000000 0.2685185 0.3166528), wk = 0.0020661 k( 255) = ( 0.0000000 0.2777778 0.3166528), wk = 0.0020661 k( 256) = ( 0.0000000 0.2870370 0.3166528), wk = 0.0020661 k( 257) = ( 0.0000000 0.2962963 0.3166528), wk = 0.0020661 k( 258) = ( 0.0000000 0.3055556 0.3166528), wk = 0.0020661 k( 259) = ( 0.0000000 0.3148148 0.3166528), wk = 0.0020661 k( 260) = ( 0.0000000 0.3240741 0.3166528), wk = 0.0020661 k( 261) = ( 0.0000000 0.3333333 0.3166528), wk = 0.0020661 k( 262) = ( 0.0000000 0.3425926 0.3166528), wk = 0.0020661 k( 263) = ( 0.0000000 0.3518519 0.3166528), wk = 0.0020661 k( 264) = ( 0.0000000 0.3611111 0.3166528), wk = 0.0020661 k( 265) = ( 0.0000000 0.3703704 0.3166528), wk = 0.0020661 k( 266) = ( 0.0000000 0.3796296 0.3166528), wk = 0.0020661 k( 267) = ( 0.0000000 0.3888889 0.3166528), wk = 0.0020661 k( 268) = ( 0.0000000 0.3981481 0.3166528), wk = 0.0020661 k( 269) = ( 0.0000000 0.4074074 0.3166528), wk = 0.0020661 k( 270) = ( 0.0000000 0.4166667 0.3166528), wk = 0.0020661 k( 271) = ( 0.0000000 0.4259259 0.3166528), wk = 0.0020661 k( 272) = ( 0.0000000 0.4351852 0.3166528), wk = 0.0020661 k( 273) = ( 0.0000000 0.4444444 0.3166528), wk = 0.0020661 k( 274) = ( 0.0000000 0.4537037 0.3166528), wk = 0.0020661 k( 275) = ( 0.0000000 0.4629630 0.3166528), wk = 0.0020661 k( 276) = ( 0.0000000 0.4722222 0.3166528), wk = 0.0020661 k( 277) = ( 0.0000000 0.4814815 0.3166528), wk = 0.0020661 k( 278) = ( 0.0000000 0.4907407 0.3166528), wk = 0.0020661 k( 279) = ( 0.0000000 0.5000000 0.3166528), wk = 0.0020661 k( 280) = ( 0.0000000 0.5000000 0.3166528), wk = 0.0020661 k( 281) = ( 0.0092593 0.5000000 0.3166528), wk = 0.0020661 k( 282) = ( 0.0185185 0.5000000 0.3166528), wk = 0.0020661 k( 283) = ( 0.0277778 0.5000000 0.3166528), wk = 0.0020661 k( 284) = ( 0.0370370 0.5000000 0.3166528), wk = 0.0020661 k( 285) = ( 0.0462963 0.5000000 0.3166528), wk = 0.0020661 k( 286) = ( 0.0555556 0.5000000 0.3166528), wk = 0.0020661 k( 287) = ( 0.0648148 0.5000000 0.3166528), wk = 0.0020661 k( 288) = ( 0.0740741 0.5000000 0.3166528), wk = 0.0020661 k( 289) = ( 0.0833333 0.5000000 0.3166528), wk = 0.0020661 k( 290) = ( 0.0925926 0.5000000 0.3166528), wk = 0.0020661 k( 291) = ( 0.1018518 0.5000000 0.3166528), wk = 0.0020661 k( 292) = ( 0.1111111 0.5000000 0.3166528), wk = 0.0020661 k( 293) = ( 0.1203704 0.5000000 0.3166528), wk = 0.0020661 k( 294) = ( 0.1296296 0.5000000 0.3166528), wk = 0.0020661 k( 295) = ( 0.1388889 0.5000000 0.3166528), wk = 0.0020661 k( 296) = ( 0.1481482 0.5000000 0.3166528), wk = 0.0020661 k( 297) = ( 0.1574074 0.5000000 0.3166528), wk = 0.0020661 k( 298) = ( 0.1666667 0.5000000 0.3166528), wk = 0.0020661 k( 299) = ( 0.1759259 0.5000000 0.3166528), wk = 0.0020661 k( 300) = ( 0.1851852 0.5000000 0.3166528), wk = 0.0020661 k( 301) = ( 0.1944444 0.5000000 0.3166528), wk = 0.0020661 k( 302) = ( 0.2037037 0.5000000 0.3166528), wk = 0.0020661 k( 303) = ( 0.2129630 0.5000000 0.3166528), wk = 0.0020661 k( 304) = ( 0.2222222 0.5000000 0.3166528), wk = 0.0020661 k( 305) = ( 0.2314815 0.5000000 0.3166528), wk = 0.0020661 k( 306) = ( 0.2407407 0.5000000 0.3166528), wk = 0.0020661 k( 307) = ( 0.2500000 0.5000000 0.3166528), wk = 0.0020661 k( 308) = ( 0.2592593 0.5000000 0.3166528), wk = 0.0020661 k( 309) = ( 0.2685185 0.5000000 0.3166528), wk = 0.0020661 k( 310) = ( 0.2777778 0.5000000 0.3166528), wk = 0.0020661 k( 311) = ( 0.2870370 0.5000000 0.3166528), wk = 0.0020661 k( 312) = ( 0.2962963 0.5000000 0.3166528), wk = 0.0020661 k( 313) = ( 0.3055556 0.5000000 0.3166528), wk = 0.0020661 k( 314) = ( 0.3148148 0.5000000 0.3166528), wk = 0.0020661 k( 315) = ( 0.3240741 0.5000000 0.3166528), wk = 0.0020661 k( 316) = ( 0.3333333 0.5000000 0.3166528), wk = 0.0020661 k( 317) = ( 0.3425926 0.5000000 0.3166528), wk = 0.0020661 k( 318) = ( 0.3518519 0.5000000 0.3166528), wk = 0.0020661 k( 319) = ( 0.3611111 0.5000000 0.3166528), wk = 0.0020661 k( 320) = ( 0.3703704 0.5000000 0.3166528), wk = 0.0020661 k( 321) = ( 0.3796296 0.5000000 0.3166528), wk = 0.0020661 k( 322) = ( 0.3888889 0.5000000 0.3166528), wk = 0.0020661 k( 323) = ( 0.3981481 0.5000000 0.3166528), wk = 0.0020661 k( 324) = ( 0.4074074 0.5000000 0.3166528), wk = 0.0020661 k( 325) = ( 0.4166667 0.5000000 0.3166528), wk = 0.0020661 k( 326) = ( 0.4259259 0.5000000 0.3166528), wk = 0.0020661 k( 327) = ( 0.4351852 0.5000000 0.3166528), wk = 0.0020661 k( 328) = ( 0.4444444 0.5000000 0.3166528), wk = 0.0020661 k( 329) = ( 0.4537037 0.5000000 0.3166528), wk = 0.0020661 k( 330) = ( 0.4629630 0.5000000 0.3166528), wk = 0.0020661 k( 331) = ( 0.4722222 0.5000000 0.3166528), wk = 0.0020661 k( 332) = ( 0.4814815 0.5000000 0.3166528), wk = 0.0020661 k( 333) = ( 0.4907407 0.5000000 0.3166528), wk = 0.0020661 k( 334) = ( 0.5000000 0.5000000 0.3166528), wk = 0.0020661 k( 335) = ( 0.5000000 0.5000000 0.3166528), wk = 0.0020661 k( 336) = ( 0.4935065 0.4935065 0.3166528), wk = 0.0020661 k( 337) = ( 0.4870130 0.4870130 0.3166528), wk = 0.0020661 k( 338) = ( 0.4805195 0.4805195 0.3166528), wk = 0.0020661 k( 339) = ( 0.4740260 0.4740260 0.3166528), wk = 0.0020661 k( 340) = ( 0.4675325 0.4675325 0.3166528), wk = 0.0020661 k( 341) = ( 0.4610390 0.4610390 0.3166528), wk = 0.0020661 k( 342) = ( 0.4545455 0.4545454 0.3166528), wk = 0.0020661 k( 343) = ( 0.4480519 0.4480519 0.3166528), wk = 0.0020661 k( 344) = ( 0.4415584 0.4415584 0.3166528), wk = 0.0020661 k( 345) = ( 0.4350649 0.4350649 0.3166528), wk = 0.0020661 k( 346) = ( 0.4285714 0.4285714 0.3166528), wk = 0.0020661 k( 347) = ( 0.4220779 0.4220779 0.3166528), wk = 0.0020661 k( 348) = ( 0.4155844 0.4155844 0.3166528), wk = 0.0020661 k( 349) = ( 0.4090909 0.4090909 0.3166528), wk = 0.0020661 k( 350) = ( 0.4025974 0.4025974 0.3166528), wk = 0.0020661 k( 351) = ( 0.3961039 0.3961039 0.3166528), wk = 0.0020661 k( 352) = ( 0.3896104 0.3896104 0.3166528), wk = 0.0020661 k( 353) = ( 0.3831169 0.3831169 0.3166528), wk = 0.0020661 k( 354) = ( 0.3766234 0.3766234 0.3166528), wk = 0.0020661 k( 355) = ( 0.3701299 0.3701299 0.3166528), wk = 0.0020661 k( 356) = ( 0.3636364 0.3636364 0.3166528), wk = 0.0020661 k( 357) = ( 0.3571429 0.3571429 0.3166528), wk = 0.0020661 k( 358) = ( 0.3506494 0.3506493 0.3166528), wk = 0.0020661 k( 359) = ( 0.3441558 0.3441558 0.3166528), wk = 0.0020661 k( 360) = ( 0.3376623 0.3376623 0.3166528), wk = 0.0020661 k( 361) = ( 0.3311688 0.3311688 0.3166528), wk = 0.0020661 k( 362) = ( 0.3246753 0.3246753 0.3166528), wk = 0.0020661 k( 363) = ( 0.3181818 0.3181818 0.3166528), wk = 0.0020661 k( 364) = ( 0.3116883 0.3116883 0.3166528), wk = 0.0020661 k( 365) = ( 0.3051948 0.3051948 0.3166528), wk = 0.0020661 k( 366) = ( 0.2987013 0.2987013 0.3166528), wk = 0.0020661 k( 367) = ( 0.2922078 0.2922078 0.3166528), wk = 0.0020661 k( 368) = ( 0.2857143 0.2857143 0.3166528), wk = 0.0020661 k( 369) = ( 0.2792208 0.2792208 0.3166528), wk = 0.0020661 k( 370) = ( 0.2727273 0.2727273 0.3166528), wk = 0.0020661 k( 371) = ( 0.2662338 0.2662338 0.3166528), wk = 0.0020661 k( 372) = ( 0.2597403 0.2597403 0.3166528), wk = 0.0020661 k( 373) = ( 0.2532468 0.2532468 0.3166528), wk = 0.0020661 k( 374) = ( 0.2467533 0.2467532 0.3166528), wk = 0.0020661 k( 375) = ( 0.2402597 0.2402597 0.3166528), wk = 0.0020661 k( 376) = ( 0.2337662 0.2337662 0.3166528), wk = 0.0020661 k( 377) = ( 0.2272727 0.2272727 0.3166528), wk = 0.0020661 k( 378) = ( 0.2207792 0.2207792 0.3166528), wk = 0.0020661 k( 379) = ( 0.2142857 0.2142857 0.3166528), wk = 0.0020661 k( 380) = ( 0.2077922 0.2077922 0.3166528), wk = 0.0020661 k( 381) = ( 0.2012987 0.2012987 0.3166528), wk = 0.0020661 k( 382) = ( 0.1948052 0.1948052 0.3166528), wk = 0.0020661 k( 383) = ( 0.1883117 0.1883117 0.3166528), wk = 0.0020661 k( 384) = ( 0.1818182 0.1818182 0.3166528), wk = 0.0020661 k( 385) = ( 0.1753247 0.1753247 0.3166528), wk = 0.0020661 k( 386) = ( 0.1688312 0.1688312 0.3166528), wk = 0.0020661 k( 387) = ( 0.1623377 0.1623377 0.3166528), wk = 0.0020661 k( 388) = ( 0.1558442 0.1558442 0.3166528), wk = 0.0020661 k( 389) = ( 0.1493507 0.1493506 0.3166528), wk = 0.0020661 k( 390) = ( 0.1428571 0.1428571 0.3166528), wk = 0.0020661 k( 391) = ( 0.1363636 0.1363636 0.3166528), wk = 0.0020661 k( 392) = ( 0.1298701 0.1298701 0.3166528), wk = 0.0020661 k( 393) = ( 0.1233766 0.1233766 0.3166528), wk = 0.0020661 k( 394) = ( 0.1168831 0.1168831 0.3166528), wk = 0.0020661 k( 395) = ( 0.1103896 0.1103896 0.3166528), wk = 0.0020661 k( 396) = ( 0.1038961 0.1038961 0.3166528), wk = 0.0020661 k( 397) = ( 0.0974026 0.0974026 0.3166528), wk = 0.0020661 k( 398) = ( 0.0909091 0.0909091 0.3166528), wk = 0.0020661 k( 399) = ( 0.0844156 0.0844156 0.3166528), wk = 0.0020661 k( 400) = ( 0.0779221 0.0779221 0.3166528), wk = 0.0020661 k( 401) = ( 0.0714286 0.0714286 0.3166528), wk = 0.0020661 k( 402) = ( 0.0649351 0.0649351 0.3166528), wk = 0.0020661 k( 403) = ( 0.0584416 0.0584416 0.3166528), wk = 0.0020661 k( 404) = ( 0.0519481 0.0519480 0.3166528), wk = 0.0020661 k( 405) = ( 0.0454546 0.0454545 0.3166528), wk = 0.0020661 k( 406) = ( 0.0389610 0.0389610 0.3166528), wk = 0.0020661 k( 407) = ( 0.0324675 0.0324675 0.3166528), wk = 0.0020661 k( 408) = ( 0.0259740 0.0259740 0.3166528), wk = 0.0020661 k( 409) = ( 0.0194805 0.0194805 0.3166528), wk = 0.0020661 k( 410) = ( 0.0129870 0.0129870 0.3166528), wk = 0.0020661 k( 411) = ( 0.0064935 0.0064935 0.3166528), wk = 0.0020661 k( 412) = ( 0.0000000 0.0000000 0.3166528), wk = 0.0020661 k( 413) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020661 k( 414) = ( 0.0000000 0.5000000 0.0090472), wk = 0.0020661 k( 415) = ( 0.0000000 0.5000000 0.0180944), wk = 0.0020661 k( 416) = ( 0.0000000 0.5000000 0.0271417), wk = 0.0020661 k( 417) = ( 0.0000000 0.5000000 0.0361889), wk = 0.0020661 k( 418) = ( 0.0000000 0.5000000 0.0452361), wk = 0.0020661 k( 419) = ( 0.0000000 0.5000000 0.0542833), wk = 0.0020661 k( 420) = ( 0.0000000 0.5000000 0.0633306), wk = 0.0020661 k( 421) = ( 0.0000000 0.5000000 0.0723778), wk = 0.0020661 k( 422) = ( 0.0000000 0.5000000 0.0814250), wk = 0.0020661 k( 423) = ( 0.0000000 0.5000000 0.0904722), wk = 0.0020661 k( 424) = ( 0.0000000 0.5000000 0.0995195), wk = 0.0020661 k( 425) = ( 0.0000000 0.5000000 0.1085667), wk = 0.0020661 k( 426) = ( 0.0000000 0.5000000 0.1176139), wk = 0.0020661 k( 427) = ( 0.0000000 0.5000000 0.1266611), wk = 0.0020661 k( 428) = ( 0.0000000 0.5000000 0.1357084), wk = 0.0020661 k( 429) = ( 0.0000000 0.5000000 0.1447556), wk = 0.0020661 k( 430) = ( 0.0000000 0.5000000 0.1538028), wk = 0.0020661 k( 431) = ( 0.0000000 0.5000000 0.1628500), wk = 0.0020661 k( 432) = ( 0.0000000 0.5000000 0.1718973), wk = 0.0020661 k( 433) = ( 0.0000000 0.5000000 0.1809445), wk = 0.0020661 k( 434) = ( 0.0000000 0.5000000 0.1899917), wk = 0.0020661 k( 435) = ( 0.0000000 0.5000000 0.1990389), wk = 0.0020661 k( 436) = ( 0.0000000 0.5000000 0.2080862), wk = 0.0020661 k( 437) = ( 0.0000000 0.5000000 0.2171334), wk = 0.0020661 k( 438) = ( 0.0000000 0.5000000 0.2261806), wk = 0.0020661 k( 439) = ( 0.0000000 0.5000000 0.2352278), wk = 0.0020661 k( 440) = ( 0.0000000 0.5000000 0.2442751), wk = 0.0020661 k( 441) = ( 0.0000000 0.5000000 0.2533223), wk = 0.0020661 k( 442) = ( 0.0000000 0.5000000 0.2623695), wk = 0.0020661 k( 443) = ( 0.0000000 0.5000000 0.2714167), wk = 0.0020661 k( 444) = ( 0.0000000 0.5000000 0.2804639), wk = 0.0020661 k( 445) = ( 0.0000000 0.5000000 0.2895112), wk = 0.0020661 k( 446) = ( 0.0000000 0.5000000 0.2985584), wk = 0.0020661 k( 447) = ( 0.0000000 0.5000000 0.3076056), wk = 0.0020661 k( 448) = ( 0.0000000 0.5000000 0.3166528), wk = 0.0020661 k( 449) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020661 k( 450) = ( 0.5000000 0.5000000 0.0090472), wk = 0.0020661 k( 451) = ( 0.5000000 0.5000000 0.0180944), wk = 0.0020661 k( 452) = ( 0.5000000 0.5000000 0.0271417), wk = 0.0020661 k( 453) = ( 0.5000000 0.5000000 0.0361889), wk = 0.0020661 k( 454) = ( 0.5000000 0.5000000 0.0452361), wk = 0.0020661 k( 455) = ( 0.5000000 0.5000000 0.0542833), wk = 0.0020661 k( 456) = ( 0.5000000 0.5000000 0.0633306), wk = 0.0020661 k( 457) = ( 0.5000000 0.5000000 0.0723778), wk = 0.0020661 k( 458) = ( 0.5000000 0.5000000 0.0814250), wk = 0.0020661 k( 459) = ( 0.5000000 0.5000000 0.0904722), wk = 0.0020661 k( 460) = ( 0.5000000 0.5000000 0.0995195), wk = 0.0020661 k( 461) = ( 0.5000000 0.5000000 0.1085667), wk = 0.0020661 k( 462) = ( 0.5000000 0.5000000 0.1176139), wk = 0.0020661 k( 463) = ( 0.5000000 0.5000000 0.1266611), wk = 0.0020661 k( 464) = ( 0.5000000 0.5000000 0.1357084), wk = 0.0020661 k( 465) = ( 0.5000000 0.5000000 0.1447556), wk = 0.0020661 k( 466) = ( 0.5000000 0.5000000 0.1538028), wk = 0.0020661 k( 467) = ( 0.5000000 0.5000000 0.1628500), wk = 0.0020661 k( 468) = ( 0.5000000 0.5000000 0.1718973), wk = 0.0020661 k( 469) = ( 0.5000000 0.5000000 0.1809445), wk = 0.0020661 k( 470) = ( 0.5000000 0.5000000 0.1899917), wk = 0.0020661 k( 471) = ( 0.5000000 0.5000000 0.1990389), wk = 0.0020661 k( 472) = ( 0.5000000 0.5000000 0.2080862), wk = 0.0020661 k( 473) = ( 0.5000000 0.5000000 0.2171334), wk = 0.0020661 k( 474) = ( 0.5000000 0.5000000 0.2261806), wk = 0.0020661 k( 475) = ( 0.5000000 0.5000000 0.2352278), wk = 0.0020661 k( 476) = ( 0.5000000 0.5000000 0.2442751), wk = 0.0020661 k( 477) = ( 0.5000000 0.5000000 0.2533223), wk = 0.0020661 k( 478) = ( 0.5000000 0.5000000 0.2623695), wk = 0.0020661 k( 479) = ( 0.5000000 0.5000000 0.2714167), wk = 0.0020661 k( 480) = ( 0.5000000 0.5000000 0.2804639), wk = 0.0020661 k( 481) = ( 0.5000000 0.5000000 0.2895112), wk = 0.0020661 k( 482) = ( 0.5000000 0.5000000 0.2985584), wk = 0.0020661 k( 483) = ( 0.5000000 0.5000000 0.3076056), wk = 0.0020661 k( 484) = ( 0.5000000 0.5000000 0.3166528), wk = 0.0020661 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0000000 0.0092593 0.0000000), wk = 0.0020661 k( 3) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0020661 k( 4) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0020661 k( 5) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0020661 k( 6) = ( 0.0000000 0.0462963 0.0000000), wk = 0.0020661 k( 7) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0020661 k( 8) = ( 0.0000000 0.0648148 0.0000000), wk = 0.0020661 k( 9) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0020661 k( 10) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0020661 k( 11) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0020661 k( 12) = ( 0.0000000 0.1018518 0.0000000), wk = 0.0020661 k( 13) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0020661 k( 14) = ( 0.0000000 0.1203704 0.0000000), wk = 0.0020661 k( 15) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0020661 k( 16) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0020661 k( 17) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0020661 k( 18) = ( 0.0000000 0.1574074 0.0000000), wk = 0.0020661 k( 19) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0020661 k( 20) = ( 0.0000000 0.1759259 0.0000000), wk = 0.0020661 k( 21) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0020661 k( 22) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0020661 k( 23) = ( 0.0000000 0.2037037 0.0000000), wk = 0.0020661 k( 24) = ( 0.0000000 0.2129630 0.0000000), wk = 0.0020661 k( 25) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0020661 k( 26) = ( 0.0000000 0.2314815 0.0000000), wk = 0.0020661 k( 27) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0020661 k( 28) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0020661 k( 29) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0020661 k( 30) = ( 0.0000000 0.2685185 0.0000000), wk = 0.0020661 k( 31) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0020661 k( 32) = ( 0.0000000 0.2870370 0.0000000), wk = 0.0020661 k( 33) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0020661 k( 34) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0020661 k( 35) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0020661 k( 36) = ( 0.0000000 0.3240741 0.0000000), wk = 0.0020661 k( 37) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0020661 k( 38) = ( 0.0000000 0.3425926 0.0000000), wk = 0.0020661 k( 39) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0020661 k( 40) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0020661 k( 41) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0020661 k( 42) = ( 0.0000000 0.3796296 0.0000000), wk = 0.0020661 k( 43) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0020661 k( 44) = ( 0.0000000 0.3981481 0.0000000), wk = 0.0020661 k( 45) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0020661 k( 46) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0020661 k( 47) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0020661 k( 48) = ( 0.0000000 0.4351852 0.0000000), wk = 0.0020661 k( 49) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0020661 k( 50) = ( 0.0000000 0.4537037 0.0000000), wk = 0.0020661 k( 51) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0020661 k( 52) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0020661 k( 53) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0020661 k( 54) = ( 0.0000000 0.4907407 0.0000000), wk = 0.0020661 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 57) = ( 0.0092593 0.5000000 0.0000000), wk = 0.0020661 k( 58) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0020661 k( 59) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0020661 k( 60) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0020661 k( 61) = ( 0.0462963 0.5000000 0.0000000), wk = 0.0020661 k( 62) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0020661 k( 63) = ( 0.0648148 0.5000000 0.0000000), wk = 0.0020661 k( 64) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0020661 k( 65) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0020661 k( 66) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0020661 k( 67) = ( 0.1018518 0.5000000 0.0000000), wk = 0.0020661 k( 68) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0020661 k( 69) = ( 0.1203704 0.5000000 0.0000000), wk = 0.0020661 k( 70) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0020661 k( 71) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0020661 k( 72) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0020661 k( 73) = ( 0.1574074 0.5000000 0.0000000), wk = 0.0020661 k( 74) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0020661 k( 75) = ( 0.1759259 0.5000000 0.0000000), wk = 0.0020661 k( 76) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0020661 k( 77) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0020661 k( 78) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0020661 k( 79) = ( 0.2129630 0.5000000 0.0000000), wk = 0.0020661 k( 80) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0020661 k( 81) = ( 0.2314815 0.5000000 0.0000000), wk = 0.0020661 k( 82) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0020661 k( 83) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0020661 k( 84) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0020661 k( 85) = ( 0.2685185 0.5000000 0.0000000), wk = 0.0020661 k( 86) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0020661 k( 87) = ( 0.2870370 0.5000000 -0.0000000), wk = 0.0020661 k( 88) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0020661 k( 89) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0020661 k( 90) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0020661 k( 91) = ( 0.3240741 0.5000000 0.0000000), wk = 0.0020661 k( 92) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0020661 k( 93) = ( 0.3425926 0.5000000 0.0000000), wk = 0.0020661 k( 94) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0020661 k( 95) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0020661 k( 96) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0020661 k( 97) = ( 0.3796296 0.5000000 0.0000000), wk = 0.0020661 k( 98) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0020661 k( 99) = ( 0.3981481 0.5000000 -0.0000000), wk = 0.0020661 k( 100) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0020661 k( 101) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0020661 k( 102) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0020661 k( 103) = ( 0.4351852 0.5000000 0.0000000), wk = 0.0020661 k( 104) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0020661 k( 105) = ( 0.4537037 0.5000000 0.0000000), wk = 0.0020661 k( 106) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0020661 k( 107) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0020661 k( 108) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0020661 k( 109) = ( 0.4907407 0.5000000 0.0000000), wk = 0.0020661 k( 110) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 111) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 112) = ( 0.4935065 0.4935065 0.0000000), wk = 0.0020661 k( 113) = ( 0.4870130 0.4870130 0.0000000), wk = 0.0020661 k( 114) = ( 0.4805195 0.4805195 0.0000000), wk = 0.0020661 k( 115) = ( 0.4740260 0.4740260 0.0000000), wk = 0.0020661 k( 116) = ( 0.4675325 0.4675325 0.0000000), wk = 0.0020661 k( 117) = ( 0.4610390 0.4610390 0.0000000), wk = 0.0020661 k( 118) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0020661 k( 119) = ( 0.4480519 0.4480519 0.0000000), wk = 0.0020661 k( 120) = ( 0.4415584 0.4415584 -0.0000000), wk = 0.0020661 k( 121) = ( 0.4350649 0.4350649 -0.0000000), wk = 0.0020661 k( 122) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0020661 k( 123) = ( 0.4220779 0.4220779 0.0000000), wk = 0.0020661 k( 124) = ( 0.4155844 0.4155844 0.0000000), wk = 0.0020661 k( 125) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0020661 k( 126) = ( 0.4025974 0.4025974 0.0000000), wk = 0.0020661 k( 127) = ( 0.3961039 0.3961039 -0.0000000), wk = 0.0020661 k( 128) = ( 0.3896104 0.3896104 -0.0000000), wk = 0.0020661 k( 129) = ( 0.3831169 0.3831169 0.0000000), wk = 0.0020661 k( 130) = ( 0.3766234 0.3766234 0.0000000), wk = 0.0020661 k( 131) = ( 0.3701299 0.3701299 0.0000000), wk = 0.0020661 k( 132) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0020661 k( 133) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0020661 k( 134) = ( 0.3506494 0.3506494 0.0000000), wk = 0.0020661 k( 135) = ( 0.3441558 0.3441558 -0.0000000), wk = 0.0020661 k( 136) = ( 0.3376623 0.3376623 0.0000000), wk = 0.0020661 k( 137) = ( 0.3311688 0.3311688 0.0000000), wk = 0.0020661 k( 138) = ( 0.3246753 0.3246753 0.0000000), wk = 0.0020661 k( 139) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0020661 k( 140) = ( 0.3116883 0.3116883 0.0000000), wk = 0.0020661 k( 141) = ( 0.3051948 0.3051948 -0.0000000), wk = 0.0020661 k( 142) = ( 0.2987013 0.2987013 0.0000000), wk = 0.0020661 k( 143) = ( 0.2922078 0.2922078 0.0000000), wk = 0.0020661 k( 144) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0020661 k( 145) = ( 0.2792208 0.2792208 -0.0000000), wk = 0.0020661 k( 146) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0020661 k( 147) = ( 0.2662338 0.2662338 0.0000000), wk = 0.0020661 k( 148) = ( 0.2597403 0.2597403 0.0000000), wk = 0.0020661 k( 149) = ( 0.2532468 0.2532468 0.0000000), wk = 0.0020661 k( 150) = ( 0.2467533 0.2467533 0.0000000), wk = 0.0020661 k( 151) = ( 0.2402597 0.2402597 0.0000000), wk = 0.0020661 k( 152) = ( 0.2337662 0.2337662 0.0000000), wk = 0.0020661 k( 153) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0020661 k( 154) = ( 0.2207792 0.2207792 -0.0000000), wk = 0.0020661 k( 155) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0020661 k( 156) = ( 0.2077922 0.2077922 0.0000000), wk = 0.0020661 k( 157) = ( 0.2012987 0.2012987 0.0000000), wk = 0.0020661 k( 158) = ( 0.1948052 0.1948052 0.0000000), wk = 0.0020661 k( 159) = ( 0.1883117 0.1883117 0.0000000), wk = 0.0020661 k( 160) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0020661 k( 161) = ( 0.1753247 0.1753247 -0.0000000), wk = 0.0020661 k( 162) = ( 0.1688312 0.1688312 0.0000000), wk = 0.0020661 k( 163) = ( 0.1623377 0.1623377 0.0000000), wk = 0.0020661 k( 164) = ( 0.1558442 0.1558442 0.0000000), wk = 0.0020661 k( 165) = ( 0.1493507 0.1493507 0.0000000), wk = 0.0020661 k( 166) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0020661 k( 167) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0020661 k( 168) = ( 0.1298701 0.1298701 0.0000000), wk = 0.0020661 k( 169) = ( 0.1233766 0.1233766 0.0000000), wk = 0.0020661 k( 170) = ( 0.1168831 0.1168831 0.0000000), wk = 0.0020661 k( 171) = ( 0.1103896 0.1103896 -0.0000000), wk = 0.0020661 k( 172) = ( 0.1038961 0.1038961 0.0000000), wk = 0.0020661 k( 173) = ( 0.0974026 0.0974026 0.0000000), wk = 0.0020661 k( 174) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0020661 k( 175) = ( 0.0844156 0.0844156 0.0000000), wk = 0.0020661 k( 176) = ( 0.0779221 0.0779221 0.0000000), wk = 0.0020661 k( 177) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0020661 k( 178) = ( 0.0649351 0.0649351 0.0000000), wk = 0.0020661 k( 179) = ( 0.0584416 0.0584416 0.0000000), wk = 0.0020661 k( 180) = ( 0.0519481 0.0519481 0.0000000), wk = 0.0020661 k( 181) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0020661 k( 182) = ( 0.0389610 0.0389610 0.0000000), wk = 0.0020661 k( 183) = ( 0.0324675 0.0324675 0.0000000), wk = 0.0020661 k( 184) = ( 0.0259740 0.0259740 0.0000000), wk = 0.0020661 k( 185) = ( 0.0194805 0.0194805 0.0000000), wk = 0.0020661 k( 186) = ( 0.0129870 0.0129870 0.0000000), wk = 0.0020661 k( 187) = ( 0.0064935 0.0064935 -0.0000000), wk = 0.0020661 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0020661 k( 209) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020661 k( 210) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020661 k( 211) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0020661 k( 212) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0020661 k( 213) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0020661 k( 214) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020661 k( 215) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0020661 k( 216) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0020661 k( 217) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020661 k( 218) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0020661 k( 219) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020661 k( 220) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0020661 k( 221) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0020661 k( 222) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0020661 k( 223) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0020661 k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 226) = ( 0.0000000 0.0092593 0.5000000), wk = 0.0020661 k( 227) = ( 0.0000000 0.0185185 0.5000000), wk = 0.0020661 k( 228) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0020661 k( 229) = ( 0.0000000 0.0370370 0.5000000), wk = 0.0020661 k( 230) = ( 0.0000000 0.0462963 0.5000000), wk = 0.0020661 k( 231) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0020661 k( 232) = ( 0.0000000 0.0648148 0.5000000), wk = 0.0020661 k( 233) = ( 0.0000000 0.0740741 0.5000000), wk = 0.0020661 k( 234) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0020661 k( 235) = ( 0.0000000 0.0925926 0.5000000), wk = 0.0020661 k( 236) = ( 0.0000000 0.1018518 0.5000000), wk = 0.0020661 k( 237) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0020661 k( 238) = ( 0.0000000 0.1203704 0.5000000), wk = 0.0020661 k( 239) = ( 0.0000000 0.1296296 0.5000000), wk = 0.0020661 k( 240) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0020661 k( 241) = ( 0.0000000 0.1481482 0.5000000), wk = 0.0020661 k( 242) = ( 0.0000000 0.1574074 0.5000000), wk = 0.0020661 k( 243) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0020661 k( 244) = ( 0.0000000 0.1759259 0.5000000), wk = 0.0020661 k( 245) = ( 0.0000000 0.1851852 0.5000000), wk = 0.0020661 k( 246) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0020661 k( 247) = ( 0.0000000 0.2037037 0.5000000), wk = 0.0020661 k( 248) = ( 0.0000000 0.2129630 0.5000000), wk = 0.0020661 k( 249) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0020661 k( 250) = ( 0.0000000 0.2314815 0.5000000), wk = 0.0020661 k( 251) = ( 0.0000000 0.2407407 0.5000000), wk = 0.0020661 k( 252) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0020661 k( 253) = ( 0.0000000 0.2592593 0.5000000), wk = 0.0020661 k( 254) = ( 0.0000000 0.2685185 0.5000000), wk = 0.0020661 k( 255) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0020661 k( 256) = ( 0.0000000 0.2870370 0.5000000), wk = 0.0020661 k( 257) = ( 0.0000000 0.2962963 0.5000000), wk = 0.0020661 k( 258) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0020661 k( 259) = ( 0.0000000 0.3148148 0.5000000), wk = 0.0020661 k( 260) = ( 0.0000000 0.3240741 0.5000000), wk = 0.0020661 k( 261) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0020661 k( 262) = ( 0.0000000 0.3425926 0.5000000), wk = 0.0020661 k( 263) = ( 0.0000000 0.3518519 0.5000000), wk = 0.0020661 k( 264) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0020661 k( 265) = ( 0.0000000 0.3703704 0.5000000), wk = 0.0020661 k( 266) = ( 0.0000000 0.3796296 0.5000000), wk = 0.0020661 k( 267) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0020661 k( 268) = ( 0.0000000 0.3981481 0.5000000), wk = 0.0020661 k( 269) = ( 0.0000000 0.4074074 0.5000000), wk = 0.0020661 k( 270) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0020661 k( 271) = ( 0.0000000 0.4259259 0.5000000), wk = 0.0020661 k( 272) = ( 0.0000000 0.4351852 0.5000000), wk = 0.0020661 k( 273) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0020661 k( 274) = ( 0.0000000 0.4537037 0.5000000), wk = 0.0020661 k( 275) = ( 0.0000000 0.4629630 0.5000000), wk = 0.0020661 k( 276) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0020661 k( 277) = ( 0.0000000 0.4814815 0.5000000), wk = 0.0020661 k( 278) = ( 0.0000000 0.4907407 0.5000000), wk = 0.0020661 k( 279) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 280) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 281) = ( 0.0092593 0.5000000 0.5000000), wk = 0.0020661 k( 282) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0020661 k( 283) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0020661 k( 284) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0020661 k( 285) = ( 0.0462963 0.5000000 0.5000000), wk = 0.0020661 k( 286) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0020661 k( 287) = ( 0.0648148 0.5000000 0.5000000), wk = 0.0020661 k( 288) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0020661 k( 289) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0020661 k( 290) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0020661 k( 291) = ( 0.1018518 0.5000000 0.5000000), wk = 0.0020661 k( 292) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0020661 k( 293) = ( 0.1203704 0.5000000 0.5000000), wk = 0.0020661 k( 294) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0020661 k( 295) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0020661 k( 296) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0020661 k( 297) = ( 0.1574074 0.5000000 0.5000000), wk = 0.0020661 k( 298) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0020661 k( 299) = ( 0.1759259 0.5000000 0.5000000), wk = 0.0020661 k( 300) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0020661 k( 301) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0020661 k( 302) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0020661 k( 303) = ( 0.2129630 0.5000000 0.5000000), wk = 0.0020661 k( 304) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0020661 k( 305) = ( 0.2314815 0.5000000 0.5000000), wk = 0.0020661 k( 306) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0020661 k( 307) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0020661 k( 308) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0020661 k( 309) = ( 0.2685185 0.5000000 0.5000000), wk = 0.0020661 k( 310) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0020661 k( 311) = ( 0.2870370 0.5000000 0.5000000), wk = 0.0020661 k( 312) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0020661 k( 313) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0020661 k( 314) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0020661 k( 315) = ( 0.3240741 0.5000000 0.5000000), wk = 0.0020661 k( 316) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0020661 k( 317) = ( 0.3425926 0.5000000 0.5000000), wk = 0.0020661 k( 318) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0020661 k( 319) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0020661 k( 320) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0020661 k( 321) = ( 0.3796296 0.5000000 0.5000000), wk = 0.0020661 k( 322) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0020661 k( 323) = ( 0.3981481 0.5000000 0.5000000), wk = 0.0020661 k( 324) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0020661 k( 325) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0020661 k( 326) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0020661 k( 327) = ( 0.4351852 0.5000000 0.5000000), wk = 0.0020661 k( 328) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0020661 k( 329) = ( 0.4537037 0.5000000 0.5000000), wk = 0.0020661 k( 330) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0020661 k( 331) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0020661 k( 332) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0020661 k( 333) = ( 0.4907407 0.5000000 0.5000000), wk = 0.0020661 k( 334) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 335) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 336) = ( 0.4935065 0.4935065 0.5000000), wk = 0.0020661 k( 337) = ( 0.4870130 0.4870130 0.5000000), wk = 0.0020661 k( 338) = ( 0.4805195 0.4805195 0.5000000), wk = 0.0020661 k( 339) = ( 0.4740260 0.4740260 0.5000000), wk = 0.0020661 k( 340) = ( 0.4675325 0.4675325 0.5000000), wk = 0.0020661 k( 341) = ( 0.4610390 0.4610390 0.5000000), wk = 0.0020661 k( 342) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0020661 k( 343) = ( 0.4480519 0.4480519 0.5000000), wk = 0.0020661 k( 344) = ( 0.4415584 0.4415584 0.5000000), wk = 0.0020661 k( 345) = ( 0.4350649 0.4350649 0.5000000), wk = 0.0020661 k( 346) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0020661 k( 347) = ( 0.4220779 0.4220779 0.5000000), wk = 0.0020661 k( 348) = ( 0.4155844 0.4155844 0.5000000), wk = 0.0020661 k( 349) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0020661 k( 350) = ( 0.4025974 0.4025974 0.5000000), wk = 0.0020661 k( 351) = ( 0.3961039 0.3961039 0.5000000), wk = 0.0020661 k( 352) = ( 0.3896104 0.3896104 0.5000000), wk = 0.0020661 k( 353) = ( 0.3831169 0.3831169 0.5000000), wk = 0.0020661 k( 354) = ( 0.3766234 0.3766234 0.5000000), wk = 0.0020661 k( 355) = ( 0.3701299 0.3701299 0.5000000), wk = 0.0020661 k( 356) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0020661 k( 357) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0020661 k( 358) = ( 0.3506494 0.3506494 0.5000000), wk = 0.0020661 k( 359) = ( 0.3441558 0.3441558 0.5000000), wk = 0.0020661 k( 360) = ( 0.3376623 0.3376623 0.5000000), wk = 0.0020661 k( 361) = ( 0.3311688 0.3311688 0.5000000), wk = 0.0020661 k( 362) = ( 0.3246753 0.3246753 0.5000000), wk = 0.0020661 k( 363) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0020661 k( 364) = ( 0.3116883 0.3116883 0.5000000), wk = 0.0020661 k( 365) = ( 0.3051948 0.3051948 0.5000000), wk = 0.0020661 k( 366) = ( 0.2987013 0.2987013 0.5000000), wk = 0.0020661 k( 367) = ( 0.2922078 0.2922078 0.5000000), wk = 0.0020661 k( 368) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0020661 k( 369) = ( 0.2792208 0.2792208 0.5000000), wk = 0.0020661 k( 370) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0020661 k( 371) = ( 0.2662338 0.2662338 0.5000000), wk = 0.0020661 k( 372) = ( 0.2597403 0.2597403 0.5000000), wk = 0.0020661 k( 373) = ( 0.2532468 0.2532468 0.5000000), wk = 0.0020661 k( 374) = ( 0.2467533 0.2467533 0.5000000), wk = 0.0020661 k( 375) = ( 0.2402597 0.2402597 0.5000000), wk = 0.0020661 k( 376) = ( 0.2337662 0.2337662 0.5000000), wk = 0.0020661 k( 377) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0020661 k( 378) = ( 0.2207792 0.2207792 0.5000000), wk = 0.0020661 k( 379) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0020661 k( 380) = ( 0.2077922 0.2077922 0.5000000), wk = 0.0020661 k( 381) = ( 0.2012987 0.2012987 0.5000000), wk = 0.0020661 k( 382) = ( 0.1948052 0.1948052 0.5000000), wk = 0.0020661 k( 383) = ( 0.1883117 0.1883117 0.5000000), wk = 0.0020661 k( 384) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0020661 k( 385) = ( 0.1753247 0.1753247 0.5000000), wk = 0.0020661 k( 386) = ( 0.1688312 0.1688312 0.5000000), wk = 0.0020661 k( 387) = ( 0.1623377 0.1623377 0.5000000), wk = 0.0020661 k( 388) = ( 0.1558442 0.1558442 0.5000000), wk = 0.0020661 k( 389) = ( 0.1493507 0.1493507 0.5000000), wk = 0.0020661 k( 390) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0020661 k( 391) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0020661 k( 392) = ( 0.1298701 0.1298701 0.5000000), wk = 0.0020661 k( 393) = ( 0.1233766 0.1233766 0.5000000), wk = 0.0020661 k( 394) = ( 0.1168831 0.1168831 0.5000000), wk = 0.0020661 k( 395) = ( 0.1103896 0.1103896 0.5000000), wk = 0.0020661 k( 396) = ( 0.1038961 0.1038961 0.5000000), wk = 0.0020661 k( 397) = ( 0.0974026 0.0974026 0.5000000), wk = 0.0020661 k( 398) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0020661 k( 399) = ( 0.0844156 0.0844156 0.5000000), wk = 0.0020661 k( 400) = ( 0.0779221 0.0779221 0.5000000), wk = 0.0020661 k( 401) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0020661 k( 402) = ( 0.0649351 0.0649351 0.5000000), wk = 0.0020661 k( 403) = ( 0.0584416 0.0584416 0.5000000), wk = 0.0020661 k( 404) = ( 0.0519481 0.0519481 0.5000000), wk = 0.0020661 k( 405) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0020661 k( 406) = ( 0.0389610 0.0389610 0.5000000), wk = 0.0020661 k( 407) = ( 0.0324675 0.0324675 0.5000000), wk = 0.0020661 k( 408) = ( 0.0259740 0.0259740 0.5000000), wk = 0.0020661 k( 409) = ( 0.0194805 0.0194805 0.5000000), wk = 0.0020661 k( 410) = ( 0.0129870 0.0129870 0.5000000), wk = 0.0020661 k( 411) = ( 0.0064935 0.0064935 0.5000000), wk = 0.0020661 k( 412) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 413) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 414) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0020661 k( 415) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0020661 k( 416) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0020661 k( 417) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0020661 k( 418) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0020661 k( 419) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0020661 k( 420) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0020661 k( 421) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0020661 k( 422) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0020661 k( 423) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0020661 k( 424) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0020661 k( 425) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0020661 k( 426) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0020661 k( 427) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0020661 k( 428) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0020661 k( 429) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0020661 k( 430) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0020661 k( 431) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0020661 k( 432) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0020661 k( 433) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0020661 k( 434) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0020661 k( 435) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0020661 k( 436) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0020661 k( 437) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0020661 k( 438) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0020661 k( 439) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0020661 k( 440) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0020661 k( 441) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0020661 k( 442) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0020661 k( 443) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0020661 k( 444) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0020661 k( 445) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0020661 k( 446) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0020661 k( 447) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0020661 k( 448) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 449) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 450) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0020661 k( 451) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0020661 k( 452) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0020661 k( 453) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0020661 k( 454) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0020661 k( 455) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0020661 k( 456) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0020661 k( 457) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0020661 k( 458) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0020661 k( 459) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0020661 k( 460) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0020661 k( 461) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0020661 k( 462) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0020661 k( 463) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0020661 k( 464) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0020661 k( 465) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0020661 k( 466) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0020661 k( 467) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0020661 k( 468) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0020661 k( 469) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0020661 k( 470) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0020661 k( 471) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0020661 k( 472) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0020661 k( 473) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0020661 k( 474) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0020661 k( 475) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0020661 k( 476) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0020661 k( 477) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0020661 k( 478) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0020661 k( 479) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0020661 k( 480) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0020661 k( 481) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0020661 k( 482) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0020661 k( 483) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0020661 k( 484) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 Dense grid: 61439 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 13367 G-vectors FFT dimensions: ( 25, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 88, 34) NL pseudopotentials 0.05 Mb ( 44, 72) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1287) G-vector shells 0.00 Mb ( 620) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 88, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.07 Mb ( 72, 2, 34) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./TiH.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.2 secs Computing kpt #: 2 total cpu time spent up to now is 41.6 secs Computing kpt #: 3 total cpu time spent up to now is 42.0 secs Computing kpt #: 4 total cpu time spent up to now is 42.4 secs Computing kpt #: 5 total cpu time spent up to now is 42.8 secs Computing kpt #: 6 total cpu time spent up to now is 43.1 secs Computing kpt #: 7 total cpu time spent up to now is 43.5 secs Computing kpt #: 8 total cpu time spent up to now is 43.9 secs Computing kpt #: 9 total cpu time spent up to now is 44.3 secs Computing kpt #: 10 total cpu time spent up to now is 44.7 secs Computing kpt #: 11 total cpu time spent up to now is 45.1 secs Computing kpt #: 12 total cpu time spent up to now is 45.4 secs Computing kpt #: 13 total cpu time spent up to now is 45.8 secs Computing kpt #: 14 total cpu time spent up to now is 46.3 secs Computing kpt #: 15 total cpu time spent up to now is 46.7 secs Computing kpt #: 16 total cpu time spent up to now is 47.1 secs Computing kpt #: 17 total cpu time spent up to now is 47.6 secs Computing kpt #: 18 total cpu time spent up to now is 48.1 secs Computing kpt #: 19 total cpu time spent up to now is 48.6 secs Computing kpt #: 20 total cpu time spent up to now is 49.1 secs Computing kpt #: 21 total cpu time spent up to now is 49.6 secs Computing kpt #: 22 total cpu time spent up to now is 50.2 secs Computing kpt #: 23 total cpu time spent up to now is 50.7 secs Computing kpt #: 24 total cpu time spent up to now is 51.2 secs Computing kpt #: 25 total cpu time spent up to now is 51.8 secs Computing kpt #: 26 total cpu time spent up to now is 52.4 secs Computing kpt #: 27 total cpu time spent up to now is 52.9 secs Computing kpt #: 28 total cpu time spent up to now is 53.5 secs Computing kpt #: 29 total cpu time spent up to now is 54.0 secs Computing kpt #: 30 total cpu time spent up to now is 54.7 secs Computing kpt #: 31 total cpu time spent up to now is 55.4 secs Computing kpt #: 32 total cpu time spent up to now is 55.9 secs Computing kpt #: 33 total cpu time spent up to now is 56.5 secs Computing kpt #: 34 total cpu time spent up to now is 56.9 secs Computing kpt #: 35 total cpu time spent up to now is 57.4 secs Computing kpt #: 36 total cpu time spent up to now is 57.8 secs Computing kpt #: 37 total cpu time spent up to now is 58.2 secs Computing kpt #: 38 total cpu time spent up to now is 58.5 secs Computing kpt #: 39 total cpu time spent up to now is 58.9 secs Computing kpt #: 40 total cpu time spent up to now is 59.3 secs Computing kpt #: 41 total cpu time spent up to now is 59.7 secs Computing kpt #: 42 total cpu time spent up to now is 60.2 secs Computing kpt #: 43 total cpu time spent up to now is 60.6 secs Computing kpt #: 44 total cpu time spent up to now is 61.0 secs Computing kpt #: 45 total cpu time spent up to now is 61.5 secs Computing kpt #: 46 total cpu time spent up to now is 62.0 secs Computing kpt #: 47 total cpu time spent up to now is 62.5 secs Computing kpt #: 48 total cpu time spent up to now is 63.0 secs Computing kpt #: 49 total cpu time spent up to now is 63.5 secs Computing kpt #: 50 total cpu time spent up to now is 64.0 secs Computing kpt #: 51 total cpu time spent up to now is 64.5 secs Computing kpt #: 52 total cpu time spent up to now is 64.9 secs Computing kpt #: 53 total cpu time spent up to now is 65.4 secs Computing kpt #: 54 total cpu time spent up to now is 65.9 secs Computing kpt #: 55 total cpu time spent up to now is 66.4 secs Computing kpt #: 56 total cpu time spent up to now is 66.9 secs Computing kpt #: 57 total cpu time spent up to now is 67.4 secs Computing kpt #: 58 total cpu time spent up to now is 67.9 secs Computing kpt #: 59 total cpu time spent up to now is 68.4 secs Computing kpt #: 60 total cpu time spent up to now is 68.9 secs Computing kpt #: 61 total cpu time spent up to now is 69.4 secs Computing kpt #: 62 total cpu time spent up to now is 69.8 secs Computing kpt #: 63 total cpu time spent up to now is 70.3 secs Computing kpt #: 64 total cpu time spent up to now is 70.8 secs Computing kpt #: 65 total cpu time spent up to now is 71.3 secs Computing kpt #: 66 total cpu time spent up to now is 71.8 secs Computing kpt #: 67 total cpu time spent up to now is 72.3 secs Computing kpt #: 68 total cpu time spent up to now is 72.8 secs Computing kpt #: 69 total cpu time spent up to now is 73.3 secs Computing kpt #: 70 total cpu time spent up to now is 73.8 secs Computing kpt #: 71 total cpu time spent up to now is 74.3 secs Computing kpt #: 72 total cpu time spent up to now is 74.8 secs Computing kpt #: 73 total cpu time spent up to now is 75.2 secs Computing kpt #: 74 total cpu time spent up to now is 75.7 secs Computing kpt #: 75 total cpu time spent up to now is 76.2 secs Computing kpt #: 76 total cpu time spent up to now is 76.7 secs Computing kpt #: 77 total cpu time spent up to now is 77.2 secs Computing kpt #: 78 total cpu time spent up to now is 77.7 secs Computing kpt #: 79 total cpu time spent up to now is 78.2 secs Computing kpt #: 80 total cpu time spent up to now is 78.7 secs Computing kpt #: 81 total cpu time spent up to now is 79.4 secs Computing kpt #: 82 total cpu time spent up to now is 80.0 secs Computing kpt #: 83 total cpu time spent up to now is 80.5 secs Computing kpt #: 84 total cpu time spent up to now is 81.0 secs Computing kpt #: 85 total cpu time spent up to now is 81.5 secs Computing kpt #: 86 total cpu time spent up to now is 82.2 secs Computing kpt #: 87 total cpu time spent up to now is 82.8 secs Computing kpt #: 88 total cpu time spent up to now is 83.4 secs Computing kpt #: 89 total cpu time spent up to now is 84.1 secs Computing kpt #: 90 total cpu time spent up to now is 84.7 secs Computing kpt #: 91 total cpu time spent up to now is 85.4 secs Computing kpt #: 92 total cpu time spent up to now is 86.2 secs Computing kpt #: 93 total cpu time spent up to now is 86.9 secs Computing kpt #: 94 total cpu time spent up to now is 87.6 secs Computing kpt #: 95 total cpu time spent up to now is 88.4 secs Computing kpt #: 96 total cpu time spent up to now is 89.2 secs Computing kpt #: 97 total cpu time spent up to now is 90.1 secs Computing kpt #: 98 total cpu time spent up to now is 90.8 secs Computing kpt #: 99 total cpu time spent up to now is 91.7 secs Computing kpt #: 100 total cpu time spent up to now is 92.2 secs Computing kpt #: 101 total cpu time spent up to now is 92.8 secs Computing kpt #: 102 total cpu time spent up to now is 93.5 secs Computing kpt #: 103 total cpu time spent up to now is 94.0 secs Computing kpt #: 104 total cpu time spent up to now is 94.9 secs Computing kpt #: 105 total cpu time spent up to now is 95.8 secs Computing kpt #: 106 total cpu time spent up to now is 96.5 secs Computing kpt #: 107 total cpu time spent up to now is 97.2 secs Computing kpt #: 108 total cpu time spent up to now is 98.0 secs Computing kpt #: 109 total cpu time spent up to now is 98.7 secs Computing kpt #: 110 total cpu time spent up to now is 99.2 secs Computing kpt #: 111 total cpu time spent up to now is 99.6 secs Computing kpt #: 112 total cpu time spent up to now is 100.3 secs Computing kpt #: 113 total cpu time spent up to now is 101.0 secs Computing kpt #: 114 total cpu time spent up to now is 101.7 secs Computing kpt #: 115 total cpu time spent up to now is 102.4 secs Computing kpt #: 116 total cpu time spent up to now is 103.2 secs Computing kpt #: 117 total cpu time spent up to now is 104.3 secs Computing kpt #: 118 total cpu time spent up to now is 105.3 secs Computing kpt #: 119 total cpu time spent up to now is 106.2 secs Computing kpt #: 120 total cpu time spent up to now is 107.0 secs Computing kpt #: 121 total cpu time spent up to now is 108.0 secs Computing kpt #: 122 total cpu time spent up to now is 108.8 secs Computing kpt #: 123 total cpu time spent up to now is 109.7 secs Computing kpt #: 124 total cpu time spent up to now is 110.5 secs Computing kpt #: 125 total cpu time spent up to now is 111.4 secs Computing kpt #: 126 total cpu time spent up to now is 112.1 secs Computing kpt #: 127 total cpu time spent up to now is 112.9 secs Computing kpt #: 128 total cpu time spent up to now is 113.7 secs Computing kpt #: 129 total cpu time spent up to now is 114.4 secs Computing kpt #: 130 total cpu time spent up to now is 115.3 secs Computing kpt #: 131 total cpu time spent up to now is 116.0 secs Computing kpt #: 132 total cpu time spent up to now is 116.6 secs Computing kpt #: 133 total cpu time spent up to now is 117.2 secs Computing kpt #: 134 total cpu time spent up to now is 117.7 secs Computing kpt #: 135 total cpu time spent up to now is 118.2 secs Computing kpt #: 136 total cpu time spent up to now is 118.7 secs Computing kpt #: 137 total cpu time spent up to now is 119.1 secs Computing kpt #: 138 total cpu time spent up to now is 119.6 secs Computing kpt #: 139 total cpu time spent up to now is 120.1 secs Computing kpt #: 140 total cpu time spent up to now is 120.6 secs Computing kpt #: 141 total cpu time spent up to now is 121.1 secs Computing kpt #: 142 total cpu time spent up to now is 121.5 secs Computing kpt #: 143 total cpu time spent up to now is 122.0 secs Computing kpt #: 144 total cpu time spent up to now is 122.5 secs Computing kpt #: 145 total cpu time spent up to now is 122.9 secs Computing kpt #: 146 total cpu time spent up to now is 123.3 secs Computing kpt #: 147 total cpu time spent up to now is 123.8 secs Computing kpt #: 148 total cpu time spent up to now is 124.2 secs Computing kpt #: 149 total cpu time spent up to now is 124.5 secs Computing kpt #: 150 total cpu time spent up to now is 124.9 secs Computing kpt #: 151 total cpu time spent up to now is 125.3 secs Computing kpt #: 152 total cpu time spent up to now is 125.7 secs Computing kpt #: 153 total cpu time spent up to now is 126.1 secs Computing kpt #: 154 total cpu time spent up to now is 126.5 secs Computing kpt #: 155 total cpu time spent up to now is 127.0 secs Computing kpt #: 156 total cpu time spent up to now is 127.6 secs Computing kpt #: 157 total cpu time spent up to now is 128.2 secs Computing kpt #: 158 total cpu time spent up to now is 128.8 secs Computing kpt #: 159 total cpu time spent up to now is 129.4 secs Computing kpt #: 160 total cpu time spent up to now is 130.1 secs Computing kpt #: 161 total cpu time spent up to now is 130.7 secs Computing kpt #: 162 total cpu time spent up to now is 131.3 secs Computing kpt #: 163 total cpu time spent up to now is 132.0 secs Computing kpt #: 164 total cpu time spent up to now is 132.6 secs Computing kpt #: 165 total cpu time spent up to now is 133.0 secs Computing kpt #: 166 total cpu time spent up to now is 133.5 secs Computing kpt #: 167 total cpu time spent up to now is 134.0 secs Computing kpt #: 168 total cpu time spent up to now is 134.3 secs Computing kpt #: 169 total cpu time spent up to now is 134.8 secs Computing kpt #: 170 total cpu time spent up to now is 135.2 secs Computing kpt #: 171 total cpu time spent up to now is 135.6 secs Computing kpt #: 172 total cpu time spent up to now is 135.9 secs Computing kpt #: 173 total cpu time spent up to now is 136.3 secs Computing kpt #: 174 total cpu time spent up to now is 136.7 secs Computing kpt #: 175 total cpu time spent up to now is 137.0 secs Computing kpt #: 176 total cpu time spent up to now is 137.4 secs Computing kpt #: 177 total cpu time spent up to now is 137.8 secs Computing kpt #: 178 total cpu time spent up to now is 138.1 secs Computing kpt #: 179 total cpu time spent up to now is 138.5 secs Computing kpt #: 180 total cpu time spent up to now is 138.9 secs Computing kpt #: 181 total cpu time spent up to now is 139.3 secs Computing kpt #: 182 total cpu time spent up to now is 139.7 secs Computing kpt #: 183 total cpu time spent up to now is 140.0 secs Computing kpt #: 184 total cpu time spent up to now is 140.4 secs Computing kpt #: 185 total cpu time spent up to now is 140.8 secs Computing kpt #: 186 total cpu time spent up to now is 141.1 secs Computing kpt #: 187 total cpu time spent up to now is 141.5 secs Computing kpt #: 188 total cpu time spent up to now is 141.9 secs Computing kpt #: 189 total cpu time spent up to now is 142.2 secs Computing kpt #: 190 total cpu time spent up to now is 142.6 secs Computing kpt #: 191 total cpu time spent up to now is 143.0 secs Computing kpt #: 192 total cpu time spent up to now is 143.3 secs Computing kpt #: 193 total cpu time spent up to now is 143.8 secs Computing kpt #: 194 total cpu time spent up to now is 144.2 secs Computing kpt #: 195 total cpu time spent up to now is 144.6 secs Computing kpt #: 196 total cpu time spent up to now is 145.0 secs Computing kpt #: 197 total cpu time spent up to now is 145.4 secs Computing kpt #: 198 total cpu time spent up to now is 145.8 secs Computing kpt #: 199 total cpu time spent up to now is 146.2 secs Computing kpt #: 200 total cpu time spent up to now is 146.5 secs Computing kpt #: 201 total cpu time spent up to now is 146.9 secs Computing kpt #: 202 total cpu time spent up to now is 147.4 secs Computing kpt #: 203 total cpu time spent up to now is 147.8 secs Computing kpt #: 204 total cpu time spent up to now is 148.1 secs Computing kpt #: 205 total cpu time spent up to now is 148.5 secs Computing kpt #: 206 total cpu time spent up to now is 149.1 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.9 secs Computing kpt #: 208 total cpu time spent up to now is 151.8 secs Computing kpt #: 209 total cpu time spent up to now is 152.5 secs Computing kpt #: 210 total cpu time spent up to now is 153.2 secs Computing kpt #: 211 total cpu time spent up to now is 153.9 secs Computing kpt #: 212 total cpu time spent up to now is 154.5 secs Computing kpt #: 213 total cpu time spent up to now is 155.2 secs Computing kpt #: 214 total cpu time spent up to now is 155.8 secs Computing kpt #: 215 total cpu time spent up to now is 156.6 secs Computing kpt #: 216 total cpu time spent up to now is 157.3 secs Computing kpt #: 217 total cpu time spent up to now is 157.9 secs Computing kpt #: 218 total cpu time spent up to now is 158.6 secs Computing kpt #: 219 total cpu time spent up to now is 159.2 secs Computing kpt #: 220 total cpu time spent up to now is 159.9 secs Computing kpt #: 221 total cpu time spent up to now is 160.6 secs Computing kpt #: 222 total cpu time spent up to now is 161.2 secs Computing kpt #: 223 total cpu time spent up to now is 161.9 secs Computing kpt #: 224 total cpu time spent up to now is 162.3 secs Computing kpt #: 225 total cpu time spent up to now is 162.7 secs Computing kpt #: 226 total cpu time spent up to now is 163.3 secs Computing kpt #: 227 total cpu time spent up to now is 164.0 secs Computing kpt #: 228 total cpu time spent up to now is 164.7 secs Computing kpt #: 229 total cpu time spent up to now is 165.4 secs Computing kpt #: 230 total cpu time spent up to now is 166.1 secs Computing kpt #: 231 total cpu time spent up to now is 166.8 secs Computing kpt #: 232 total cpu time spent up to now is 167.4 secs Computing kpt #: 233 total cpu time spent up to now is 168.0 secs Computing kpt #: 234 total cpu time spent up to now is 168.7 secs Computing kpt #: 235 total cpu time spent up to now is 169.3 secs Computing kpt #: 236 total cpu time spent up to now is 169.9 secs Computing kpt #: 237 total cpu time spent up to now is 170.5 secs Computing kpt #: 238 total cpu time spent up to now is 171.0 secs Computing kpt #: 239 total cpu time spent up to now is 171.6 secs Computing kpt #: 240 total cpu time spent up to now is 172.2 secs Computing kpt #: 241 total cpu time spent up to now is 172.9 secs Computing kpt #: 242 total cpu time spent up to now is 173.6 secs Computing kpt #: 243 total cpu time spent up to now is 174.3 secs Computing kpt #: 244 total cpu time spent up to now is 175.0 secs Computing kpt #: 245 total cpu time spent up to now is 175.7 secs Computing kpt #: 246 total cpu time spent up to now is 176.4 secs Computing kpt #: 247 total cpu time spent up to now is 177.0 secs Computing kpt #: 248 total cpu time spent up to now is 177.7 secs Computing kpt #: 249 total cpu time spent up to now is 178.4 secs Computing kpt #: 250 total cpu time spent up to now is 179.0 secs Computing kpt #: 251 total cpu time spent up to now is 179.7 secs Computing kpt #: 252 total cpu time spent up to now is 180.4 secs Computing kpt #: 253 total cpu time spent up to now is 181.1 secs Computing kpt #: 254 total cpu time spent up to now is 181.8 secs Computing kpt #: 255 total cpu time spent up to now is 182.5 secs Computing kpt #: 256 total cpu time spent up to now is 183.2 secs Computing kpt #: 257 total cpu time spent up to now is 183.9 secs Computing kpt #: 258 total cpu time spent up to now is 184.6 secs Computing kpt #: 259 total cpu time spent up to now is 185.3 secs Computing kpt #: 260 total cpu time spent up to now is 186.0 secs Computing kpt #: 261 total cpu time spent up to now is 186.7 secs Computing kpt #: 262 total cpu time spent up to now is 187.9 secs Computing kpt #: 263 total cpu time spent up to now is 188.8 secs Computing kpt #: 264 total cpu time spent up to now is 189.5 secs Computing kpt #: 265 total cpu time spent up to now is 190.0 secs Computing kpt #: 266 total cpu time spent up to now is 190.5 secs Computing kpt #: 267 total cpu time spent up to now is 191.0 secs Computing kpt #: 268 total cpu time spent up to now is 191.5 secs Computing kpt #: 269 total cpu time spent up to now is 192.1 secs Computing kpt #: 270 total cpu time spent up to now is 192.6 secs Computing kpt #: 271 total cpu time spent up to now is 193.2 secs Computing kpt #: 272 total cpu time spent up to now is 193.7 secs Computing kpt #: 273 total cpu time spent up to now is 194.2 secs Computing kpt #: 274 total cpu time spent up to now is 194.6 secs Computing kpt #: 275 total cpu time spent up to now is 195.1 secs Computing kpt #: 276 total cpu time spent up to now is 195.5 secs Computing kpt #: 277 total cpu time spent up to now is 196.0 secs Computing kpt #: 278 total cpu time spent up to now is 196.4 secs Computing kpt #: 279 total cpu time spent up to now is 196.8 secs Computing kpt #: 280 total cpu time spent up to now is 197.3 secs Computing kpt #: 281 total cpu time spent up to now is 197.7 secs Computing kpt #: 282 total cpu time spent up to now is 198.2 secs Computing kpt #: 283 total cpu time spent up to now is 198.7 secs Computing kpt #: 284 total cpu time spent up to now is 199.2 secs Computing kpt #: 285 total cpu time spent up to now is 199.8 secs Computing kpt #: 286 total cpu time spent up to now is 200.3 secs Computing kpt #: 287 total cpu time spent up to now is 200.8 secs Computing kpt #: 288 total cpu time spent up to now is 201.4 secs Computing kpt #: 289 total cpu time spent up to now is 201.9 secs Computing kpt #: 290 total cpu time spent up to now is 202.6 secs Computing kpt #: 291 total cpu time spent up to now is 203.4 secs Computing kpt #: 292 total cpu time spent up to now is 204.2 secs Computing kpt #: 293 total cpu time spent up to now is 205.4 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.8 secs Computing kpt #: 295 total cpu time spent up to now is 207.8 secs Computing kpt #: 296 total cpu time spent up to now is 208.6 secs Computing kpt #: 297 total cpu time spent up to now is 209.2 secs Computing kpt #: 298 total cpu time spent up to now is 209.9 secs Computing kpt #: 299 total cpu time spent up to now is 210.7 secs Computing kpt #: 300 total cpu time spent up to now is 211.4 secs Computing kpt #: 301 total cpu time spent up to now is 212.0 secs Computing kpt #: 302 total cpu time spent up to now is 212.7 secs Computing kpt #: 303 total cpu time spent up to now is 213.3 secs Computing kpt #: 304 total cpu time spent up to now is 213.9 secs Computing kpt #: 305 total cpu time spent up to now is 214.6 secs Computing kpt #: 306 total cpu time spent up to now is 215.2 secs Computing kpt #: 307 total cpu time spent up to now is 215.7 secs Computing kpt #: 308 total cpu time spent up to now is 216.3 secs Computing kpt #: 309 total cpu time spent up to now is 216.9 secs Computing kpt #: 310 total cpu time spent up to now is 217.5 secs Computing kpt #: 311 total cpu time spent up to now is 218.1 secs Computing kpt #: 312 total cpu time spent up to now is 218.8 secs Computing kpt #: 313 total cpu time spent up to now is 219.3 secs Computing kpt #: 314 total cpu time spent up to now is 219.8 secs Computing kpt #: 315 total cpu time spent up to now is 220.4 secs Computing kpt #: 316 total cpu time spent up to now is 220.9 secs Computing kpt #: 317 total cpu time spent up to now is 221.5 secs Computing kpt #: 318 total cpu time spent up to now is 222.1 secs Computing kpt #: 319 total cpu time spent up to now is 222.7 secs Computing kpt #: 320 total cpu time spent up to now is 223.3 secs Computing kpt #: 321 total cpu time spent up to now is 223.9 secs Computing kpt #: 322 total cpu time spent up to now is 224.5 secs Computing kpt #: 323 total cpu time spent up to now is 225.1 secs Computing kpt #: 324 total cpu time spent up to now is 225.7 secs Computing kpt #: 325 total cpu time spent up to now is 226.3 secs Computing kpt #: 326 total cpu time spent up to now is 227.0 secs Computing kpt #: 327 total cpu time spent up to now is 227.6 secs Computing kpt #: 328 total cpu time spent up to now is 228.3 secs Computing kpt #: 329 total cpu time spent up to now is 229.0 secs Computing kpt #: 330 total cpu time spent up to now is 229.7 secs Computing kpt #: 331 total cpu time spent up to now is 230.4 secs Computing kpt #: 332 total cpu time spent up to now is 231.1 secs Computing kpt #: 333 total cpu time spent up to now is 231.8 secs Computing kpt #: 334 total cpu time spent up to now is 232.1 secs Computing kpt #: 335 total cpu time spent up to now is 232.5 secs Computing kpt #: 336 total cpu time spent up to now is 233.2 secs Computing kpt #: 337 total cpu time spent up to now is 233.9 secs Computing kpt #: 338 total cpu time spent up to now is 234.6 secs Computing kpt #: 339 total cpu time spent up to now is 235.4 secs Computing kpt #: 340 total cpu time spent up to now is 236.1 secs Computing kpt #: 341 total cpu time spent up to now is 236.9 secs Computing kpt #: 342 total cpu time spent up to now is 237.6 secs Computing kpt #: 343 total cpu time spent up to now is 238.4 secs Computing kpt #: 344 total cpu time spent up to now is 239.1 secs Computing kpt #: 345 total cpu time spent up to now is 239.9 secs Computing kpt #: 346 total cpu time spent up to now is 240.6 secs Computing kpt #: 347 total cpu time spent up to now is 241.4 secs Computing kpt #: 348 total cpu time spent up to now is 242.2 secs Computing kpt #: 349 total cpu time spent up to now is 242.9 secs Computing kpt #: 350 total cpu time spent up to now is 243.4 secs Computing kpt #: 351 total cpu time spent up to now is 244.5 secs Computing kpt #: 352 total cpu time spent up to now is 245.2 secs Computing kpt #: 353 total cpu time spent up to now is 245.8 secs Computing kpt #: 354 total cpu time spent up to now is 246.6 secs Computing kpt #: 355 total cpu time spent up to now is 247.1 secs Computing kpt #: 356 total cpu time spent up to now is 247.7 secs Computing kpt #: 357 total cpu time spent up to now is 248.2 secs Computing kpt #: 358 total cpu time spent up to now is 248.7 secs Computing kpt #: 359 total cpu time spent up to now is 249.3 secs Computing kpt #: 360 total cpu time spent up to now is 249.8 secs Computing kpt #: 361 total cpu time spent up to now is 250.3 secs Computing kpt #: 362 total cpu time spent up to now is 251.1 secs Computing kpt #: 363 total cpu time spent up to now is 251.6 secs Computing kpt #: 364 total cpu time spent up to now is 252.1 secs Computing kpt #: 365 total cpu time spent up to now is 252.9 secs Computing kpt #: 366 total cpu time spent up to now is 253.6 secs Computing kpt #: 367 total cpu time spent up to now is 254.4 secs Computing kpt #: 368 total cpu time spent up to now is 255.1 secs Computing kpt #: 369 total cpu time spent up to now is 255.8 secs Computing kpt #: 370 total cpu time spent up to now is 256.5 secs Computing kpt #: 371 total cpu time spent up to now is 257.2 secs Computing kpt #: 372 total cpu time spent up to now is 257.9 secs Computing kpt #: 373 total cpu time spent up to now is 258.6 secs Computing kpt #: 374 total cpu time spent up to now is 259.4 secs Computing kpt #: 375 total cpu time spent up to now is 260.2 secs Computing kpt #: 376 total cpu time spent up to now is 260.9 secs Computing kpt #: 377 total cpu time spent up to now is 261.6 secs Computing kpt #: 378 total cpu time spent up to now is 262.3 secs Computing kpt #: 379 total cpu time spent up to now is 263.1 secs Computing kpt #: 380 total cpu time spent up to now is 263.7 secs Computing kpt #: 381 total cpu time spent up to now is 264.5 secs Computing kpt #: 382 total cpu time spent up to now is 265.2 secs Computing kpt #: 383 total cpu time spent up to now is 266.0 secs Computing kpt #: 384 total cpu time spent up to now is 266.7 secs Computing kpt #: 385 total cpu time spent up to now is 267.5 secs Computing kpt #: 386 total cpu time spent up to now is 268.2 secs Computing kpt #: 387 total cpu time spent up to now is 269.2 secs Computing kpt #: 388 total cpu time spent up to now is 269.9 secs Computing kpt #: 389 total cpu time spent up to now is 270.6 secs Computing kpt #: 390 total cpu time spent up to now is 271.3 secs Computing kpt #: 391 total cpu time spent up to now is 272.0 secs Computing kpt #: 392 total cpu time spent up to now is 272.7 secs Computing kpt #: 393 total cpu time spent up to now is 273.4 secs Computing kpt #: 394 total cpu time spent up to now is 274.1 secs Computing kpt #: 395 total cpu time spent up to now is 274.8 secs Computing kpt #: 396 total cpu time spent up to now is 275.4 secs Computing kpt #: 397 total cpu time spent up to now is 276.2 secs Computing kpt #: 398 total cpu time spent up to now is 276.9 secs Computing kpt #: 399 total cpu time spent up to now is 277.7 secs Computing kpt #: 400 total cpu time spent up to now is 278.4 secs Computing kpt #: 401 total cpu time spent up to now is 279.2 secs Computing kpt #: 402 total cpu time spent up to now is 279.9 secs Computing kpt #: 403 total cpu time spent up to now is 280.6 secs Computing kpt #: 404 total cpu time spent up to now is 281.3 secs Computing kpt #: 405 total cpu time spent up to now is 282.0 secs Computing kpt #: 406 total cpu time spent up to now is 282.8 secs Computing kpt #: 407 total cpu time spent up to now is 283.6 secs Computing kpt #: 408 total cpu time spent up to now is 284.3 secs Computing kpt #: 409 total cpu time spent up to now is 285.0 secs Computing kpt #: 410 total cpu time spent up to now is 285.7 secs Computing kpt #: 411 total cpu time spent up to now is 286.4 secs Computing kpt #: 412 total cpu time spent up to now is 286.8 secs Computing kpt #: 413 total cpu time spent up to now is 287.3 secs Computing kpt #: 414 total cpu time spent up to now is 287.7 secs Computing kpt #: 415 total cpu time spent up to now is 288.3 secs Computing kpt #: 416 total cpu time spent up to now is 288.8 secs Computing kpt #: 417 total cpu time spent up to now is 289.3 secs Computing kpt #: 418 total cpu time spent up to now is 289.8 secs Computing kpt #: 419 total cpu time spent up to now is 290.2 secs Computing kpt #: 420 total cpu time spent up to now is 290.6 secs Computing kpt #: 421 total cpu time spent up to now is 291.1 secs Computing kpt #: 422 total cpu time spent up to now is 291.6 secs Computing kpt #: 423 total cpu time spent up to now is 292.1 secs Computing kpt #: 424 total cpu time spent up to now is 292.6 secs Computing kpt #: 425 total cpu time spent up to now is 293.1 secs Computing kpt #: 426 total cpu time spent up to now is 293.5 secs Computing kpt #: 427 total cpu time spent up to now is 294.1 secs Computing kpt #: 428 total cpu time spent up to now is 294.6 secs Computing kpt #: 429 total cpu time spent up to now is 295.2 secs Computing kpt #: 430 total cpu time spent up to now is 295.6 secs Computing kpt #: 431 total cpu time spent up to now is 296.1 secs Computing kpt #: 432 total cpu time spent up to now is 296.7 secs Computing kpt #: 433 total cpu time spent up to now is 297.2 secs Computing kpt #: 434 total cpu time spent up to now is 297.7 secs Computing kpt #: 435 total cpu time spent up to now is 298.3 secs Computing kpt #: 436 total cpu time spent up to now is 298.8 secs Computing kpt #: 437 total cpu time spent up to now is 299.3 secs Computing kpt #: 438 total cpu time spent up to now is 299.9 secs Computing kpt #: 439 total cpu time spent up to now is 300.5 secs Computing kpt #: 440 total cpu time spent up to now is 301.1 secs Computing kpt #: 441 total cpu time spent up to now is 301.6 secs Computing kpt #: 442 total cpu time spent up to now is 302.0 secs Computing kpt #: 443 total cpu time spent up to now is 302.5 secs Computing kpt #: 444 total cpu time spent up to now is 303.0 secs Computing kpt #: 445 total cpu time spent up to now is 303.4 secs Computing kpt #: 446 total cpu time spent up to now is 303.9 secs Computing kpt #: 447 total cpu time spent up to now is 304.3 secs Computing kpt #: 448 total cpu time spent up to now is 304.8 secs Computing kpt #: 449 total cpu time spent up to now is 305.1 secs Computing kpt #: 450 total cpu time spent up to now is 305.7 secs Computing kpt #: 451 total cpu time spent up to now is 306.1 secs Computing kpt #: 452 total cpu time spent up to now is 306.5 secs Computing kpt #: 453 total cpu time spent up to now is 306.9 secs Computing kpt #: 454 total cpu time spent up to now is 307.4 secs Computing kpt #: 455 total cpu time spent up to now is 307.8 secs Computing kpt #: 456 total cpu time spent up to now is 308.2 secs Computing kpt #: 457 total cpu time spent up to now is 308.6 secs Computing kpt #: 458 total cpu time spent up to now is 309.0 secs Computing kpt #: 459 total cpu time spent up to now is 309.4 secs Computing kpt #: 460 total cpu time spent up to now is 309.8 secs Computing kpt #: 461 total cpu time spent up to now is 310.3 secs Computing kpt #: 462 total cpu time spent up to now is 310.7 secs Computing kpt #: 463 total cpu time spent up to now is 311.2 secs Computing kpt #: 464 total cpu time spent up to now is 311.7 secs Computing kpt #: 465 total cpu time spent up to now is 312.4 secs Computing kpt #: 466 total cpu time spent up to now is 313.0 secs Computing kpt #: 467 total cpu time spent up to now is 313.8 secs Computing kpt #: 468 total cpu time spent up to now is 314.5 secs Computing kpt #: 469 total cpu time spent up to now is 315.2 secs Computing kpt #: 470 total cpu time spent up to now is 316.0 secs Computing kpt #: 471 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 317.4 secs Computing kpt #: 472 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.8 secs Computing kpt #: 473 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.2 secs Computing kpt #: 474 total cpu time spent up to now is 321.4 secs Computing kpt #: 475 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.7 secs Computing kpt #: 476 total cpu time spent up to now is 323.4 secs Computing kpt #: 477 total cpu time spent up to now is 324.1 secs Computing kpt #: 478 total cpu time spent up to now is 325.0 secs Computing kpt #: 479 total cpu time spent up to now is 325.7 secs Computing kpt #: 480 total cpu time spent up to now is 326.4 secs Computing kpt #: 481 total cpu time spent up to now is 327.2 secs Computing kpt #: 482 total cpu time spent up to now is 327.6 secs Computing kpt #: 483 total cpu time spent up to now is 328.0 secs Computing kpt #: 484 total cpu time spent up to now is 328.3 secs ethr = 3.85E-11, avg # of iterations = 33.4 total cpu time spent up to now is 328.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1659 PWs) bands (ev): -44.5435 -44.5435 -44.4580 -44.4580 -21.2646 -21.2646 -20.9845 -20.9845 -20.6330 -20.6330 -20.4250 -20.4250 -20.3252 -20.3252 -20.2939 -20.2939 3.1306 3.1306 8.3643 8.3643 9.5973 9.5973 9.9646 9.9646 12.3108 12.3108 13.0114 13.0114 13.0293 13.0293 13.8491 13.8491 14.8685 14.8685 k = 0.0000 0.0093-0.0000 ( 1661 PWs) bands (ev): -44.5434 -44.5434 -44.4580 -44.4580 -21.2646 -21.2646 -20.9847 -20.9847 -20.6331 -20.6331 -20.4252 -20.4252 -20.3253 -20.3253 -20.2941 -20.2941 3.1321 3.1321 8.3629 8.3629 9.5988 9.5988 9.9654 9.9654 12.3117 12.3117 13.0112 13.0112 13.0291 13.0291 13.8495 13.8495 14.8674 14.8674 k = 0.0000 0.0185-0.0000 ( 1661 PWs) bands (ev): -44.5433 -44.5433 -44.4579 -44.4579 -21.2645 -21.2645 -20.9850 -20.9850 -20.6332 -20.6332 -20.4255 -20.4255 -20.3256 -20.3256 -20.2946 -20.2946 3.1368 3.1368 8.3586 8.3586 9.6032 9.6032 9.9679 9.9679 12.3144 12.3144 13.0100 13.0100 13.0290 13.0290 13.8508 13.8508 14.8643 14.8643 k = 0.0000 0.0278-0.0000 ( 1661 PWs) bands (ev): -44.5430 -44.5430 -44.4578 -44.4578 -21.2642 -21.2642 -20.9857 -20.9857 -20.6333 -20.6333 -20.4261 -20.4261 -20.3261 -20.3261 -20.2955 -20.2955 3.1445 3.1445 8.3515 8.3515 9.6105 9.6105 9.9721 9.9721 12.3189 12.3189 13.0071 13.0071 13.0299 13.0299 13.8530 13.8530 14.8592 14.8592 k = 0.0000 0.0370-0.0000 ( 1657 PWs) bands (ev): -44.5426 -44.5426 -44.4577 -44.4577 -21.2639 -21.2639 -20.9866 -20.9866 -20.6334 -20.6334 -20.4269 -20.4269 -20.3269 -20.3269 -20.2967 -20.2967 3.1554 3.1554 8.3417 8.3417 9.6208 9.6208 9.9779 9.9779 12.3252 12.3252 13.0016 13.0016 13.0324 13.0324 13.8560 13.8560 14.8520 14.8520 k = 0.0000 0.0463-0.0000 ( 1659 PWs) bands (ev): -44.5422 -44.5422 -44.4576 -44.4576 -21.2635 -21.2635 -20.9878 -20.9878 -20.6338 -20.6338 -20.4281 -20.4281 -20.3279 -20.3279 -20.2981 -20.2981 3.1693 3.1693 8.3291 8.3291 9.6338 9.6338 9.9853 9.9853 12.3332 12.3332 12.9934 12.9934 13.0366 13.0366 13.8600 13.8600 14.8428 14.8428 k = 0.0000 0.0556-0.0000 ( 1667 PWs) bands (ev): -44.5416 -44.5416 -44.4574 -44.4574 -21.2631 -21.2631 -20.9893 -20.9893 -20.6341 -20.6341 -20.4294 -20.4294 -20.3294 -20.3294 -20.2998 -20.2998 3.1862 3.1862 8.3139 8.3139 9.6497 9.6497 9.9944 9.9944 12.3428 12.3428 12.9826 12.9826 13.0423 13.0423 13.8649 13.8649 14.8316 14.8316 k = 0.0000 0.0648-0.0000 ( 1663 PWs) bands (ev): -44.5409 -44.5409 -44.4571 -44.4571 -21.2624 -21.2624 -20.9910 -20.9910 -20.6344 -20.6344 -20.4308 -20.4308 -20.3312 -20.3312 -20.3017 -20.3017 3.2061 3.2061 8.2961 8.2961 9.6683 9.6683 10.0050 10.0050 12.3540 12.3540 12.9694 12.9694 13.0494 13.0494 13.8708 13.8708 14.8186 14.8186 k = 0.0000 0.0741-0.0000 ( 1663 PWs) bands (ev): -44.5401 -44.5401 -44.4569 -44.4569 -21.2618 -21.2618 -20.9930 -20.9930 -20.6350 -20.6350 -20.4325 -20.4325 -20.3333 -20.3333 -20.3035 -20.3035 3.2290 3.2290 8.2760 8.2760 9.6896 9.6896 10.0172 10.0172 12.3667 12.3667 12.9538 12.9538 13.0577 13.0577 13.8777 13.8777 14.8037 14.8037 k = 0.0000 0.0833-0.0000 ( 1659 PWs) bands (ev): -44.5393 -44.5393 -44.4566 -44.4566 -21.2611 -21.2611 -20.9952 -20.9952 -20.6355 -20.6355 -20.4342 -20.4342 -20.3359 -20.3359 -20.3054 -20.3054 3.2549 3.2549 8.2535 8.2535 9.7134 9.7134 10.0309 10.0309 12.3807 12.3807 12.9356 12.9356 13.0672 13.0672 13.8857 13.8857 14.7871 14.7871 k = 0.0000 0.0926-0.0000 ( 1659 PWs) bands (ev): -44.5383 -44.5383 -44.4563 -44.4563 -21.2605 -21.2605 -20.9976 -20.9976 -20.6362 -20.6362 -20.4361 -20.4361 -20.3390 -20.3390 -20.3072 -20.3072 3.2836 3.2836 8.2288 8.2288 9.7398 9.7398 10.0461 10.0461 12.3961 12.3961 12.9151 12.9151 13.0778 13.0778 13.8950 13.8950 14.7687 14.7687 k = 0.0000 0.1019-0.0000 ( 1659 PWs) bands (ev): -44.5372 -44.5372 -44.4560 -44.4560 -21.2597 -21.2597 -21.0004 -21.0004 -20.6370 -20.6370 -20.4382 -20.4382 -20.3427 -20.3427 -20.3090 -20.3090 3.3151 3.3151 8.2021 8.2021 9.7684 9.7684 10.0628 10.0628 12.4125 12.4125 12.8920 12.8920 13.0896 13.0896 13.9054 13.9054 14.7487 14.7487 k = 0.0000 0.1111-0.0000 ( 1657 PWs) bands (ev): -44.5361 -44.5361 -44.4556 -44.4556 -21.2590 -21.2590 -21.0033 -21.0033 -20.6379 -20.6379 -20.4402 -20.4402 -20.3468 -20.3468 -20.3106 -20.3106 3.3495 3.3495 8.1736 8.1736 9.7993 9.7993 10.0808 10.0808 12.4299 12.4299 12.8666 12.8666 13.1024 13.1024 13.9173 13.9173 14.7272 14.7272 k = 0.0000 0.1204-0.0000 ( 1657 PWs) bands (ev): -44.5348 -44.5348 -44.4552 -44.4552 -21.2582 -21.2582 -21.0066 -21.0066 -20.6390 -20.6390 -20.4424 -20.4424 -20.3515 -20.3515 -20.3121 -20.3121 3.3866 3.3866 8.1432 8.1432 9.8323 9.8323 10.1002 10.1002 12.4481 12.4481 12.8387 12.8387 13.1164 13.1164 13.9306 13.9306 14.7043 14.7043 k = 0.0000 0.1296-0.0000 ( 1661 PWs) bands (ev): -44.5335 -44.5335 -44.4549 -44.4549 -21.2574 -21.2574 -21.0101 -21.0101 -20.6402 -20.6402 -20.4446 -20.4446 -20.3567 -20.3567 -20.3135 -20.3135 3.4263 3.4263 8.1113 8.1113 9.8672 9.8672 10.1209 10.1209 12.4669 12.4669 12.8085 12.8085 13.1314 13.1314 13.9454 13.9454 14.6800 14.6800 k = 0.0000 0.1389-0.0000 ( 1661 PWs) bands (ev): -44.5321 -44.5321 -44.4545 -44.4545 -21.2566 -21.2566 -21.0138 -21.0138 -20.6415 -20.6415 -20.4467 -20.4467 -20.3623 -20.3623 -20.3148 -20.3148 3.4686 3.4686 8.0780 8.0780 9.9038 9.9038 10.1429 10.1429 12.4861 12.4861 12.7762 12.7762 13.1474 13.1474 13.9620 13.9620 14.6545 14.6545 k = 0.0000 0.1481-0.0000 ( 1667 PWs) bands (ev): -44.5306 -44.5306 -44.4540 -44.4540 -21.2558 -21.2558 -21.0179 -21.0179 -20.6429 -20.6429 -20.4488 -20.4488 -20.3683 -20.3683 -20.3161 -20.3161 3.5133 3.5133 8.0434 8.0434 9.9419 9.9419 10.1662 10.1662 12.5055 12.5055 12.7418 12.7418 13.1645 13.1645 13.9804 13.9804 14.6279 14.6279 k = 0.0000 0.1574-0.0000 ( 1675 PWs) bands (ev): -44.5290 -44.5290 -44.4536 -44.4536 -21.2551 -21.2551 -21.0222 -21.0222 -20.6445 -20.6445 -20.4508 -20.4508 -20.3746 -20.3746 -20.3174 -20.3174 3.5605 3.5605 8.0077 8.0077 9.9812 9.9812 10.1907 10.1907 12.5249 12.5249 12.7054 12.7054 13.1825 13.1825 14.0007 14.0007 14.6002 14.6002 k = 0.0000 0.1667-0.0000 ( 1675 PWs) bands (ev): -44.5274 -44.5274 -44.4532 -44.4532 -21.2543 -21.2543 -21.0267 -21.0267 -20.6461 -20.6461 -20.4526 -20.4526 -20.3812 -20.3812 -20.3186 -20.3186 3.6101 3.6101 7.9711 7.9711 10.0214 10.0214 10.2166 10.2166 12.5440 12.5440 12.6673 12.6673 13.2016 13.2016 14.0232 14.0232 14.5717 14.5717 k = 0.0000 0.1759-0.0000 ( 1675 PWs) bands (ev): -44.5257 -44.5257 -44.4527 -44.4527 -21.2535 -21.2535 -21.0315 -21.0315 -20.6479 -20.6479 -20.4544 -20.4544 -20.3880 -20.3880 -20.3197 -20.3197 3.6618 3.6618 7.9337 7.9337 10.0622 10.0622 10.2439 10.2439 12.5625 12.5625 12.6278 12.6278 13.2216 13.2216 14.0479 14.0479 14.5423 14.5423 k = 0.0000 0.1852-0.0000 ( 1671 PWs) bands (ev): -44.5239 -44.5239 -44.4523 -44.4523 -21.2528 -21.2528 -21.0364 -21.0364 -20.6497 -20.6497 -20.4560 -20.4560 -20.3950 -20.3950 -20.3209 -20.3209 3.7157 3.7157 7.8956 7.8956 10.1030 10.1030 10.2728 10.2728 12.5780 12.5780 12.5891 12.5891 13.2425 13.2425 14.0750 14.0750 14.5123 14.5123 k = 0.0000 0.1944-0.0000 ( 1673 PWs) bands (ev): -44.5221 -44.5221 -44.4519 -44.4519 -21.2521 -21.2521 -21.0416 -21.0416 -20.6517 -20.6517 -20.4575 -20.4575 -20.4022 -20.4022 -20.3221 -20.3221 3.7716 3.7716 7.8571 7.8571 10.1432 10.1432 10.3036 10.3036 12.5437 12.5437 12.5981 12.5981 13.2644 13.2644 14.1047 14.1047 14.4816 14.4816 k = 0.0000 0.2037-0.0000 ( 1669 PWs) bands (ev): -44.5202 -44.5202 -44.4514 -44.4514 -21.2514 -21.2514 -21.0471 -21.0471 -20.6536 -20.6536 -20.4587 -20.4587 -20.4094 -20.4094 -20.3233 -20.3233 3.8294 3.8294 7.8182 7.8182 10.1821 10.1821 10.3367 10.3367 12.5008 12.5008 12.6136 12.6136 13.2871 13.2871 14.1370 14.1370 14.4506 14.4506 k = 0.0000 0.2130-0.0000 ( 1661 PWs) bands (ev): -44.5183 -44.5183 -44.4510 -44.4510 -21.2509 -21.2509 -21.0525 -21.0525 -20.6556 -20.6556 -20.4599 -20.4599 -20.4167 -20.4167 -20.3244 -20.3244 3.8890 3.8890 7.7791 7.7791 10.2190 10.2190 10.3725 10.3725 12.4569 12.4569 12.6279 12.6279 13.3107 13.3107 14.1720 14.1720 14.4192 14.4192 k = 0.0000 0.2222-0.0000 ( 1663 PWs) bands (ev): -44.5163 -44.5163 -44.4506 -44.4506 -21.2504 -21.2504 -21.0584 -21.0584 -20.6577 -20.6577 -20.4610 -20.4610 -20.4240 -20.4240 -20.3256 -20.3256 3.9503 3.9503 7.7399 7.7399 10.2533 10.2533 10.4113 10.4113 12.4125 12.4125 12.6405 12.6405 13.3351 13.3351 14.2099 14.2099 14.3875 14.3875 k = 0.0000 0.2315-0.0000 ( 1661 PWs) bands (ev): -44.5143 -44.5143 -44.4502 -44.4502 -21.2500 -21.2500 -21.0644 -21.0644 -20.6597 -20.6597 -20.4620 -20.4620 -20.4313 -20.4313 -20.3269 -20.3269 4.0130 4.0130 7.7009 7.7009 10.2845 10.2845 10.4531 10.4531 12.3678 12.3678 12.6515 12.6515 13.3603 13.3603 14.2505 14.2505 14.3559 14.3559 k = 0.0000 0.2407-0.0000 ( 1659 PWs) bands (ev): -44.5122 -44.5122 -44.4498 -44.4498 -21.2497 -21.2497 -21.0705 -21.0705 -20.6617 -20.6617 -20.4632 -20.4632 -20.4382 -20.4382 -20.3282 -20.3282 4.0771 4.0771 7.6620 7.6620 10.3125 10.3125 10.4977 10.4977 12.3228 12.3228 12.6605 12.6605 13.3863 13.3863 14.2930 14.2930 14.3254 14.3254 k = 0.0000 0.2500-0.0000 ( 1659 PWs) bands (ev): -44.5102 -44.5102 -44.4494 -44.4494 -21.2495 -21.2495 -21.0768 -21.0768 -20.6637 -20.6637 -20.4649 -20.4649 -20.4444 -20.4444 -20.3295 -20.3295 4.1425 4.1425 7.6234 7.6234 10.3373 10.3373 10.5448 10.5448 12.2780 12.2780 12.6674 12.6674 13.4130 13.4130 14.2906 14.2906 14.3428 14.3428 k = 0.0000 0.2593-0.0000 ( 1659 PWs) bands (ev): -44.5081 -44.5081 -44.4491 -44.4491 -21.2494 -21.2494 -21.0832 -21.0832 -20.6656 -20.6656 -20.4677 -20.4677 -20.4494 -20.4494 -20.3308 -20.3308 4.2088 4.2088 7.5852 7.5852 10.3592 10.3592 10.5939 10.5939 12.2334 12.2334 12.6722 12.6722 13.4404 13.4404 14.2597 14.2597 14.3919 14.3919 k = 0.0000 0.2685-0.0000 ( 1659 PWs) bands (ev): -44.5059 -44.5059 -44.4488 -44.4488 -21.2494 -21.2494 -21.0897 -21.0897 -20.6675 -20.6675 -20.4720 -20.4720 -20.4526 -20.4526 -20.3322 -20.3322 4.2761 4.2761 7.5476 7.5476 10.3781 10.3781 10.6445 10.6445 12.1892 12.1892 12.6748 12.6748 13.4685 13.4685 14.2285 14.2285 14.4444 14.4444 k = 0.0000 0.2778-0.0000 ( 1665 PWs) bands (ev): -44.5038 -44.5038 -44.4485 -44.4485 -21.2495 -21.2495 -21.0962 -21.0962 -20.6692 -20.6692 -20.4777 -20.4777 -20.4543 -20.4543 -20.3336 -20.3336 4.3440 4.3440 7.5107 7.5107 10.3942 10.3942 10.6965 10.6965 12.1455 12.1455 12.6752 12.6752 13.4971 13.4971 14.1977 14.1977 14.4626 14.4626 k = 0.0000 0.2870-0.0000 ( 1667 PWs) bands (ev): -44.5016 -44.5016 -44.4483 -44.4483 -21.2498 -21.2498 -21.1028 -21.1028 -20.6707 -20.6707 -20.4843 -20.4843 -20.4548 -20.4548 -20.3351 -20.3351 4.4125 4.4125 7.4745 7.4745 10.4074 10.4074 10.7494 10.7494 12.1027 12.1027 12.6733 12.6733 13.5264 13.5264 14.1672 14.1672 14.4219 14.4219 k = 0.0000 0.2963-0.0000 ( 1663 PWs) bands (ev): -44.4995 -44.4995 -44.4481 -44.4481 -21.2500 -21.2500 -21.1094 -21.1094 -20.6720 -20.6720 -20.4912 -20.4912 -20.4547 -20.4547 -20.3365 -20.3365 4.4812 4.4812 7.4392 7.4392 10.4177 10.4177 10.8030 10.8030 12.0607 12.0607 12.6691 12.6691 13.5562 13.5562 14.1374 14.1374 14.3822 14.3822 k = 0.0000 0.3056-0.0000 ( 1667 PWs) bands (ev): -44.4973 -44.4973 -44.4479 -44.4479 -21.2505 -21.2505 -21.1160 -21.1160 -20.6733 -20.6733 -20.4984 -20.4984 -20.4542 -20.4542 -20.3380 -20.3380 4.5501 4.5501 7.4048 7.4048 10.4250 10.4250 10.8573 10.8573 12.0197 12.0197 12.6626 12.6626 13.5865 13.5865 14.1081 14.1081 14.3437 14.3437 k = 0.0000 0.3148-0.0000 ( 1667 PWs) bands (ev): -44.4952 -44.4952 -44.4478 -44.4478 -21.2510 -21.2510 -21.1225 -21.1225 -20.6742 -20.6742 -20.5055 -20.5055 -20.4534 -20.4534 -20.3395 -20.3395 4.6187 4.6187 7.3714 7.3714 10.4295 10.4295 10.9120 10.9120 11.9798 11.9798 12.6540 12.6540 13.6173 13.6173 14.0796 14.0796 14.3065 14.3065 k = 0.0000 0.3241-0.0000 ( 1674 PWs) bands (ev): -44.4930 -44.4930 -44.4477 -44.4477 -21.2516 -21.2516 -21.1290 -21.1290 -20.6750 -20.6750 -20.5127 -20.5127 -20.4525 -20.4525 -20.3412 -20.3412 4.6870 4.6870 7.3392 7.3392 10.4311 10.4311 10.9671 10.9671 11.9413 11.9413 12.6431 12.6431 13.6484 13.6484 14.0520 14.0520 14.2707 14.2707 k = 0.0000 0.3333-0.0000 ( 1674 PWs) bands (ev): -44.4909 -44.4909 -44.4477 -44.4477 -21.2523 -21.2523 -21.1354 -21.1354 -20.6755 -20.6755 -20.5198 -20.5198 -20.4513 -20.4513 -20.3427 -20.3427 4.7546 4.7546 7.3081 7.3081 10.4299 10.4299 11.0223 11.0223 11.9041 11.9041 12.6301 12.6301 13.6798 13.6798 14.0252 14.0252 14.2363 14.2363 k = 0.0000 0.3426-0.0000 ( 1674 PWs) bands (ev): -44.4888 -44.4888 -44.4477 -44.4477 -21.2530 -21.2530 -21.1417 -21.1417 -20.6757 -20.6757 -20.5268 -20.5268 -20.4500 -20.4500 -20.3443 -20.3443 4.8213 4.8213 7.2783 7.2783 10.4260 10.4260 11.0777 11.0777 11.8684 11.8684 12.6149 12.6149 13.7115 13.7115 13.9994 13.9994 14.2035 14.2035 k = 0.0000 0.3519-0.0000 ( 1674 PWs) bands (ev): -44.4867 -44.4867 -44.4478 -44.4478 -21.2538 -21.2538 -21.1478 -21.1478 -20.6757 -20.6757 -20.5336 -20.5336 -20.4486 -20.4486 -20.3459 -20.3459 4.8868 4.8868 7.2499 7.2499 10.4195 10.4195 11.1331 11.1331 11.8342 11.8342 12.5978 12.5978 13.7434 13.7434 13.9747 13.9747 14.1722 14.1722 k = 0.0000 0.3611-0.0000 ( 1670 PWs) bands (ev): -44.4846 -44.4846 -44.4480 -44.4480 -21.2546 -21.2546 -21.1537 -21.1537 -20.6753 -20.6753 -20.5404 -20.5404 -20.4471 -20.4471 -20.3475 -20.3475 4.9508 4.9508 7.2229 7.2229 10.4107 10.4107 11.1883 11.1883 11.8018 11.8018 12.5787 12.5787 13.7754 13.7754 13.9511 13.9511 14.1426 14.1426 k = 0.0000 0.3704-0.0000 ( 1678 PWs) bands (ev): -44.4826 -44.4826 -44.4482 -44.4482 -21.2555 -21.2555 -21.1594 -21.1594 -20.6749 -20.6749 -20.5470 -20.5470 -20.4457 -20.4457 -20.3490 -20.3490 5.0129 5.0129 7.1973 7.1973 10.3997 10.3997 11.2434 11.2434 11.7710 11.7710 12.5576 12.5576 13.8074 13.8074 13.9288 13.9288 14.1147 14.1147 k = 0.0000 0.3796-0.0000 ( 1674 PWs) bands (ev): -44.4806 -44.4806 -44.4485 -44.4485 -21.2563 -21.2563 -21.1648 -21.1648 -20.6740 -20.6740 -20.5534 -20.5534 -20.4441 -20.4441 -20.3506 -20.3506 5.0729 5.0729 7.1733 7.1733 10.3869 10.3869 11.2982 11.2982 11.7421 11.7421 12.5348 12.5348 13.8391 13.8391 13.9080 13.9080 14.0886 14.0886 k = 0.0000 0.3889-0.0000 ( 1670 PWs) bands (ev): -44.4786 -44.4786 -44.4488 -44.4488 -21.2572 -21.2572 -21.1699 -21.1699 -20.6730 -20.6730 -20.5596 -20.5596 -20.4425 -20.4425 -20.3521 -20.3521 5.1304 5.1304 7.1508 7.1508 10.3727 10.3727 11.3524 11.3524 11.7151 11.7151 12.5103 12.5103 13.8689 13.8689 13.8901 13.8901 14.0642 14.0642 k = 0.0000 0.3981-0.0000 ( 1670 PWs) bands (ev): -44.4767 -44.4767 -44.4492 -44.4492 -21.2580 -21.2580 -21.1748 -21.1748 -20.6717 -20.6717 -20.5656 -20.5656 -20.4410 -20.4410 -20.3536 -20.3536 5.1851 5.1851 7.1300 7.1300 10.3574 10.3574 11.4061 11.4061 11.6901 11.6901 12.4841 12.4841 13.8674 13.8674 13.9045 13.9045 14.0418 14.0418 k = 0.0000 0.4074-0.0000 ( 1670 PWs) bands (ev): -44.4748 -44.4748 -44.4496 -44.4496 -21.2588 -21.2588 -21.1793 -21.1793 -20.6702 -20.6702 -20.5715 -20.5715 -20.4395 -20.4395 -20.3551 -20.3551 5.2366 5.2366 7.1108 7.1108 10.3415 10.3415 11.4590 11.4590 11.6670 11.6670 12.4565 12.4565 13.8511 13.8511 13.9345 13.9345 14.0213 14.0213 k = 0.0000 0.4167-0.0000 ( 1666 PWs) bands (ev): -44.4730 -44.4730 -44.4502 -44.4502 -21.2596 -21.2596 -21.1835 -21.1835 -20.6685 -20.6685 -20.5770 -20.5770 -20.4380 -20.4380 -20.3565 -20.3565 5.2845 5.2845 7.0933 7.0933 10.3253 10.3253 11.5109 11.5109 11.6460 11.6460 12.4276 12.4276 13.8357 13.8357 13.9638 13.9638 14.0034 14.0034 k = 0.0000 0.4259-0.0000 ( 1666 PWs) bands (ev): -44.4712 -44.4712 -44.4508 -44.4508 -21.2603 -21.2603 -21.1873 -21.1873 -20.6667 -20.6667 -20.5824 -20.5824 -20.4365 -20.4365 -20.3578 -20.3578 5.3286 5.3286 7.0776 7.0776 10.3092 10.3092 11.5615 11.5615 11.6271 11.6271 12.3976 12.3976 13.8217 13.8217 13.9808 13.9808 13.9988 13.9988 k = 0.0000 0.4352-0.0000 ( 1666 PWs) bands (ev): -44.4695 -44.4695 -44.4514 -44.4514 -21.2609 -21.2609 -21.1907 -21.1907 -20.6647 -20.6647 -20.5875 -20.5875 -20.4352 -20.4352 -20.3590 -20.3590 5.3684 5.3684 7.0636 7.0636 10.2939 10.2939 11.6084 11.6084 11.6125 11.6125 12.3669 12.3669 13.8092 13.8092 13.9689 13.9689 14.0238 14.0238 k = 0.0000 0.4444-0.0000 ( 1668 PWs) bands (ev): -44.4679 -44.4679 -44.4521 -44.4521 -21.2615 -21.2615 -21.1938 -21.1938 -20.6627 -20.6627 -20.5922 -20.5922 -20.4340 -20.4340 -20.3601 -20.3601 5.4037 5.4037 7.0515 7.0515 10.2795 10.2795 11.5956 11.5956 11.6576 11.6576 12.3360 12.3360 13.7983 13.7983 13.9563 13.9563 14.0498 14.0498 k = 0.0000 0.4537-0.0000 ( 1668 PWs) bands (ev): -44.4664 -44.4664 -44.4529 -44.4529 -21.2620 -21.2620 -21.1964 -21.1964 -20.6606 -20.6606 -20.5965 -20.5965 -20.4330 -20.4330 -20.3611 -20.3611 5.4341 5.4341 7.0411 7.0411 10.2666 10.2666 11.5832 11.5832 11.7018 11.7018 12.3053 12.3053 13.7890 13.7890 13.9455 13.9455 14.0739 14.0739 k = 0.0000 0.4630-0.0000 ( 1672 PWs) bands (ev): -44.4650 -44.4650 -44.4537 -44.4537 -21.2625 -21.2625 -21.1986 -21.1986 -20.6587 -20.6587 -20.6003 -20.6003 -20.4321 -20.4321 -20.3621 -20.3621 5.4594 5.4594 7.0327 7.0327 10.2556 10.2556 11.5730 11.5730 11.7422 11.7422 12.2760 12.2760 13.7814 13.7814 13.9365 13.9365 14.0953 14.0953 k = 0.0000 0.4722-0.0000 ( 1674 PWs) bands (ev): -44.4637 -44.4637 -44.4545 -44.4545 -21.2628 -21.2628 -21.2003 -21.2003 -20.6570 -20.6570 -20.6035 -20.6035 -20.4314 -20.4314 -20.3628 -20.3628 5.4794 5.4794 7.0260 7.0260 10.2466 10.2466 11.5651 11.5651 11.7775 11.7775 12.2494 12.2494 13.7754 13.7754 13.9295 13.9295 14.1133 14.1133 k = 0.0000 0.4815-0.0000 ( 1678 PWs) bands (ev): -44.4626 -44.4626 -44.4552 -44.4552 -21.2631 -21.2631 -21.2015 -21.2015 -20.6555 -20.6555 -20.6060 -20.6060 -20.4308 -20.4308 -20.3633 -20.3633 5.4938 5.4938 7.0213 7.0213 10.2400 10.2400 11.5594 11.5594 11.8057 11.8057 12.2274 12.2274 13.7711 13.7711 13.9245 13.9245 14.1269 14.1269 k = 0.0000 0.4907-0.0000 ( 1682 PWs) bands (ev): -44.4618 -44.4618 -44.4558 -44.4558 -21.2632 -21.2632 -21.2023 -21.2023 -20.6546 -20.6546 -20.6076 -20.6076 -20.4305 -20.4305 -20.3637 -20.3637 5.5025 5.5025 7.0184 7.0184 10.2360 10.2360 11.5560 11.5560 11.8242 11.8242 12.2126 12.2126 13.7686 13.7686 13.9215 13.9215 14.1355 14.1355 k = 0.0000 0.5000-0.0000 ( 1684 PWs) bands (ev): -44.4615 -44.4615 -44.4561 -44.4561 -21.2633 -21.2633 -21.2025 -21.2025 -20.6543 -20.6543 -20.6082 -20.6082 -20.4305 -20.4305 -20.3638 -20.3638 5.5054 5.5054 7.0175 7.0175 10.2346 10.2346 11.5549 11.5549 11.8307 11.8307 12.2073 12.2073 13.7677 13.7677 13.9205 13.9205 14.1384 14.1384 k = 0.0000 0.5000-0.0000 ( 1684 PWs) bands (ev): -44.4615 -44.4615 -44.4561 -44.4561 -21.2633 -21.2633 -21.2025 -21.2025 -20.6543 -20.6543 -20.6082 -20.6082 -20.4305 -20.4305 -20.3638 -20.3638 5.5054 5.5054 7.0175 7.0175 10.2346 10.2346 11.5549 11.5549 11.8307 11.8307 12.2073 12.2073 13.7677 13.7677 13.9205 13.9205 14.1384 14.1384 k = 0.0093 0.5000-0.0000 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2632 -21.2632 -21.2025 -21.2025 -20.6542 -20.6542 -20.6081 -20.6081 -20.4305 -20.4305 -20.3638 -20.3638 5.5069 5.5069 7.0167 7.0167 10.2352 10.2352 11.5543 11.5543 11.8304 11.8304 12.2074 12.2074 13.7676 13.7676 13.9219 13.9219 14.1389 14.1389 k = 0.0185 0.5000-0.0000 ( 1672 PWs) bands (ev): -44.4613 -44.4613 -44.4559 -44.4559 -21.2633 -21.2633 -21.2026 -21.2026 -20.6542 -20.6542 -20.6080 -20.6080 -20.4312 -20.4312 -20.3644 -20.3644 5.5114 5.5114 7.0141 7.0141 10.2368 10.2368 11.5525 11.5525 11.8295 11.8295 12.2076 12.2076 13.7672 13.7672 13.9261 13.9261 14.1404 14.1404 k = 0.0278 0.5000-0.0000 ( 1668 PWs) bands (ev): -44.4611 -44.4611 -44.4558 -44.4558 -21.2634 -21.2634 -21.2027 -21.2027 -20.6542 -20.6542 -20.6079 -20.6079 -20.4323 -20.4323 -20.3654 -20.3654 5.5189 5.5189 7.0098 7.0098 10.2394 10.2394 11.5496 11.5496 11.8279 11.8279 12.2081 12.2081 13.7666 13.7666 13.9331 13.9331 14.1430 14.1430 k = 0.0370 0.5000-0.0000 ( 1668 PWs) bands (ev): -44.4609 -44.4609 -44.4555 -44.4555 -21.2636 -21.2636 -21.2030 -21.2030 -20.6542 -20.6542 -20.6077 -20.6077 -20.4338 -20.4338 -20.3668 -20.3668 5.5295 5.5295 7.0038 7.0038 10.2430 10.2430 11.5455 11.5455 11.8255 11.8255 12.2090 12.2090 13.7659 13.7659 13.9427 13.9427 14.1465 14.1465 k = 0.0463 0.5000-0.0000 ( 1664 PWs) bands (ev): -44.4605 -44.4605 -44.4553 -44.4553 -21.2638 -21.2638 -21.2032 -21.2032 -20.6542 -20.6542 -20.6074 -20.6074 -20.4357 -20.4357 -20.3686 -20.3686 5.5430 5.5430 6.9961 6.9961 10.2473 10.2473 11.5403 11.5403 11.8223 11.8223 12.2105 12.2105 13.7653 13.7653 13.9550 13.9550 14.1510 14.1510 k = 0.0556 0.5000-0.0000 ( 1664 PWs) bands (ev): -44.4601 -44.4601 -44.4549 -44.4549 -21.2641 -21.2641 -21.2036 -21.2036 -20.6542 -20.6542 -20.6071 -20.6071 -20.4381 -20.4381 -20.3707 -20.3707 5.5594 5.5594 6.9868 6.9868 10.2523 10.2523 11.5339 11.5339 11.8180 11.8180 12.2128 12.2128 13.7649 13.7649 13.9698 13.9698 14.1566 14.1566 k = 0.0648 0.5000-0.0000 ( 1664 PWs) bands (ev): -44.4597 -44.4597 -44.4545 -44.4545 -21.2645 -21.2645 -21.2040 -21.2040 -20.6543 -20.6543 -20.6068 -20.6068 -20.4409 -20.4409 -20.3732 -20.3732 5.5788 5.5788 6.9760 6.9760 10.2578 10.2578 11.5264 11.5264 11.8127 11.8127 12.2162 12.2162 13.7650 13.7650 13.9870 13.9870 14.1631 14.1631 k = 0.0741 0.5000-0.0000 ( 1664 PWs) bands (ev): -44.4591 -44.4591 -44.4540 -44.4540 -21.2649 -21.2649 -21.2045 -21.2045 -20.6543 -20.6543 -20.6065 -20.6065 -20.4440 -20.4440 -20.3761 -20.3761 5.6010 5.6010 6.9635 6.9635 10.2635 10.2635 11.5178 11.5178 11.8060 11.8060 12.2211 12.2211 13.7658 13.7658 14.0064 14.0064 14.1707 14.1707 k = 0.0833 0.5000-0.0000 ( 1660 PWs) bands (ev): -44.4585 -44.4585 -44.4535 -44.4535 -21.2653 -21.2653 -21.2051 -21.2051 -20.6543 -20.6543 -20.6061 -20.6061 -20.4474 -20.4474 -20.3793 -20.3793 5.6261 5.6261 6.9496 6.9496 10.2693 10.2693 11.5082 11.5082 11.7977 11.7977 12.2279 12.2279 13.7676 13.7676 14.0280 14.0280 14.1792 14.1792 k = 0.0926 0.5000-0.0000 ( 1660 PWs) bands (ev): -44.4579 -44.4579 -44.4529 -44.4529 -21.2659 -21.2659 -21.2057 -21.2057 -20.6544 -20.6544 -20.6057 -20.6057 -20.4512 -20.4512 -20.3828 -20.3828 5.6540 5.6540 6.9342 6.9342 10.2749 10.2749 11.4975 11.4975 11.7877 11.7877 12.2368 12.2368 13.7707 13.7707 14.0516 14.0516 14.1888 14.1888 k = 0.1019 0.5000-0.0000 ( 1664 PWs) bands (ev): -44.4572 -44.4572 -44.4523 -44.4523 -21.2665 -21.2665 -21.2065 -21.2065 -20.6546 -20.6546 -20.6053 -20.6053 -20.4553 -20.4553 -20.3866 -20.3866 5.6847 5.6847 6.9175 6.9175 10.2799 10.2799 11.4858 11.4858 11.7758 11.7758 12.2483 12.2483 13.7754 13.7754 14.0770 14.0770 14.1994 14.1994 k = 0.1111 0.5000-0.0000 ( 1650 PWs) bands (ev): -44.4564 -44.4564 -44.4516 -44.4516 -21.2671 -21.2671 -21.2072 -21.2072 -20.6547 -20.6547 -20.6049 -20.6049 -20.4596 -20.4596 -20.3906 -20.3906 5.7181 5.7181 6.8995 6.8995 10.2843 10.2843 11.4731 11.4731 11.7617 11.7617 12.2627 12.2627 13.7820 13.7820 14.1042 14.1042 14.2110 14.2110 k = 0.1204 0.5000-0.0000 ( 1650 PWs) bands (ev): -44.4555 -44.4555 -44.4508 -44.4508 -21.2679 -21.2679 -21.2081 -21.2081 -20.6549 -20.6549 -20.6045 -20.6045 -20.4641 -20.4641 -20.3949 -20.3949 5.7541 5.7541 6.8802 6.8802 10.2877 10.2877 11.4595 11.4595 11.7453 11.7453 12.2805 12.2805 13.7907 13.7907 14.1328 14.1328 14.2236 14.2236 k = 0.1296 0.5000-0.0000 ( 1650 PWs) bands (ev): -44.4546 -44.4546 -44.4501 -44.4501 -21.2687 -21.2687 -21.2090 -21.2090 -20.6552 -20.6552 -20.6042 -20.6042 -20.4688 -20.4688 -20.3994 -20.3994 5.7927 5.7927 6.8598 6.8598 10.2898 10.2898 11.4450 11.4450 11.7262 11.7262 12.3019 12.3019 13.8019 13.8019 14.1629 14.1629 14.2372 14.2372 k = 0.1389 0.5000-0.0000 ( 1648 PWs) bands (ev): -44.4537 -44.4537 -44.4492 -44.4492 -21.2696 -21.2696 -21.2101 -21.2101 -20.6555 -20.6555 -20.6039 -20.6039 -20.4737 -20.4737 -20.4040 -20.4040 5.8338 5.8338 6.8382 6.8382 10.2905 10.2905 11.4296 11.4296 11.7045 11.7045 12.3273 12.3273 13.8158 13.8158 14.1943 14.1943 14.2518 14.2518 k = 0.1481 0.5000-0.0000 ( 1652 PWs) bands (ev): -44.4527 -44.4527 -44.4484 -44.4484 -21.2707 -21.2707 -21.2113 -21.2113 -20.6560 -20.6560 -20.6037 -20.6037 -20.4787 -20.4787 -20.4089 -20.4089 5.8773 5.8773 6.8157 6.8157 10.2896 10.2896 11.4135 11.4135 11.6799 11.6799 12.3570 12.3570 13.8326 13.8326 14.2267 14.2267 14.2674 14.2674 k = 0.1574 0.5000-0.0000 ( 1652 PWs) bands (ev): -44.4517 -44.4517 -44.4475 -44.4475 -21.2718 -21.2718 -21.2125 -21.2125 -20.6565 -20.6565 -20.6035 -20.6035 -20.4837 -20.4837 -20.4139 -20.4139 5.9232 5.9232 6.7923 6.7923 10.2870 10.2870 11.3966 11.3966 11.6524 11.6524 12.3911 12.3911 13.8524 13.8524 14.2597 14.2597 14.2844 14.2844 k = 0.1667 0.5000-0.0000 ( 1660 PWs) bands (ev): -44.4506 -44.4506 -44.4465 -44.4465 -21.2731 -21.2731 -21.2139 -21.2139 -20.6571 -20.6571 -20.6036 -20.6036 -20.4887 -20.4887 -20.4190 -20.4190 5.9714 5.9714 6.7681 6.7681 10.2825 10.2825 11.3790 11.3790 11.6219 11.6219 12.4298 12.4298 13.8755 13.8755 14.2917 14.2917 14.3042 14.3042 k = 0.1759 0.5000-0.0000 ( 1664 PWs) bands (ev): -44.4495 -44.4495 -44.4456 -44.4456 -21.2744 -21.2744 -21.2154 -21.2154 -20.6579 -20.6579 -20.6038 -20.6038 -20.4937 -20.4937 -20.4241 -20.4241 6.0218 6.0218 6.7432 6.7432 10.2762 10.2762 11.3608 11.3608 11.5883 11.5883 12.4732 12.4732 13.9019 13.9019 14.3159 14.3159 14.3335 14.3335 k = 0.1852 0.5000-0.0000 ( 1668 PWs) bands (ev): -44.4483 -44.4483 -44.4446 -44.4446 -21.2759 -21.2759 -21.2169 -21.2169 -20.6587 -20.6587 -20.6041 -20.6041 -20.4985 -20.4985 -20.4293 -20.4293 6.0743 6.0743 6.7177 6.7177 10.2679 10.2679 11.3421 11.3421 11.5517 11.5517 12.5213 12.5213 13.9316 13.9316 14.3359 14.3359 14.3684 14.3684 k = 0.1944 0.5000-0.0000 ( 1668 PWs) bands (ev): -44.4472 -44.4472 -44.4435 -44.4435 -21.2774 -21.2774 -21.2185 -21.2185 -20.6596 -20.6596 -20.6045 -20.6045 -20.5032 -20.5032 -20.4344 -20.4344 6.1289 6.1289 6.6916 6.6916 10.2578 10.2578 11.3228 11.3228 11.5120 11.5120 12.5743 12.5743 13.9646 13.9646 14.3560 14.3560 14.4047 14.4047 k = 0.2037 0.5000-0.0000 ( 1670 PWs) bands (ev): -44.4460 -44.4460 -44.4425 -44.4425 -21.2791 -21.2791 -21.2202 -21.2202 -20.6607 -20.6607 -20.6053 -20.6053 -20.5076 -20.5076 -20.4395 -20.4395 6.1853 6.1853 6.6651 6.6651 10.2458 10.2458 11.3032 11.3032 11.4695 11.4695 12.6319 12.6319 14.0010 14.0010 14.3766 14.3766 14.4417 14.4417 k = 0.2130 0.5000-0.0000 ( 1670 PWs) bands (ev): -44.4447 -44.4447 -44.4414 -44.4414 -21.2808 -21.2808 -21.2220 -21.2220 -20.6619 -20.6619 -20.6062 -20.6062 -20.5118 -20.5118 -20.4445 -20.4445 6.2436 6.2436 6.6382 6.6382 10.2322 10.2322 11.2831 11.2831 11.4241 11.4241 12.6941 12.6941 14.0405 14.0405 14.3979 14.3979 14.4791 14.4791 k = 0.2222 0.5000-0.0000 ( 1662 PWs) bands (ev): -44.4435 -44.4435 -44.4403 -44.4403 -21.2827 -21.2827 -21.2237 -21.2237 -20.6632 -20.6632 -20.6074 -20.6074 -20.5156 -20.5156 -20.4493 -20.4493 6.3037 6.3037 6.6112 6.6112 10.2171 10.2171 11.2628 11.2628 11.3761 11.3761 12.7607 12.7607 14.0831 14.0831 14.4197 14.4197 14.5168 14.5168 k = 0.2315 0.5000-0.0000 ( 1662 PWs) bands (ev): -44.4422 -44.4422 -44.4392 -44.4392 -21.2846 -21.2846 -21.2257 -21.2257 -20.6647 -20.6647 -20.6089 -20.6089 -20.5191 -20.5191 -20.4540 -20.4540 6.3654 6.3654 6.5840 6.5840 10.2005 10.2005 11.2423 11.2423 11.3255 11.3255 12.8316 12.8316 14.1286 14.1286 14.4421 14.4421 14.5547 14.5547 k = 0.2407 0.5000-0.0000 ( 1670 PWs) bands (ev): -44.4410 -44.4410 -44.4381 -44.4381 -21.2868 -21.2868 -21.2277 -21.2277 -20.6664 -20.6664 -20.6108 -20.6108 -20.5222 -20.5222 -20.4586 -20.4586 6.4285 6.4285 6.5567 6.5567 10.1827 10.1827 11.2216 11.2216 11.2725 11.2725 12.9066 12.9066 14.1768 14.1768 14.4650 14.4650 14.5926 14.5926 k = 0.2500 0.5000-0.0000 ( 1662 PWs) bands (ev): -44.4397 -44.4397 -44.4370 -44.4370 -21.2889 -21.2889 -21.2297 -21.2297 -20.6681 -20.6681 -20.6128 -20.6128 -20.5249 -20.5249 -20.4630 -20.4630 6.4928 6.4928 6.5299 6.5299 10.1639 10.1639 11.2008 11.2008 11.2172 11.2172 12.9854 12.9854 14.2274 14.2274 14.4884 14.4884 14.6305 14.6305 k = 0.2593 0.5000-0.0000 ( 1660 PWs) bands (ev): -44.4384 -44.4384 -44.4359 -44.4359 -21.2912 -21.2912 -21.2318 -21.2318 -20.6700 -20.6700 -20.6151 -20.6151 -20.5273 -20.5273 -20.4671 -20.4671 6.5018 6.5018 6.5598 6.5598 10.1441 10.1441 11.1599 11.1599 11.1801 11.1801 13.0679 13.0679 14.2804 14.2804 14.5122 14.5122 14.6683 14.6683 k = 0.2685 0.5000-0.0000 ( 1660 PWs) bands (ev): -44.4372 -44.4372 -44.4348 -44.4348 -21.2936 -21.2936 -21.2339 -21.2339 -20.6720 -20.6720 -20.6177 -20.6177 -20.5293 -20.5293 -20.4710 -20.4710 6.4751 6.4751 6.6267 6.6267 10.1236 10.1236 11.1008 11.1008 11.1594 11.1594 13.1537 13.1537 14.3352 14.3352 14.5363 14.5363 14.7058 14.7058 k = 0.2778 0.5000-0.0000 ( 1656 PWs) bands (ev): -44.4359 -44.4359 -44.4337 -44.4337 -21.2961 -21.2961 -21.2361 -21.2361 -20.6742 -20.6742 -20.6206 -20.6206 -20.5308 -20.5308 -20.4746 -20.4746 6.4486 6.4486 6.6948 6.6948 10.1026 10.1026 11.0399 11.0399 11.1389 11.1389 13.2425 13.2425 14.3917 14.3917 14.5606 14.5606 14.7429 14.7429 k = 0.2870 0.5000-0.0000 ( 1652 PWs) bands (ev): -44.4347 -44.4347 -44.4326 -44.4326 -21.2987 -21.2987 -21.2382 -21.2382 -20.6764 -20.6764 -20.6236 -20.6236 -20.5321 -20.5321 -20.4780 -20.4780 6.4224 6.4224 6.7640 6.7640 10.0813 10.0813 10.9775 10.9775 11.1186 11.1186 13.3342 13.3342 14.4495 14.4495 14.5851 14.5851 14.7796 14.7796 k = 0.2963 0.5000-0.0000 ( 1652 PWs) bands (ev): -44.4334 -44.4334 -44.4315 -44.4315 -21.3014 -21.3014 -21.2405 -21.2405 -20.6787 -20.6787 -20.6267 -20.6267 -20.5332 -20.5332 -20.4811 -20.4811 6.3967 6.3967 6.8340 6.8340 10.0597 10.0597 10.9138 10.9138 11.0985 11.0985 13.4284 13.4284 14.5081 14.5081 14.6098 14.6098 14.8158 14.8158 k = 0.3056 0.5000-0.0000 ( 1650 PWs) bands (ev): -44.4322 -44.4322 -44.4304 -44.4304 -21.3041 -21.3041 -21.2427 -21.2427 -20.6811 -20.6811 -20.6299 -20.6299 -20.5340 -20.5340 -20.4839 -20.4839 6.3715 6.3715 6.9046 6.9046 10.0381 10.0381 10.8490 10.8490 11.0789 11.0789 13.5248 13.5248 14.5670 14.5670 14.6348 14.6348 14.8513 14.8513 k = 0.3148 0.5000-0.0000 ( 1650 PWs) bands (ev): -44.4311 -44.4311 -44.4294 -44.4294 -21.3069 -21.3069 -21.2449 -21.2449 -20.6835 -20.6835 -20.6333 -20.6333 -20.5346 -20.5346 -20.4865 -20.4865 6.3469 6.3469 6.9757 6.9757 10.0166 10.0166 10.7833 10.7833 11.0596 11.0596 13.6232 13.6232 14.6248 14.6248 14.6611 14.6611 14.8860 14.8860 k = 0.3241 0.5000-0.0000 ( 1654 PWs) bands (ev): -44.4299 -44.4299 -44.4284 -44.4284 -21.3098 -21.3098 -21.2471 -21.2471 -20.6860 -20.6860 -20.6366 -20.6366 -20.5351 -20.5351 -20.4888 -20.4888 6.3231 6.3231 7.0471 7.0471 9.9954 9.9954 10.7168 10.7168 11.0409 11.0409 13.7233 13.7233 14.6725 14.6725 14.6969 14.6969 14.9198 14.9198 k = 0.3333 0.5000-0.0000 ( 1654 PWs) bands (ev): -44.4288 -44.4288 -44.4274 -44.4274 -21.3126 -21.3126 -21.2493 -21.2493 -20.6885 -20.6885 -20.6399 -20.6399 -20.5354 -20.5354 -20.4909 -20.4909 6.3000 6.3000 7.1188 7.1188 9.9745 9.9745 10.6498 10.6498 11.0227 11.0227 13.8247 13.8247 14.7014 14.7014 14.7505 14.7505 14.9527 14.9527 k = 0.3426 0.5000-0.0000 ( 1658 PWs) bands (ev): -44.4277 -44.4277 -44.4265 -44.4265 -21.3155 -21.3155 -21.2515 -21.2515 -20.6910 -20.6910 -20.6432 -20.6432 -20.5356 -20.5356 -20.4927 -20.4927 6.2778 6.2778 7.1904 7.1904 9.9541 9.9541 10.5825 10.5825 11.0051 11.0051 13.9272 13.9272 14.7257 14.7257 14.8071 14.8071 14.9845 14.9845 k = 0.3519 0.5000-0.0000 ( 1658 PWs) bands (ev): -44.4267 -44.4267 -44.4256 -44.4256 -21.3183 -21.3183 -21.2536 -21.2536 -20.6934 -20.6934 -20.6464 -20.6464 -20.5357 -20.5357 -20.4943 -20.4943 6.2565 6.2565 7.2617 7.2617 9.9343 9.9343 10.5152 10.5152 10.9882 10.9882 14.0304 14.0304 14.7487 14.7487 14.8627 14.8627 15.0151 15.0151 k = 0.3611 0.5000-0.0000 ( 1658 PWs) bands (ev): -44.4257 -44.4257 -44.4247 -44.4247 -21.3211 -21.3211 -21.2557 -21.2557 -20.6957 -20.6957 -20.6495 -20.6495 -20.5358 -20.5358 -20.4956 -20.4956 6.2362 6.2362 7.3327 7.3327 9.9152 9.9152 10.4480 10.4480 10.9721 10.9721 14.1340 14.1340 14.7707 14.7707 14.9164 14.9164 15.0445 15.0445 k = 0.3704 0.5000-0.0000 ( 1666 PWs) bands (ev): -44.4247 -44.4247 -44.4239 -44.4239 -21.3239 -21.3239 -21.2577 -21.2577 -20.6980 -20.6980 -20.6526 -20.6526 -20.5359 -20.5359 -20.4969 -20.4969 6.2169 6.2169 7.4028 7.4028 9.8969 9.8969 10.3813 10.3813 10.9567 10.9567 14.2377 14.2377 14.7919 14.7919 14.9673 14.9673 15.0725 15.0725 k = 0.3796 0.5000-0.0000 ( 1666 PWs) bands (ev): -44.4238 -44.4238 -44.4231 -44.4231 -21.3266 -21.3266 -21.2596 -21.2596 -20.7001 -20.7001 -20.6554 -20.6554 -20.5358 -20.5358 -20.4978 -20.4978 6.1987 6.1987 7.4720 7.4720 9.8796 9.8796 10.3153 10.3153 10.9421 10.9421 14.3411 14.3411 14.8122 14.8122 15.0150 15.0150 15.0990 15.0990 k = 0.3889 0.5000-0.0000 ( 1658 PWs) bands (ev): -44.4230 -44.4230 -44.4223 -44.4223 -21.3291 -21.3291 -21.2613 -21.2613 -20.7021 -20.7021 -20.6580 -20.6580 -20.5357 -20.5357 -20.4986 -20.4986 6.1817 6.1817 7.5398 7.5398 9.8632 9.8632 10.2505 10.2505 10.9285 10.9285 14.4439 14.4439 14.8314 14.8314 15.0589 15.0589 15.1240 15.1240 k = 0.3981 0.5000-0.0000 ( 1662 PWs) bands (ev): -44.4222 -44.4222 -44.4216 -44.4216 -21.3316 -21.3316 -21.2631 -21.2631 -20.7040 -20.7040 -20.6606 -20.6606 -20.5357 -20.5357 -20.4993 -20.4993 6.1658 6.1658 7.6059 7.6059 9.8478 9.8478 10.1872 10.1872 10.9157 10.9157 14.5456 14.5456 14.8495 14.8495 15.0985 15.0985 15.1473 15.1473 k = 0.4074 0.5000-0.0000 ( 1662 PWs) bands (ev): -44.4215 -44.4215 -44.4210 -44.4210 -21.3339 -21.3339 -21.2646 -21.2646 -20.7058 -20.7058 -20.6630 -20.6630 -20.5356 -20.5356 -20.4998 -20.4998 6.1511 6.1511 7.6697 7.6697 9.8336 9.8336 10.1258 10.1258 10.9040 10.9040 14.6458 14.6458 14.8664 14.8664 15.1336 15.1336 15.1689 15.1689 k = 0.4167 0.5000-0.0000 ( 1662 PWs) bands (ev): -44.4208 -44.4208 -44.4204 -44.4204 -21.3361 -21.3361 -21.2661 -21.2661 -20.7074 -20.7074 -20.6651 -20.6651 -20.5355 -20.5355 -20.5003 -20.5003 6.1378 6.1378 7.7309 7.7309 9.8206 9.8206 10.0669 10.0669 10.8932 10.8932 14.7441 14.7441 14.8820 14.8820 15.1639 15.1639 15.1888 15.1888 k = 0.4259 0.5000-0.0000 ( 1662 PWs) bands (ev): -44.4202 -44.4202 -44.4199 -44.4199 -21.3380 -21.3380 -21.2675 -21.2675 -20.7089 -20.7089 -20.6671 -20.6671 -20.5354 -20.5354 -20.5006 -20.5006 6.1257 6.1257 7.7889 7.7889 9.8088 9.8088 10.0110 10.0110 10.8835 10.8835 14.8398 14.8398 14.8962 14.8962 15.1895 15.1895 15.2069 15.2069 k = 0.4352 0.5000-0.0000 ( 1660 PWs) bands (ev): -44.4196 -44.4196 -44.4194 -44.4194 -21.3398 -21.3398 -21.2686 -21.2686 -20.7102 -20.7102 -20.6688 -20.6688 -20.5353 -20.5353 -20.5009 -20.5009 6.1150 6.1150 7.8429 7.8429 9.7982 9.7982 9.9588 9.9588 10.8748 10.8748 14.9088 14.9088 14.9324 14.9324 15.2107 15.2107 15.2231 15.2231 k = 0.4444 0.5000-0.0000 ( 1656 PWs) bands (ev): -44.4192 -44.4192 -44.4190 -44.4190 -21.3414 -21.3414 -21.2697 -21.2697 -20.7113 -20.7113 -20.6703 -20.6703 -20.5352 -20.5352 -20.5011 -20.5011 6.1056 6.1056 7.8922 7.8922 9.7890 9.7890 9.9111 9.9111 10.8673 10.8673 14.9200 14.9200 15.0207 15.0207 15.2278 15.2278 15.2376 15.2376 k = 0.4537 0.5000-0.0000 ( 1656 PWs) bands (ev): -44.4188 -44.4188 -44.4186 -44.4186 -21.3427 -21.3427 -21.2706 -21.2706 -20.7123 -20.7123 -20.6716 -20.6716 -20.5352 -20.5352 -20.5012 -20.5012 6.0977 6.0977 7.9360 7.9360 9.7812 9.7812 9.8686 9.8686 10.8609 10.8609 14.9296 14.9296 15.1033 15.1033 15.2411 15.2411 15.2508 15.2508 k = 0.4630 0.5000-0.0000 ( 1648 PWs) bands (ev): -44.4184 -44.4184 -44.4184 -44.4184 -21.3438 -21.3438 -21.2713 -21.2713 -20.7130 -20.7130 -20.6726 -20.6726 -20.5350 -20.5350 -20.5013 -20.5013 6.0912 6.0912 7.9736 7.9736 9.7747 9.7747 9.8321 9.8321 10.8556 10.8556 14.9376 14.9376 15.1772 15.1772 15.2513 15.2513 15.2641 15.2641 k = 0.4722 0.5000-0.0000 ( 1644 PWs) bands (ev): -44.4182 -44.4182 -44.4181 -44.4181 -21.3446 -21.3446 -21.2718 -21.2718 -20.7136 -20.7136 -20.6734 -20.6734 -20.5350 -20.5350 -20.5014 -20.5014 6.0861 6.0861 8.0039 8.0039 9.7697 9.7697 9.8027 9.8027 10.8514 10.8514 14.9438 14.9438 15.2330 15.2330 15.2587 15.2587 15.2844 15.2844 k = 0.4815 0.5000-0.0000 ( 1640 PWs) bands (ev): -44.4180 -44.4180 -44.4180 -44.4180 -21.3452 -21.3452 -21.2722 -21.2722 -20.7140 -20.7140 -20.6739 -20.6739 -20.5349 -20.5349 -20.5014 -20.5014 6.0824 6.0824 8.0263 8.0263 9.7660 9.7660 9.7810 9.7810 10.8485 10.8485 14.9483 14.9483 15.2567 15.2567 15.2637 15.2637 15.3208 15.3208 k = 0.4907 0.5000-0.0000 ( 1640 PWs) bands (ev): -44.4179 -44.4179 -44.4179 -44.4179 -21.3456 -21.3456 -21.2725 -21.2725 -20.7143 -20.7143 -20.6743 -20.6743 -20.5349 -20.5349 -20.5014 -20.5014 6.0802 6.0802 8.0399 8.0399 9.7638 9.7638 9.7676 9.7676 10.8467 10.8467 14.9510 14.9510 15.2640 15.2640 15.2669 15.2669 15.3391 15.3391 k = 0.5000 0.5000-0.0000 ( 1640 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3457 -21.3457 -21.2725 -21.2725 -20.7143 -20.7143 -20.6744 -20.6744 -20.5349 -20.5349 -20.5014 -20.5014 6.0795 6.0795 8.0446 8.0446 9.7628 9.7628 9.7634 9.7634 10.8461 10.8461 14.9519 14.9519 15.2658 15.2658 15.2681 15.2681 15.3406 15.3406 k = 0.5000 0.5000-0.0000 ( 1640 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3457 -21.3457 -21.2725 -21.2725 -20.7143 -20.7143 -20.6744 -20.6744 -20.5349 -20.5349 -20.5014 -20.5014 6.0795 6.0795 8.0446 8.0446 9.7628 9.7628 9.7634 9.7634 10.8461 10.8461 14.9519 14.9519 15.2658 15.2658 15.2681 15.2681 15.3406 15.3406 k = 0.4935 0.4935-0.0000 ( 1640 PWs) bands (ev): -44.4179 -44.4179 -44.4178 -44.4178 -21.3456 -21.3456 -21.2725 -21.2725 -20.7143 -20.7143 -20.6743 -20.6743 -20.5349 -20.5349 -20.5014 -20.5014 6.0802 6.0802 8.0400 8.0400 9.7644 9.7644 9.7670 9.7670 10.8467 10.8467 14.9510 14.9510 15.2641 15.2641 15.2669 15.2669 15.3391 15.3391 k = 0.4870 0.4870-0.0000 ( 1640 PWs) bands (ev): -44.4180 -44.4180 -44.4179 -44.4179 -21.3452 -21.3452 -21.2722 -21.2722 -20.7140 -20.7140 -20.6739 -20.6739 -20.5349 -20.5349 -20.5014 -20.5014 6.0824 6.0824 8.0265 8.0265 9.7684 9.7684 9.7782 9.7782 10.8484 10.8484 14.9483 14.9483 15.2571 15.2571 15.2629 15.2629 15.3225 15.3225 k = 0.4805 0.4805-0.0000 ( 1644 PWs) bands (ev): -44.4183 -44.4183 -44.4180 -44.4180 -21.3447 -21.3447 -21.2718 -21.2718 -20.7136 -20.7136 -20.6734 -20.6734 -20.5350 -20.5350 -20.5014 -20.5014 6.0860 6.0860 8.0044 8.0044 9.7751 9.7751 9.7967 9.7967 10.8514 10.8514 14.9437 14.9437 15.2323 15.2323 15.2563 15.2563 15.2914 15.2914 k = 0.4740 0.4740-0.0000 ( 1648 PWs) bands (ev): -44.4187 -44.4187 -44.4181 -44.4181 -21.3438 -21.3438 -21.2713 -21.2713 -20.7130 -20.7130 -20.6726 -20.6726 -20.5351 -20.5351 -20.5013 -20.5013 6.0910 6.0910 7.9741 7.9741 9.7844 9.7844 9.8218 9.8218 10.8555 10.8555 14.9372 14.9372 15.1774 15.1774 15.2474 15.2474 15.2766 15.2766 k = 0.4675 0.4675-0.0000 ( 1656 PWs) bands (ev): -44.4192 -44.4192 -44.4182 -44.4182 -21.3427 -21.3427 -21.2706 -21.2706 -20.7123 -20.7123 -20.6716 -20.6716 -20.5353 -20.5353 -20.5012 -20.5012 6.0975 6.0975 7.9363 7.9363 9.7962 9.7962 9.8529 9.8529 10.8607 10.8607 14.9285 14.9285 15.1065 15.1065 15.2361 15.2361 15.2689 15.2689 k = 0.4610 0.4610-0.0000 ( 1661 PWs) bands (ev): -44.4197 -44.4197 -44.4184 -44.4184 -21.3414 -21.3414 -21.2697 -21.2697 -20.7114 -20.7114 -20.6703 -20.6703 -20.5354 -20.5354 -20.5010 -20.5010 6.1054 6.1054 7.8917 7.8917 9.8107 9.8107 9.8894 9.8894 10.8672 10.8672 14.9176 14.9176 15.0279 15.0279 15.2222 15.2222 15.2623 15.2623 k = 0.4545 0.4545-0.0000 ( 1661 PWs) bands (ev): -44.4204 -44.4204 -44.4186 -44.4186 -21.3398 -21.3398 -21.2686 -21.2686 -20.7103 -20.7103 -20.6688 -20.6688 -20.5357 -20.5357 -20.5007 -20.5007 6.1147 6.1147 7.8410 7.8410 9.8277 9.8277 9.9304 9.9304 10.8748 10.8748 14.9041 14.9041 14.9447 14.9447 15.2057 15.2057 15.2554 15.2554 k = 0.4481 0.4481-0.0000 ( 1661 PWs) bands (ev): -44.4212 -44.4212 -44.4189 -44.4189 -21.3380 -21.3380 -21.2674 -21.2674 -20.7090 -20.7090 -20.6670 -20.6670 -20.5360 -20.5360 -20.5003 -20.5003 6.1254 6.1254 7.7849 7.7849 9.8471 9.8471 9.9755 9.9755 10.8837 10.8837 14.8582 14.8582 14.8881 14.8881 15.1865 15.1865 15.2480 15.2480 k = 0.4416 0.4416-0.0000 ( 1667 PWs) bands (ev): -44.4220 -44.4220 -44.4191 -44.4191 -21.3359 -21.3359 -21.2660 -21.2660 -20.7077 -20.7077 -20.6650 -20.6650 -20.5364 -20.5364 -20.4998 -20.4998 6.1375 6.1375 7.7239 7.7239 9.8690 9.8690 10.0238 10.0238 10.8937 10.8937 14.7695 14.7695 14.8692 14.8692 15.1646 15.1646 15.2397 15.2397 k = 0.4351 0.4351-0.0000 ( 1667 PWs) bands (ev): -44.4230 -44.4230 -44.4194 -44.4194 -21.3337 -21.3337 -21.2644 -21.2644 -20.7061 -20.7061 -20.6628 -20.6628 -20.5369 -20.5369 -20.4991 -20.4991 6.1511 6.1511 7.6586 7.6586 9.8933 9.8933 10.0750 10.0750 10.9049 10.9049 14.6791 14.6791 14.8475 14.8475 15.1398 15.1398 15.2306 15.2306 k = 0.4286 0.4286-0.0000 ( 1665 PWs) bands (ev): -44.4241 -44.4241 -44.4198 -44.4198 -21.3312 -21.3312 -21.2626 -21.2626 -20.7044 -20.7044 -20.6602 -20.6602 -20.5376 -20.5376 -20.4983 -20.4983 6.1660 6.1660 7.5895 7.5895 9.9198 9.9198 10.1283 10.1283 10.9173 10.9173 14.5878 14.5878 14.8229 14.8229 15.1120 15.1120 15.2205 15.2205 k = 0.4221 0.4221-0.0000 ( 1669 PWs) bands (ev): -44.4252 -44.4252 -44.4201 -44.4201 -21.3286 -21.3286 -21.2607 -21.2607 -20.7026 -20.7026 -20.6575 -20.6575 -20.5384 -20.5384 -20.4973 -20.4973 6.1823 6.1823 7.5170 7.5170 9.9485 9.9485 10.1835 10.1835 10.9310 10.9310 14.4960 14.4960 14.7955 14.7955 15.0812 15.0812 15.2094 15.2094 k = 0.4156 0.4156-0.0000 ( 1669 PWs) bands (ev): -44.4265 -44.4265 -44.4205 -44.4205 -21.3257 -21.3257 -21.2586 -21.2586 -20.7006 -20.7006 -20.6545 -20.6545 -20.5392 -20.5392 -20.4961 -20.4961 6.1999 6.1999 7.4415 7.4415 9.9793 9.9793 10.2400 10.2400 10.9459 10.9459 14.4041 14.4041 14.7654 14.7654 15.0472 15.0472 15.1973 15.1973 k = 0.4091 0.4091-0.0000 ( 1669 PWs) bands (ev): -44.4278 -44.4278 -44.4210 -44.4210 -21.3227 -21.3227 -21.2564 -21.2564 -20.6986 -20.6986 -20.6513 -20.6513 -20.5402 -20.5402 -20.4948 -20.4948 6.2189 6.2189 7.3633 7.3633 10.0121 10.0121 10.2974 10.2974 10.9620 10.9620 14.3127 14.3127 14.7328 14.7328 15.0098 15.0098 15.1842 15.1842 k = 0.4026 0.4026-0.0000 ( 1669 PWs) bands (ev): -44.4293 -44.4293 -44.4214 -44.4214 -21.3196 -21.3196 -21.2539 -21.2539 -20.6964 -20.6964 -20.6478 -20.6478 -20.5413 -20.5413 -20.4932 -20.4932 6.2393 6.2393 7.2828 7.2828 10.0468 10.0468 10.3555 10.3555 10.9794 10.9794 14.2221 14.2221 14.6978 14.6978 14.9689 14.9689 15.1699 15.1699 k = 0.3961 0.3961-0.0000 ( 1669 PWs) bands (ev): -44.4308 -44.4308 -44.4219 -44.4219 -21.3163 -21.3163 -21.2513 -21.2513 -20.6941 -20.6941 -20.6441 -20.6441 -20.5424 -20.5424 -20.4915 -20.4915 6.2609 6.2609 7.2002 7.2002 10.0831 10.0831 10.4137 10.4137 10.9980 10.9980 14.1327 14.1327 14.6608 14.6608 14.9243 14.9243 15.1545 15.1545 k = 0.3896 0.3896-0.0000 ( 1669 PWs) bands (ev): -44.4324 -44.4324 -44.4224 -44.4224 -21.3129 -21.3129 -21.2485 -21.2485 -20.6917 -20.6917 -20.6402 -20.6402 -20.5436 -20.5436 -20.4896 -20.4896 6.2838 6.2838 7.1156 7.1156 10.1211 10.1211 10.4719 10.4719 11.0178 11.0178 14.0450 14.0450 14.6220 14.6220 14.8758 14.8758 15.1364 15.1364 k = 0.3831 0.3831-0.0000 ( 1665 PWs) bands (ev): -44.4340 -44.4340 -44.4229 -44.4229 -21.3095 -21.3095 -21.2455 -21.2455 -20.6892 -20.6892 -20.6360 -20.6360 -20.5449 -20.5449 -20.4875 -20.4875 6.3081 6.3081 7.0294 7.0294 10.1604 10.1604 10.5296 10.5296 11.0390 11.0390 13.9593 13.9593 14.5816 14.5816 14.8234 14.8234 15.0948 15.0948 k = 0.3766 0.3766-0.0000 ( 1661 PWs) bands (ev): -44.4358 -44.4358 -44.4234 -44.4234 -21.3059 -21.3059 -21.2423 -21.2423 -20.6866 -20.6866 -20.6316 -20.6316 -20.5461 -20.5461 -20.4853 -20.4853 6.3335 6.3335 6.9416 6.9416 10.2010 10.2010 10.5864 10.5864 11.0614 11.0614 13.8762 13.8762 14.5399 14.5399 14.7673 14.7673 15.0355 15.0355 k = 0.3701 0.3701-0.0000 ( 1663 PWs) bands (ev): -44.4376 -44.4376 -44.4240 -44.4240 -21.3024 -21.3024 -21.2389 -21.2389 -20.6841 -20.6841 -20.6271 -20.6271 -20.5474 -20.5474 -20.4830 -20.4830 6.3602 6.3602 6.8525 6.8525 10.2426 10.2426 10.6421 10.6421 11.0850 11.0850 13.7960 13.7960 14.4970 14.4970 14.7076 14.7076 14.9761 14.9761 k = 0.3636 0.3636-0.0000 ( 1663 PWs) bands (ev): -44.4395 -44.4395 -44.4246 -44.4246 -21.2988 -21.2988 -21.2353 -21.2353 -20.6814 -20.6814 -20.6223 -20.6223 -20.5487 -20.5487 -20.4804 -20.4804 6.3881 6.3881 6.7623 6.7623 10.2850 10.2850 10.6961 10.6961 11.1100 11.1100 13.7193 13.7193 14.4533 14.4533 14.6447 14.6447 14.9175 14.9175 k = 0.3571 0.3571-0.0000 ( 1663 PWs) bands (ev): -44.4415 -44.4415 -44.4252 -44.4252 -21.2952 -21.2952 -21.2315 -21.2315 -20.6788 -20.6788 -20.6173 -20.6173 -20.5499 -20.5499 -20.4778 -20.4778 6.4172 6.4172 6.6710 6.6710 10.3279 10.3279 10.7481 10.7481 11.1362 11.1362 13.6464 13.6464 14.4089 14.4089 14.5792 14.5792 14.8600 14.8600 k = 0.3506 0.3506-0.0000 ( 1661 PWs) bands (ev): -44.4435 -44.4435 -44.4258 -44.4258 -21.2917 -21.2917 -21.2275 -21.2275 -20.6761 -20.6761 -20.6122 -20.6122 -20.5509 -20.5509 -20.4750 -20.4750 6.4474 6.4474 6.5788 6.5788 10.3711 10.3711 10.7976 10.7976 11.1637 11.1637 13.5779 13.5779 14.3640 14.3640 14.5116 14.5116 14.8034 14.8034 k = 0.3442 0.3442-0.0000 ( 1661 PWs) bands (ev): -44.4456 -44.4456 -44.4265 -44.4265 -21.2882 -21.2882 -21.2233 -21.2233 -20.6734 -20.6734 -20.6070 -20.6070 -20.5519 -20.5519 -20.4721 -20.4721 6.4764 6.4764 6.4883 6.4883 10.4143 10.4143 10.8441 10.8441 11.1925 11.1925 13.5143 13.5143 14.3187 14.3187 14.4426 14.4426 14.7477 14.7477 k = 0.3377 0.3377-0.0000 ( 1661 PWs) bands (ev): -44.4478 -44.4478 -44.4272 -44.4272 -21.2848 -21.2848 -21.2188 -21.2188 -20.6707 -20.6707 -20.6016 -20.6016 -20.5526 -20.5526 -20.4691 -20.4691 6.3919 6.3919 6.5118 6.5118 10.4571 10.4571 10.8871 10.8871 11.2225 11.2225 13.4561 13.4561 14.2732 14.2732 14.3727 14.3727 14.6929 14.6929 k = 0.3312 0.3312-0.0000 ( 1663 PWs) bands (ev): -44.4500 -44.4500 -44.4279 -44.4279 -21.2816 -21.2816 -21.2142 -21.2142 -20.6681 -20.6681 -20.5962 -20.5962 -20.5531 -20.5531 -20.4659 -20.4659 6.2979 6.2979 6.5452 6.5452 10.4992 10.4992 10.9261 10.9261 11.2538 11.2538 13.4039 13.4039 14.2275 14.2275 14.3026 14.3026 14.6391 14.6391 k = 0.3247 0.3247-0.0000 ( 1667 PWs) bands (ev): -44.4523 -44.4523 -44.4286 -44.4286 -21.2784 -21.2784 -21.2093 -21.2093 -20.6656 -20.6656 -20.5907 -20.5907 -20.5533 -20.5533 -20.4627 -20.4627 6.2035 6.2035 6.5799 6.5799 10.5403 10.5403 10.9606 10.9606 11.2864 11.2864 13.3581 13.3581 14.1817 14.1817 14.2329 14.2329 14.5863 14.5863 k = 0.3182 0.3182-0.0000 ( 1667 PWs) bands (ev): -44.4546 -44.4546 -44.4293 -44.4293 -21.2754 -21.2754 -21.2042 -21.2042 -20.6632 -20.6632 -20.5853 -20.5853 -20.5530 -20.5530 -20.4593 -20.4593 6.1087 6.1087 6.6155 6.6155 10.5799 10.5799 10.9900 10.9900 11.3202 11.3202 13.3193 13.3193 14.1351 14.1351 14.1647 14.1647 14.5348 14.5348 k = 0.3117 0.3117-0.0000 ( 1663 PWs) bands (ev): -44.4569 -44.4569 -44.4301 -44.4301 -21.2725 -21.2725 -21.1988 -21.1988 -20.6608 -20.6608 -20.5801 -20.5801 -20.5520 -20.5520 -20.4559 -20.4559 6.0139 6.0139 6.6522 6.6522 10.6176 10.6176 11.0140 11.0140 11.3552 11.3552 13.2877 13.2877 14.0834 14.0834 14.1028 14.1028 14.4849 14.4849 k = 0.3052 0.3052-0.0000 ( 1677 PWs) bands (ev): -44.4593 -44.4593 -44.4308 -44.4308 -21.2698 -21.2698 -21.1935 -21.1935 -20.6587 -20.6587 -20.5755 -20.5755 -20.5503 -20.5503 -20.4525 -20.4525 5.9190 5.9190 6.6897 6.6897 10.6529 10.6529 11.0321 11.0321 11.3915 11.3915 13.2638 13.2638 14.0210 14.0210 14.0530 14.0530 14.4368 14.4368 k = 0.2987 0.2987-0.0000 ( 1677 PWs) bands (ev): -44.4618 -44.4618 -44.4316 -44.4316 -21.2672 -21.2672 -21.1878 -21.1878 -20.6566 -20.6566 -20.5713 -20.5713 -20.5475 -20.5475 -20.4489 -20.4489 5.8242 5.8242 6.7283 6.7283 10.6854 10.6854 11.0443 11.0443 11.4290 11.4290 13.2477 13.2477 13.9559 13.9559 14.0080 14.0080 14.3912 14.3912 k = 0.2922 0.2922-0.0000 ( 1667 PWs) bands (ev): -44.4642 -44.4642 -44.4324 -44.4324 -21.2647 -21.2647 -21.1820 -21.1820 -20.6547 -20.6547 -20.5676 -20.5676 -20.5435 -20.5435 -20.4451 -20.4451 5.7296 5.7296 6.7677 6.7677 10.7147 10.7147 11.0502 11.0502 11.4676 11.4676 13.2395 13.2395 13.8915 13.8915 13.9644 13.9644 14.3483 14.3483 k = 0.2857 0.2857-0.0000 ( 1667 PWs) bands (ev): -44.4667 -44.4667 -44.4331 -44.4331 -21.2624 -21.2624 -21.1760 -21.1760 -20.6530 -20.6530 -20.5645 -20.5645 -20.5387 -20.5387 -20.4414 -20.4414 5.6353 5.6353 6.8079 6.8079 10.7403 10.7403 11.0502 11.0502 11.5073 11.5073 13.2389 13.2389 13.8284 13.8284 13.9218 13.9218 14.3089 14.3089 k = 0.2792 0.2792-0.0000 ( 1667 PWs) bands (ev): -44.4692 -44.4692 -44.4339 -44.4339 -21.2603 -21.2603 -21.1700 -21.1700 -20.6515 -20.6515 -20.5617 -20.5617 -20.5330 -20.5330 -20.4376 -20.4376 5.5414 5.5414 6.8489 6.8489 10.7617 10.7617 11.0442 11.0442 11.5482 11.5482 13.2456 13.2456 13.7668 13.7668 13.8800 13.8800 14.2734 14.2734 k = 0.2727 0.2727-0.0000 ( 1673 PWs) bands (ev): -44.4717 -44.4717 -44.4348 -44.4348 -21.2585 -21.2585 -21.1638 -21.1638 -20.6503 -20.6503 -20.5591 -20.5591 -20.5268 -20.5268 -20.4338 -20.4338 5.4480 5.4480 6.8907 6.8907 10.7785 10.7785 11.0326 11.0326 11.5901 11.5901 13.2593 13.2593 13.7069 13.7069 13.8391 13.8391 14.2423 14.2423 k = 0.2662 0.2662-0.0000 ( 1665 PWs) bands (ev): -44.4743 -44.4743 -44.4356 -44.4356 -21.2566 -21.2566 -21.1575 -21.1575 -20.6492 -20.6492 -20.5563 -20.5563 -20.5201 -20.5201 -20.4299 -20.4299 5.3553 5.3553 6.9332 6.9332 10.7905 10.7905 11.0160 11.0160 11.6331 11.6331 13.2793 13.2793 13.6485 13.6485 13.7990 13.7990 14.2164 14.2164 k = 0.2597 0.2597-0.0000 ( 1663 PWs) bands (ev): -44.4768 -44.4768 -44.4364 -44.4364 -21.2549 -21.2549 -21.1512 -21.1512 -20.6482 -20.6482 -20.5533 -20.5533 -20.5133 -20.5133 -20.4260 -20.4260 5.2633 5.2633 6.9763 6.9763 10.7974 10.7974 10.9948 10.9948 11.6770 11.6770 13.3049 13.3049 13.5916 13.5916 13.7599 13.7599 14.1960 14.1960 k = 0.2532 0.2532-0.0000 ( 1663 PWs) bands (ev): -44.4794 -44.4794 -44.4372 -44.4372 -21.2535 -21.2535 -21.1448 -21.1448 -20.6475 -20.6475 -20.5502 -20.5502 -20.5062 -20.5062 -20.4221 -20.4221 5.1721 5.1721 7.0200 7.0200 10.7989 10.7989 10.9696 10.9696 11.7218 11.7218 13.3353 13.3353 13.5361 13.5361 13.7217 13.7217 14.1817 14.1817 k = 0.2468 0.2468-0.0000 ( 1663 PWs) bands (ev): -44.4820 -44.4820 -44.4380 -44.4380 -21.2522 -21.2522 -21.1384 -21.1384 -20.6469 -20.6469 -20.5470 -20.5470 -20.4990 -20.4990 -20.4181 -20.4181 5.0819 5.0819 7.0643 7.0643 10.7950 10.7950 10.9409 10.9409 11.7675 11.7675 13.3692 13.3692 13.4826 13.4826 13.6846 13.6846 14.1737 14.1737 k = 0.2403 0.2403-0.0000 ( 1663 PWs) bands (ev): -44.4845 -44.4845 -44.4388 -44.4388 -21.2511 -21.2511 -21.1320 -21.1320 -20.6464 -20.6464 -20.5435 -20.5435 -20.4916 -20.4916 -20.4142 -20.4142 4.9927 4.9927 7.1091 7.1091 10.7856 10.7856 10.9093 10.9093 11.8140 11.8140 13.3992 13.3992 13.4374 13.4374 13.6485 13.6485 14.1722 14.1722 k = 0.2338 0.2338-0.0000 ( 1659 PWs) bands (ev): -44.4871 -44.4871 -44.4396 -44.4396 -21.2501 -21.2501 -21.1256 -21.1256 -20.6461 -20.6461 -20.5397 -20.5397 -20.4842 -20.4842 -20.4101 -20.4101 4.9046 4.9046 7.1543 7.1543 10.7711 10.7711 10.8754 10.8754 11.8612 11.8612 13.3695 13.3695 13.4554 13.4554 13.6137 13.6137 14.1773 14.1773 k = 0.2273 0.2273-0.0000 ( 1659 PWs) bands (ev): -44.4896 -44.4896 -44.4404 -44.4404 -21.2493 -21.2493 -21.1192 -21.1192 -20.6458 -20.6458 -20.5358 -20.5358 -20.4767 -20.4767 -20.4061 -20.4061 4.8178 4.8178 7.1999 7.1999 10.7514 10.7514 10.8395 10.8395 11.9090 11.9090 13.3195 13.3195 13.4958 13.4958 13.5809 13.5809 14.1889 14.1889 k = 0.2208 0.2208-0.0000 ( 1655 PWs) bands (ev): -44.4921 -44.4921 -44.4412 -44.4412 -21.2486 -21.2486 -21.1127 -21.1127 -20.6455 -20.6455 -20.5317 -20.5317 -20.4692 -20.4692 -20.4021 -20.4021 4.7323 4.7323 7.2458 7.2458 10.7270 10.7270 10.8023 10.8023 11.9574 11.9574 13.2689 13.2689 13.5285 13.5285 13.5595 13.5595 14.2067 14.2067 k = 0.2143 0.2143-0.0000 ( 1651 PWs) bands (ev): -44.4946 -44.4946 -44.4421 -44.4421 -21.2481 -21.2481 -21.1063 -21.1063 -20.6453 -20.6453 -20.5276 -20.5276 -20.4616 -20.4616 -20.3980 -20.3980 4.6482 4.6482 7.2920 7.2920 10.6981 10.6981 10.7640 10.7640 12.0062 12.0062 13.2188 13.2188 13.5096 13.5096 13.5919 13.5919 14.2305 14.2305 k = 0.2078 0.2078-0.0000 ( 1651 PWs) bands (ev): -44.4971 -44.4971 -44.4429 -44.4429 -21.2478 -21.2478 -21.1000 -21.1000 -20.6451 -20.6451 -20.5233 -20.5233 -20.4541 -20.4541 -20.3940 -20.3940 4.5656 4.5656 7.3384 7.3384 10.6653 10.6653 10.7250 10.7250 12.0553 12.0553 13.1695 13.1695 13.4800 13.4800 13.6362 13.6362 14.2597 14.2597 k = 0.2013 0.2013-0.0000 ( 1653 PWs) bands (ev): -44.4996 -44.4996 -44.4436 -44.4436 -21.2476 -21.2476 -21.0938 -21.0938 -20.6450 -20.6450 -20.5189 -20.5189 -20.4466 -20.4466 -20.3901 -20.3901 4.4846 4.4846 7.3849 7.3849 10.6290 10.6290 10.6856 10.6856 12.1047 12.1047 13.1210 13.1210 13.4505 13.4505 13.6809 13.6809 14.2939 14.2939 k = 0.1948 0.1948-0.0000 ( 1653 PWs) bands (ev): -44.5020 -44.5020 -44.4444 -44.4444 -21.2475 -21.2475 -21.0876 -21.0876 -20.6448 -20.6448 -20.5145 -20.5145 -20.4391 -20.4391 -20.3861 -20.3861 4.4053 4.4053 7.4315 7.4315 10.5896 10.5896 10.6461 10.6461 12.1542 12.1542 13.0733 13.0733 13.4218 13.4218 13.7246 13.7246 14.3326 14.3326 k = 0.1883 0.1883-0.0000 ( 1657 PWs) bands (ev): -44.5044 -44.5044 -44.4452 -44.4452 -21.2476 -21.2476 -21.0816 -21.0816 -20.6446 -20.6446 -20.5100 -20.5100 -20.4318 -20.4318 -20.3822 -20.3822 4.3277 4.3277 7.4780 7.4780 10.5476 10.5476 10.6067 10.6067 12.2036 12.2036 13.0267 13.0267 13.3941 13.3941 13.7663 13.7663 14.3752 14.3752 k = 0.1818 0.1818-0.0000 ( 1663 PWs) bands (ev): -44.5068 -44.5068 -44.4460 -44.4460 -21.2478 -21.2478 -21.0757 -21.0757 -20.6444 -20.6444 -20.5055 -20.5055 -20.4246 -20.4246 -20.3784 -20.3784 4.2519 4.2519 7.5244 7.5244 10.5035 10.5035 10.5677 10.5677 12.2529 12.2529 12.9811 12.9811 13.3675 13.3675 13.8053 13.8053 14.4211 14.4211 k = 0.1753 0.1753-0.0000 ( 1663 PWs) bands (ev): -44.5091 -44.5091 -44.4467 -44.4467 -21.2480 -21.2480 -21.0699 -21.0699 -20.6441 -20.6441 -20.5009 -20.5009 -20.4174 -20.4174 -20.3745 -20.3745 4.1781 4.1781 7.5706 7.5706 10.4577 10.4577 10.5291 10.5291 12.3018 12.3018 12.9367 12.9367 13.3419 13.3419 13.8407 13.8407 14.4386 14.4386 k = 0.1688 0.1688-0.0000 ( 1667 PWs) bands (ev): -44.5113 -44.5113 -44.4475 -44.4475 -21.2484 -21.2484 -21.0643 -21.0643 -20.6438 -20.6438 -20.4964 -20.4964 -20.4105 -20.4105 -20.3707 -20.3707 4.1063 4.1063 7.6166 7.6166 10.4107 10.4107 10.4913 10.4913 12.3502 12.3502 12.8934 12.8934 13.3173 13.3173 13.8718 13.8718 14.4368 14.4368 k = 0.1623 0.1623-0.0000 ( 1667 PWs) bands (ev): -44.5136 -44.5136 -44.4482 -44.4482 -21.2488 -21.2488 -21.0587 -21.0587 -20.6435 -20.6435 -20.4919 -20.4919 -20.4036 -20.4036 -20.3669 -20.3669 4.0366 4.0366 7.6621 7.6621 10.3628 10.3628 10.4542 10.4542 12.3981 12.3981 12.8514 12.8514 13.2939 13.2939 13.8980 13.8980 14.4395 14.4395 k = 0.1558 0.1558-0.0000 ( 1667 PWs) bands (ev): -44.5157 -44.5157 -44.4489 -44.4489 -21.2494 -21.2494 -21.0533 -21.0533 -20.6431 -20.6431 -20.4874 -20.4874 -20.3969 -20.3969 -20.3631 -20.3631 3.9690 3.9690 7.7073 7.7073 10.3144 10.3144 10.4181 10.4181 12.4451 12.4451 12.8107 12.8107 13.2714 13.2714 13.9188 13.9188 14.4470 14.4470 k = 0.1494 0.1494-0.0000 ( 1663 PWs) bands (ev): -44.5178 -44.5178 -44.4495 -44.4495 -21.2500 -21.2500 -21.0481 -21.0481 -20.6426 -20.6426 -20.4829 -20.4829 -20.3904 -20.3904 -20.3593 -20.3593 3.9037 3.9037 7.7518 7.7518 10.2659 10.2659 10.3829 10.3829 12.4911 12.4911 12.7713 12.7713 13.2500 13.2500 13.9342 13.9342 14.4593 14.4593 k = 0.1429 0.1429-0.0000 ( 1663 PWs) bands (ev): -44.5199 -44.5199 -44.4502 -44.4502 -21.2506 -21.2506 -21.0430 -21.0430 -20.6422 -20.6422 -20.4785 -20.4785 -20.3842 -20.3842 -20.3556 -20.3556 3.8406 3.8406 7.7957 7.7957 10.2176 10.2176 10.3489 10.3489 12.5359 12.5359 12.7335 12.7335 13.2297 13.2297 13.9445 13.9445 14.4759 14.4759 k = 0.1364 0.1364-0.0000 ( 1667 PWs) bands (ev): -44.5218 -44.5218 -44.4509 -44.4509 -21.2514 -21.2514 -21.0381 -21.0381 -20.6417 -20.6417 -20.4744 -20.4744 -20.3782 -20.3782 -20.3518 -20.3518 3.7798 3.7798 7.8388 7.8388 10.1698 10.1698 10.3161 10.3161 12.5793 12.5793 12.6971 12.6971 13.2103 13.2103 13.9502 13.9502 14.4962 14.4962 k = 0.1299 0.1299-0.0000 ( 1665 PWs) bands (ev): -44.5237 -44.5237 -44.4515 -44.4515 -21.2522 -21.2522 -21.0334 -21.0334 -20.6412 -20.6412 -20.4702 -20.4702 -20.3725 -20.3725 -20.3481 -20.3481 3.7215 3.7215 7.8810 7.8810 10.1227 10.1227 10.2845 10.2845 12.6205 12.6205 12.6630 12.6630 13.1920 13.1920 13.9520 13.9520 14.5194 14.5194 k = 0.1234 0.1234-0.0000 ( 1669 PWs) bands (ev): -44.5256 -44.5256 -44.4521 -44.4521 -21.2530 -21.2530 -21.0288 -21.0288 -20.6407 -20.6407 -20.4662 -20.4662 -20.3672 -20.3672 -20.3443 -20.3443 3.6656 3.6656 7.9223 7.9223 10.0767 10.0767 10.2542 10.2542 12.6266 12.6266 12.6638 12.6638 13.1747 13.1747 13.9507 13.9507 14.5446 14.5446 k = 0.1169 0.1169-0.0000 ( 1673 PWs) bands (ev): -44.5273 -44.5273 -44.4527 -44.4527 -21.2540 -21.2540 -21.0245 -21.0245 -20.6402 -20.6402 -20.4624 -20.4624 -20.3622 -20.3622 -20.3405 -20.3405 3.6122 3.6122 7.9624 7.9624 10.0319 10.0319 10.2252 10.2252 12.5957 12.5957 12.7013 12.7013 13.1584 13.1584 13.9470 13.9470 14.5711 14.5711 k = 0.1104 0.1104-0.0000 ( 1673 PWs) bands (ev): -44.5290 -44.5290 -44.4532 -44.4532 -21.2548 -21.2548 -21.0203 -21.0203 -20.6396 -20.6396 -20.4586 -20.4586 -20.3576 -20.3576 -20.3366 -20.3366 3.5615 3.5615 8.0013 8.0013 9.9885 9.9885 10.1976 10.1976 12.5656 12.5656 12.7378 12.7378 13.1431 13.1431 13.9416 13.9416 14.5982 14.5982 k = 0.1039 0.1039-0.0000 ( 1669 PWs) bands (ev): -44.5306 -44.5306 -44.4537 -44.4537 -21.2557 -21.2557 -21.0163 -21.0163 -20.6390 -20.6390 -20.4550 -20.4550 -20.3534 -20.3534 -20.3327 -20.3327 3.5133 3.5133 8.0389 8.0389 9.9468 9.9468 10.1715 10.1715 12.5369 12.5369 12.7722 12.7722 13.1288 13.1288 13.9350 13.9350 14.6253 14.6253 k = 0.0974 0.0974-0.0000 ( 1669 PWs) bands (ev): -44.5321 -44.5321 -44.4542 -44.4542 -21.2566 -21.2566 -21.0126 -21.0126 -20.6384 -20.6384 -20.4515 -20.4515 -20.3496 -20.3496 -20.3288 -20.3288 3.4678 3.4678 8.0750 8.0750 9.9069 9.9069 10.1468 10.1468 12.5099 12.5099 12.8044 12.8044 13.1154 13.1154 13.9276 13.9276 14.6519 14.6519 k = 0.0909 0.0909-0.0000 ( 1675 PWs) bands (ev): -44.5335 -44.5335 -44.4547 -44.4547 -21.2575 -21.2575 -21.0091 -21.0091 -20.6379 -20.6379 -20.4484 -20.4484 -20.3462 -20.3462 -20.3250 -20.3250 3.4251 3.4251 8.1096 8.1096 9.8689 9.8689 10.1236 10.1236 12.4845 12.4845 12.8344 12.8344 13.1030 13.1030 13.9197 13.9197 14.6778 14.6778 k = 0.0844 0.0844-0.0000 ( 1675 PWs) bands (ev): -44.5349 -44.5349 -44.4551 -44.4551 -21.2583 -21.2583 -21.0058 -21.0058 -20.6373 -20.6373 -20.4453 -20.4453 -20.3431 -20.3431 -20.3213 -20.3213 3.3851 3.3851 8.1424 8.1424 9.8330 9.8330 10.1020 10.1020 12.4608 12.4608 12.8620 12.8620 13.0914 13.0914 13.9117 13.9117 14.7026 14.7026 k = 0.0779 0.0779-0.0000 ( 1671 PWs) bands (ev): -44.5361 -44.5361 -44.4556 -44.4556 -21.2591 -21.2591 -21.0027 -21.0027 -20.6367 -20.6367 -20.4424 -20.4424 -20.3403 -20.3403 -20.3176 -20.3176 3.3479 3.3479 8.1734 8.1734 9.7993 9.7993 10.0818 10.0818 12.4387 12.4387 12.8871 12.8871 13.0809 13.0809 13.9037 13.9037 14.7260 14.7260 k = 0.0714 0.0714-0.0000 ( 1665 PWs) bands (ev): -44.5373 -44.5373 -44.4559 -44.4559 -21.2598 -21.2598 -20.9998 -20.9998 -20.6361 -20.6361 -20.4397 -20.4397 -20.3377 -20.3377 -20.3140 -20.3140 3.3135 3.3135 8.2024 8.2024 9.7680 9.7680 10.0632 10.0632 12.4184 12.4184 12.9099 12.9099 13.0712 13.0712 13.8958 13.8958 14.7480 14.7480 k = 0.0649 0.0649-0.0000 ( 1661 PWs) bands (ev): -44.5383 -44.5383 -44.4563 -44.4563 -21.2605 -21.2605 -20.9972 -20.9972 -20.6356 -20.6356 -20.4372 -20.4372 -20.3354 -20.3354 -20.3107 -20.3107 3.2820 3.2820 8.2294 8.2294 9.7390 9.7390 10.0462 10.0462 12.3998 12.3998 12.9302 12.9302 13.0625 13.0625 13.8884 13.8884 14.7684 14.7684 k = 0.0584 0.0584-0.0000 ( 1663 PWs) bands (ev): -44.5393 -44.5393 -44.4566 -44.4566 -21.2613 -21.2613 -20.9949 -20.9949 -20.6351 -20.6351 -20.4348 -20.4348 -20.3335 -20.3335 -20.3077 -20.3077 3.2534 3.2534 8.2542 8.2542 9.7126 9.7126 10.0308 10.0308 12.3830 12.3830 12.9482 12.9482 13.0547 13.0547 13.8814 13.8814 14.7870 14.7870 k = 0.0519 0.0519-0.0000 ( 1663 PWs) bands (ev): -44.5402 -44.5402 -44.4569 -44.4569 -21.2619 -21.2619 -20.9928 -20.9928 -20.6347 -20.6347 -20.4328 -20.4328 -20.3318 -20.3318 -20.3050 -20.3050 3.2278 3.2278 8.2767 8.2767 9.6888 9.6888 10.0169 10.0169 12.3679 12.3679 12.9638 12.9638 13.0478 13.0478 13.8749 13.8749 14.8039 14.8039 k = 0.0455 0.0455-0.0000 ( 1663 PWs) bands (ev): -44.5410 -44.5410 -44.4571 -44.4571 -21.2625 -21.2625 -20.9908 -20.9908 -20.6343 -20.6343 -20.4310 -20.4310 -20.3302 -20.3302 -20.3024 -20.3024 3.2051 3.2051 8.2968 8.2968 9.6676 9.6676 10.0047 10.0047 12.3545 12.3545 12.9772 12.9772 13.0418 13.0418 13.8691 13.8691 14.8189 14.8189 k = 0.0390 0.0390-0.0000 ( 1659 PWs) bands (ev): -44.5416 -44.5416 -44.4574 -44.4574 -21.2630 -21.2630 -20.9891 -20.9891 -20.6340 -20.6340 -20.4294 -20.4294 -20.3288 -20.3288 -20.3002 -20.3002 3.1854 3.1854 8.3145 8.3145 9.6491 9.6491 9.9941 9.9941 12.3429 12.3429 12.9883 12.9883 13.0369 13.0369 13.8639 13.8639 14.8319 14.8319 k = 0.0325 0.0325-0.0000 ( 1663 PWs) bands (ev): -44.5422 -44.5422 -44.4576 -44.4576 -21.2635 -21.2635 -20.9878 -20.9878 -20.6337 -20.6337 -20.4281 -20.4281 -20.3277 -20.3277 -20.2983 -20.2983 3.1687 3.1687 8.3296 8.3296 9.6334 9.6334 9.9851 9.9851 12.3331 12.3331 12.9971 12.9971 13.0330 13.0330 13.8594 13.8594 14.8431 14.8431 k = 0.0260 0.0260-0.0000 ( 1655 PWs) bands (ev): -44.5426 -44.5426 -44.4577 -44.4577 -21.2638 -21.2638 -20.9866 -20.9866 -20.6334 -20.6334 -20.4269 -20.4269 -20.3268 -20.3268 -20.2967 -20.2967 3.1550 3.1550 8.3420 8.3420 9.6204 9.6204 9.9777 9.9777 12.3251 12.3251 13.0037 13.0037 13.0304 13.0304 13.8558 13.8558 14.8522 14.8522 k = 0.0195 0.0195-0.0000 ( 1663 PWs) bands (ev): -44.5430 -44.5430 -44.4578 -44.4578 -21.2643 -21.2643 -20.9857 -20.9857 -20.6333 -20.6333 -20.4262 -20.4262 -20.3261 -20.3261 -20.2955 -20.2955 3.1443 3.1443 8.3517 8.3517 9.6103 9.6103 9.9720 9.9720 12.3188 12.3188 13.0080 13.0080 13.0290 13.0290 13.8529 13.8529 14.8593 14.8593 k = 0.0130 0.0130-0.0000 ( 1663 PWs) bands (ev): -44.5433 -44.5433 -44.4579 -44.4579 -21.2645 -21.2645 -20.9851 -20.9851 -20.6332 -20.6332 -20.4255 -20.4255 -20.3256 -20.3256 -20.2947 -20.2947 3.1367 3.1367 8.3587 8.3587 9.6031 9.6031 9.9679 9.9679 12.3143 12.3143 13.0103 13.0103 13.0288 13.0288 13.8508 13.8508 14.8644 14.8644 k = 0.0065 0.0065-0.0000 ( 1661 PWs) bands (ev): -44.5434 -44.5434 -44.4580 -44.4580 -21.2646 -21.2646 -20.9847 -20.9847 -20.6331 -20.6331 -20.4252 -20.4252 -20.3253 -20.3253 -20.2941 -20.2941 3.1321 3.1321 8.3629 8.3629 9.5988 9.5988 9.9654 9.9654 12.3117 12.3117 13.0112 13.0112 13.0291 13.0291 13.8495 13.8495 14.8674 14.8674 k = 0.0000 0.0000 0.0000 ( 1659 PWs) bands (ev): -44.5435 -44.5435 -44.4580 -44.4580 -21.2646 -21.2646 -20.9845 -20.9845 -20.6330 -20.6330 -20.4250 -20.4250 -20.3252 -20.3252 -20.2939 -20.2939 3.1306 3.1306 8.3643 8.3643 9.5973 9.5973 9.9646 9.9646 12.3108 12.3108 13.0114 13.0114 13.0293 13.0293 13.8491 13.8491 14.8685 14.8685 k = 0.0000 0.0000 0.0000 ( 1659 PWs) bands (ev): -44.5435 -44.5435 -44.4580 -44.4580 -21.2646 -21.2646 -20.9845 -20.9845 -20.6330 -20.6330 -20.4250 -20.4250 -20.3252 -20.3252 -20.2939 -20.2939 3.1306 3.1306 8.3643 8.3643 9.5973 9.5973 9.9646 9.9646 12.3108 12.3108 13.0114 13.0114 13.0293 13.0293 13.8491 13.8491 14.8685 14.8685 k = 0.0000 0.0000 0.0090 ( 1659 PWs) bands (ev): -44.5434 -44.5434 -44.4580 -44.4580 -21.2645 -21.2645 -20.9846 -20.9846 -20.6329 -20.6329 -20.4250 -20.4250 -20.3253 -20.3253 -20.2939 -20.2939 3.1322 3.1322 8.3545 8.3545 9.6056 9.6056 9.9656 9.9656 12.3102 12.3102 13.0122 13.0122 13.0302 13.0302 13.8475 13.8475 14.8688 14.8688 k = 0.0000 0.0000 0.0181 ( 1660 PWs) bands (ev): -44.5433 -44.5433 -44.4582 -44.4582 -21.2640 -21.2640 -20.9850 -20.9850 -20.6326 -20.6326 -20.4249 -20.4249 -20.3258 -20.3258 -20.2941 -20.2941 3.1371 3.1371 8.3259 8.3259 9.6297 9.6297 9.9686 9.9686 12.3083 12.3083 13.0148 13.0148 13.0327 13.0327 13.8427 13.8427 14.8696 14.8696 k = 0.0000 0.0000 0.0271 ( 1660 PWs) bands (ev): -44.5431 -44.5431 -44.4584 -44.4584 -21.2632 -21.2632 -20.9856 -20.9856 -20.6320 -20.6320 -20.4247 -20.4247 -20.3266 -20.3266 -20.2944 -20.2944 3.1452 3.1452 8.2804 8.2804 9.6675 9.6675 9.9736 9.9736 12.3052 12.3052 13.0190 13.0190 13.0369 13.0369 13.8347 13.8347 14.8710 14.8710 k = 0.0000 0.0000 0.0362 ( 1652 PWs) bands (ev): -44.5428 -44.5428 -44.4587 -44.4587 -21.2619 -21.2619 -20.9865 -20.9865 -20.6310 -20.6310 -20.4243 -20.4243 -20.3277 -20.3277 -20.2948 -20.2948 3.1565 3.1565 8.2209 8.2209 9.7166 9.7166 9.9806 9.9806 12.3008 12.3008 13.0249 13.0249 13.0429 13.0429 13.8235 13.8235 14.8730 14.8730 k = 0.0000 0.0000 0.0452 ( 1652 PWs) bands (ev): -44.5424 -44.5424 -44.4591 -44.4591 -21.2605 -21.2605 -20.9876 -20.9876 -20.6299 -20.6299 -20.4240 -20.4240 -20.3292 -20.3292 -20.2954 -20.2954 3.1711 3.1711 8.1498 8.1498 9.7742 9.7742 9.9896 9.9896 12.2950 12.2950 13.0325 13.0325 13.0505 13.0505 13.8092 13.8092 14.8756 14.8756 k = 0.0000 0.0000 0.0543 ( 1656 PWs) bands (ev): -44.5419 -44.5419 -44.4595 -44.4595 -21.2589 -21.2589 -20.9889 -20.9889 -20.6287 -20.6287 -20.4236 -20.4236 -20.3309 -20.3309 -20.2960 -20.2960 3.1889 3.1889 8.0695 8.0695 9.8382 9.8382 10.0006 10.0006 12.2878 12.2878 13.0417 13.0417 13.0598 13.0598 13.7918 13.7918 14.8787 14.8787 k = 0.0000 0.0000 0.0633 ( 1644 PWs) bands (ev): -44.5414 -44.5414 -44.4601 -44.4601 -21.2567 -21.2567 -20.9905 -20.9905 -20.6269 -20.6269 -20.4230 -20.4230 -20.3329 -20.3329 -20.2968 -20.2968 3.2099 3.2099 7.9821 7.9821 9.9066 9.9066 10.0136 10.0136 12.2792 12.2792 13.0526 13.0526 13.0708 13.0708 13.7713 13.7713 14.8823 14.8823 k = 0.0000 0.0000 0.0724 ( 1652 PWs) bands (ev): -44.5408 -44.5408 -44.4607 -44.4607 -21.2544 -21.2544 -20.9924 -20.9924 -20.6251 -20.6251 -20.4225 -20.4225 -20.3352 -20.3352 -20.2978 -20.2978 3.2341 3.2341 7.8889 7.8889 9.9781 9.9781 10.0285 10.0285 12.2690 12.2690 13.0652 13.0652 13.0834 13.0834 13.7477 13.7477 14.8866 14.8866 k = 0.0000 0.0000 0.0814 ( 1648 PWs) bands (ev): -44.5401 -44.5401 -44.4614 -44.4614 -21.2518 -21.2518 -20.9944 -20.9944 -20.6231 -20.6231 -20.4218 -20.4218 -20.3377 -20.3377 -20.2988 -20.2988 3.2614 3.2614 7.7911 7.7911 10.0453 10.0453 10.0516 10.0516 12.2571 12.2571 13.0794 13.0794 13.0977 13.0977 13.7213 13.7213 14.8913 14.8913 k = 0.0000 0.0000 0.0905 ( 1648 PWs) bands (ev): -44.5393 -44.5393 -44.4622 -44.4622 -21.2489 -21.2489 -20.9967 -20.9967 -20.6208 -20.6208 -20.4213 -20.4213 -20.3405 -20.3405 -20.2999 -20.2999 3.2919 3.2919 7.6897 7.6897 10.0641 10.0641 10.1264 10.1264 12.2437 12.2437 13.0952 13.0952 13.1137 13.1137 13.6918 13.6918 14.8966 14.8966 k = 0.0000 0.0000 0.0995 ( 1652 PWs) bands (ev): -44.5384 -44.5384 -44.4631 -44.4631 -21.2458 -21.2458 -20.9992 -20.9992 -20.6184 -20.6184 -20.4207 -20.4207 -20.3434 -20.3434 -20.3011 -20.3011 3.3255 3.3255 7.5853 7.5853 10.0847 10.0847 10.2018 10.2018 12.2285 12.2285 13.1126 13.1126 13.1312 13.1312 13.6596 13.6596 14.9024 14.9024 k = 0.0000 0.0000 0.1086 ( 1660 PWs) bands (ev): -44.5375 -44.5375 -44.4641 -44.4641 -21.2424 -21.2424 -21.0021 -21.0021 -20.6157 -20.6157 -20.4202 -20.4202 -20.3466 -20.3466 -20.3026 -20.3026 3.3622 3.3622 7.4786 7.4786 10.1072 10.1072 10.2774 10.2774 12.2116 12.2116 13.1316 13.1316 13.1504 13.1504 13.6246 13.6246 14.9087 14.9087 k = 0.0000 0.0000 0.1176 ( 1660 PWs) bands (ev): -44.5365 -44.5365 -44.4651 -44.4651 -21.2387 -21.2387 -21.0050 -21.0050 -20.6128 -20.6128 -20.4198 -20.4198 -20.3498 -20.3498 -20.3040 -20.3040 3.4020 3.4020 7.3700 7.3700 10.1315 10.1315 10.3528 10.3528 12.1931 12.1931 13.1521 13.1521 13.1711 13.1711 13.5870 13.5870 14.9155 14.9155 k = 0.0000 0.0000 0.1267 ( 1652 PWs) bands (ev): -44.5354 -44.5354 -44.4662 -44.4662 -21.2346 -21.2346 -21.0082 -21.0082 -20.6095 -20.6095 -20.4194 -20.4194 -20.3530 -20.3530 -20.3055 -20.3055 3.4449 3.4449 7.2599 7.2599 10.1576 10.1576 10.4276 10.4276 12.1730 12.1730 13.1741 13.1741 13.1934 13.1934 13.5468 13.5468 14.9228 14.9228 k = 0.0000 0.0000 0.1357 ( 1644 PWs) bands (ev): -44.5342 -44.5342 -44.4673 -44.4673 -21.2304 -21.2304 -21.0115 -21.0115 -20.6061 -20.6061 -20.4192 -20.4192 -20.3562 -20.3562 -20.3070 -20.3070 3.4908 3.4908 7.1486 7.1486 10.1855 10.1855 10.5017 10.5017 12.1514 12.1514 13.1976 13.1976 13.2173 13.2173 13.5041 13.5041 14.9306 14.9306 k = 0.0000 0.0000 0.1448 ( 1648 PWs) bands (ev): -44.5330 -44.5330 -44.4686 -44.4686 -21.2260 -21.2260 -21.0152 -21.0152 -20.6025 -20.6025 -20.4193 -20.4193 -20.3594 -20.3594 -20.3087 -20.3087 3.5396 3.5396 7.0365 7.0365 10.2151 10.2151 10.5747 10.5747 12.1284 12.1284 13.2224 13.2224 13.2426 13.2426 13.4593 13.4593 14.9388 14.9388 k = 0.0000 0.0000 0.1538 ( 1648 PWs) bands (ev): -44.5317 -44.5317 -44.4699 -44.4699 -21.2214 -21.2214 -21.0190 -21.0190 -20.5987 -20.5987 -20.4197 -20.4197 -20.3624 -20.3624 -20.3105 -20.3105 3.5914 3.5914 6.9236 6.9236 10.2463 10.2463 10.6463 10.6463 12.1044 12.1044 13.2482 13.2482 13.2694 13.2694 13.4126 13.4126 14.9474 14.9474 k = 0.0000 0.0000 0.1629 ( 1648 PWs) bands (ev): -44.5304 -44.5304 -44.4712 -44.4712 -21.2165 -21.2165 -21.0230 -21.0230 -20.5947 -20.5947 -20.4205 -20.4205 -20.3651 -20.3651 -20.3124 -20.3124 3.6461 3.6461 6.8104 6.8104 10.2791 10.2791 10.7163 10.7163 12.0797 12.0797 13.2737 13.2737 13.2977 13.2977 13.3654 13.3654 14.9555 14.9555 k = 0.0000 0.0000 0.1719 ( 1648 PWs) bands (ev): -44.5289 -44.5289 -44.4726 -44.4726 -21.2115 -21.2115 -21.0272 -21.0272 -20.5905 -20.5905 -20.4218 -20.4218 -20.3674 -20.3674 -20.3143 -20.3143 3.7037 3.7037 6.6970 6.6970 10.3135 10.3135 10.7841 10.7841 12.0546 12.0546 13.2861 13.2861 13.3273 13.3273 13.3306 13.3306 14.9089 14.9089 k = 0.0000 0.0000 0.1809 ( 1656 PWs) bands (ev): -44.5275 -44.5275 -44.4741 -44.4741 -21.2063 -21.2063 -21.0318 -21.0318 -20.5861 -20.5861 -20.4238 -20.4238 -20.3693 -20.3693 -20.3164 -20.3164 3.7641 3.7641 6.5835 6.5835 10.3494 10.3494 10.8494 10.8494 12.0299 12.0299 13.2483 13.2483 13.3453 13.3453 13.3583 13.3583 14.8582 14.8582 k = 0.0000 0.0000 0.1900 ( 1656 PWs) bands (ev): -44.5260 -44.5260 -44.4757 -44.4757 -21.2009 -21.2009 -21.0364 -21.0364 -20.5815 -20.5815 -20.4264 -20.4264 -20.3706 -20.3706 -20.3185 -20.3185 3.8272 3.8272 6.4702 6.4702 10.3867 10.3867 10.9115 10.9115 12.0062 12.0062 13.1952 13.1952 13.3749 13.3749 13.3905 13.3905 14.8068 14.8068 k = 0.0000 0.0000 0.1990 ( 1664 PWs) bands (ev): -44.5244 -44.5244 -44.4772 -44.4772 -21.1954 -21.1954 -21.0413 -21.0413 -20.5768 -20.5768 -20.4296 -20.4296 -20.3713 -20.3713 -20.3208 -20.3208 3.8931 3.8931 6.3571 6.3571 10.4253 10.4253 10.9694 10.9694 11.9845 11.9845 13.1386 13.1386 13.4073 13.4073 13.4240 13.4240 14.7549 14.7549 k = 0.0000 0.0000 0.2081 ( 1656 PWs) bands (ev): -44.5228 -44.5228 -44.4789 -44.4789 -21.1897 -21.1897 -21.0460 -21.0460 -20.5718 -20.5718 -20.4333 -20.4333 -20.3715 -20.3715 -20.3230 -20.3230 3.9618 3.9618 6.2446 6.2446 10.4652 10.4652 11.0222 11.0222 11.9660 11.9660 13.0800 13.0800 13.4414 13.4414 13.4585 13.4585 14.7028 14.7028 k = 0.0000 0.0000 0.2171 ( 1656 PWs) bands (ev): -44.5211 -44.5211 -44.4805 -44.4805 -21.1839 -21.1839 -21.0512 -21.0512 -20.5667 -20.5667 -20.4376 -20.4376 -20.3712 -20.3712 -20.3253 -20.3253 4.0330 4.0330 6.1326 6.1326 10.5062 10.5062 11.0685 11.0685 11.9521 11.9521 13.0198 13.0198 13.4766 13.4766 13.4940 13.4940 14.6508 14.6508 k = 0.0000 0.0000 0.2262 ( 1656 PWs) bands (ev): -44.5194 -44.5194 -44.4823 -44.4823 -21.1779 -21.1779 -21.0564 -21.0564 -20.5614 -20.5614 -20.4424 -20.4424 -20.3705 -20.3705 -20.3276 -20.3276 4.1068 4.1068 6.0213 6.0213 10.5483 10.5483 11.1068 11.1068 11.9446 11.9446 12.9581 12.9581 13.5129 13.5129 13.5303 13.5303 14.5990 14.5990 k = 0.0000 0.0000 0.2352 ( 1664 PWs) bands (ev): -44.5177 -44.5177 -44.4840 -44.4840 -21.1721 -21.1721 -21.0618 -21.0618 -20.5561 -20.5561 -20.4475 -20.4475 -20.3695 -20.3695 -20.3299 -20.3299 4.1831 4.1831 5.9108 5.9108 10.5913 10.5913 11.1358 11.1358 11.9450 11.9450 12.8953 12.8953 13.5499 13.5499 13.5673 13.5673 14.5478 14.5478 k = 0.0000 0.0000 0.2443 ( 1664 PWs) bands (ev): -44.5159 -44.5159 -44.4858 -44.4858 -21.1659 -21.1659 -21.0674 -21.0674 -20.5505 -20.5505 -20.4530 -20.4530 -20.3682 -20.3682 -20.3323 -20.3323 4.2619 4.2619 5.8014 5.8014 10.6350 10.6350 11.1542 11.1542 11.9545 11.9545 12.8315 12.8315 13.5874 13.5874 13.6047 13.6047 14.4974 14.4974 k = 0.0000 0.0000 0.2533 ( 1660 PWs) bands (ev): -44.5141 -44.5141 -44.4876 -44.4876 -21.1597 -21.1597 -21.0731 -21.0731 -20.5448 -20.5448 -20.4587 -20.4587 -20.3666 -20.3666 -20.3348 -20.3348 4.3431 4.3431 5.6930 5.6930 10.6795 10.6795 11.1616 11.1616 11.9739 11.9739 12.7668 12.7668 13.6250 13.6250 13.6421 13.6421 14.4485 14.4485 k = 0.0000 0.0000 0.2624 ( 1660 PWs) bands (ev): -44.5122 -44.5122 -44.4895 -44.4895 -21.1534 -21.1534 -21.0789 -21.0789 -20.5389 -20.5389 -20.4646 -20.4646 -20.3648 -20.3648 -20.3372 -20.3372 4.4266 4.4266 5.5859 5.5859 10.7243 10.7243 11.1583 11.1583 12.0028 12.0028 12.7016 12.7016 13.6625 13.6625 13.6790 13.6790 14.4014 14.4014 k = 0.0000 0.0000 0.2714 ( 1660 PWs) bands (ev): -44.5104 -44.5104 -44.4913 -44.4913 -21.1471 -21.1471 -21.0848 -21.0848 -20.5330 -20.5330 -20.4707 -20.4707 -20.3629 -20.3629 -20.3397 -20.3397 4.5125 4.5125 5.4800 5.4800 10.7695 10.7695 11.1455 11.1455 12.0404 12.0404 12.6359 12.6359 13.6990 13.6990 13.7146 13.7146 14.3571 14.3571 k = 0.0000 0.0000 0.2805 ( 1656 PWs) bands (ev): -44.5085 -44.5085 -44.4932 -44.4932 -21.1408 -21.1408 -21.0907 -21.0907 -20.5269 -20.5269 -20.4768 -20.4768 -20.3608 -20.3608 -20.3421 -20.3421 4.6005 4.6005 5.3755 5.3755 10.8146 10.8146 11.1246 11.1246 12.0853 12.0853 12.5701 12.5701 13.7337 13.7337 13.7480 13.7480 14.3166 14.3166 k = 0.0000 0.0000 0.2895 ( 1664 PWs) bands (ev): -44.5066 -44.5066 -44.4951 -44.4951 -21.1346 -21.1346 -21.0968 -21.0968 -20.5209 -20.5209 -20.4831 -20.4831 -20.3587 -20.3587 -20.3445 -20.3445 4.6907 4.6907 5.2725 5.2725 10.8594 10.8594 11.0972 11.0972 12.1360 12.1360 12.5044 12.5044 13.7652 13.7652 13.7774 13.7774 14.2816 14.2816 k = 0.0000 0.0000 0.2986 ( 1660 PWs) bands (ev): -44.5047 -44.5047 -44.4970 -44.4970 -21.1281 -21.1281 -21.1030 -21.1030 -20.5146 -20.5146 -20.4894 -20.4894 -20.3565 -20.3565 -20.3470 -20.3470 4.7829 4.7829 5.1710 5.1710 10.9037 10.9037 11.0646 11.0646 12.1914 12.1914 12.4391 12.4391 13.7915 13.7915 13.8007 13.8007 14.2544 14.2544 k = 0.0000 0.0000 0.3076 ( 1660 PWs) bands (ev): -44.5028 -44.5028 -44.4989 -44.4989 -21.1218 -21.1218 -21.1092 -21.1092 -20.5084 -20.5084 -20.4957 -20.4957 -20.3542 -20.3542 -20.3494 -20.3494 4.8771 4.8771 5.0713 5.0713 10.9469 10.9469 11.0280 11.0280 12.2502 12.2502 12.3747 12.3747 13.8102 13.8102 13.8151 13.8151 14.2377 14.2377 k = 0.0000 0.0000 0.3167 ( 1660 PWs) bands (ev): -44.5009 -44.5009 -44.5009 -44.5009 -21.1155 -21.1155 -21.1155 -21.1155 -20.5021 -20.5021 -20.5021 -20.5021 -20.3518 -20.3518 -20.3518 -20.3518 4.9733 4.9733 4.9733 4.9733 10.9885 10.9885 10.9885 10.9885 12.3115 12.3115 12.3115 12.3115 13.8185 13.8185 13.8185 13.8185 14.2336 14.2336 k = 0.0000 0.0000 0.3167 ( 1660 PWs) bands (ev): -44.5009 -44.5009 -44.5009 -44.5009 -21.1155 -21.1155 -21.1155 -21.1155 -20.5021 -20.5021 -20.5021 -20.5021 -20.3518 -20.3518 -20.3518 -20.3518 4.9733 4.9733 4.9733 4.9733 10.9885 10.9885 10.9885 10.9885 12.3115 12.3115 12.3115 12.3115 13.8185 13.8185 13.8185 13.8185 14.2336 14.2336 k = 0.0000 0.0093 0.3167 ( 1660 PWs) bands (ev): -44.5008 -44.5008 -44.5008 -44.5008 -21.1161 -21.1161 -21.1150 -21.1150 -20.5035 -20.5035 -20.5007 -20.5007 -20.3528 -20.3528 -20.3511 -20.3511 4.9735 4.9735 4.9750 4.9750 10.9887 10.9887 10.9893 10.9893 12.3104 12.3104 12.3115 12.3115 13.8179 13.8179 13.8205 13.8205 14.2330 14.2330 k = 0.0000 0.0185 0.3167 ( 1664 PWs) bands (ev): -44.5007 -44.5007 -44.5007 -44.5007 -21.1169 -21.1169 -21.1148 -21.1148 -20.5052 -20.5052 -20.4996 -20.4996 -20.3540 -20.3540 -20.3506 -20.3506 4.9743 4.9743 4.9800 4.9800 10.9892 10.9892 10.9917 10.9917 12.3071 12.3071 12.3115 12.3115 13.8162 13.8162 13.8262 13.8262 14.2311 14.2311 k = 0.0000 0.0278 0.3167 ( 1668 PWs) bands (ev): -44.5006 -44.5006 -44.5005 -44.5005 -21.1178 -21.1178 -21.1147 -21.1147 -20.5070 -20.5070 -20.4986 -20.4986 -20.3553 -20.3553 -20.3502 -20.3502 4.9756 4.9756 4.9882 4.9882 10.9901 10.9901 10.9956 10.9956 12.3017 12.3017 12.3114 12.3114 13.8135 13.8135 13.8357 13.8357 14.2280 14.2280 k = 0.0000 0.0370 0.3167 ( 1664 PWs) bands (ev): -44.5003 -44.5003 -44.5003 -44.5003 -21.1189 -21.1189 -21.1147 -21.1147 -20.5089 -20.5089 -20.4977 -20.4977 -20.3568 -20.3568 -20.3500 -20.3500 4.9773 4.9773 4.9998 4.9998 10.9913 10.9913 11.0011 11.0011 12.2944 12.2944 12.3112 12.3112 13.8096 13.8096 13.8487 13.8487 14.2236 14.2236 k = 0.0000 0.0463 0.3167 ( 1660 PWs) bands (ev): -44.5000 -44.5000 -44.4999 -44.4999 -21.1201 -21.1201 -21.1148 -21.1148 -20.5110 -20.5110 -20.4969 -20.4969 -20.3586 -20.3586 -20.3499 -20.3499 4.9796 4.9796 5.0146 5.0146 10.9928 10.9928 11.0081 11.0081 12.2854 12.2854 12.3109 12.3109 13.8046 13.8046 13.8651 13.8651 14.2180 14.2180 k = 0.0000 0.0556 0.3167 ( 1664 PWs) bands (ev): -44.4997 -44.4997 -44.4995 -44.4995 -21.1216 -21.1216 -21.1151 -21.1151 -20.5133 -20.5133 -20.4964 -20.4964 -20.3605 -20.3605 -20.3500 -20.3500 4.9823 4.9823 5.0327 5.0327 10.9945 10.9945 11.0167 11.0167 12.2749 12.2749 12.3106 12.3106 13.7984 13.7984 13.8848 13.8848 14.2112 14.2112 k = 0.0000 0.0648 0.3167 ( 1664 PWs) bands (ev): -44.4993 -44.4993 -44.4990 -44.4990 -21.1232 -21.1232 -21.1156 -21.1156 -20.5157 -20.5157 -20.4960 -20.4960 -20.3626 -20.3626 -20.3502 -20.3502 4.9854 4.9854 5.0540 5.0540 10.9964 10.9964 11.0268 11.0268 12.2631 12.2631 12.3100 12.3100 13.7912 13.7912 13.9074 13.9074 14.2031 14.2031 k = 0.0000 0.0741 0.3167 ( 1664 PWs) bands (ev): -44.4988 -44.4988 -44.4985 -44.4985 -21.1250 -21.1250 -21.1162 -21.1162 -20.5184 -20.5184 -20.4957 -20.4957 -20.3649 -20.3649 -20.3505 -20.3505 4.9889 4.9889 5.0784 5.0784 10.9983 10.9983 11.0383 11.0383 12.2505 12.2505 12.3093 12.3093 13.7828 13.7828 13.9328 13.9328 14.1937 14.1937 k = 0.0000 0.0833 0.3167 ( 1666 PWs) bands (ev): -44.4982 -44.4982 -44.4979 -44.4979 -21.1270 -21.1270 -21.1170 -21.1170 -20.5212 -20.5212 -20.4956 -20.4956 -20.3673 -20.3673 -20.3508 -20.3508 4.9927 4.9927 5.1060 5.1060 11.0002 11.0002 11.0513 11.0513 12.2371 12.2371 12.3083 12.3083 13.7733 13.7733 13.9607 13.9607 14.1831 14.1831 k = 0.0000 0.0926 0.3167 ( 1672 PWs) bands (ev): -44.4976 -44.4976 -44.4972 -44.4972 -21.1292 -21.1292 -21.1179 -21.1179 -20.5243 -20.5243 -20.4957 -20.4957 -20.3699 -20.3699 -20.3513 -20.3513 4.9969 4.9969 5.1367 5.1367 11.0020 11.0020 11.0656 11.0656 12.2234 12.2234 12.3072 12.3072 13.7626 13.7626 13.9908 13.9908 14.1712 14.1712 k = 0.0000 0.1019 0.3167 ( 1668 PWs) bands (ev): -44.4970 -44.4970 -44.4964 -44.4964 -21.1316 -21.1316 -21.1190 -21.1190 -20.5274 -20.5274 -20.4959 -20.4959 -20.3724 -20.3724 -20.3516 -20.3516 5.0013 5.0013 5.1704 5.1704 11.0036 11.0036 11.0813 11.0813 12.2096 12.2096 12.3057 12.3057 13.7509 13.7509 14.0228 14.0228 14.1582 14.1582 k = 0.0000 0.1111 0.3167 ( 1668 PWs) bands (ev): -44.4963 -44.4963 -44.4956 -44.4956 -21.1342 -21.1342 -21.1202 -21.1202 -20.5308 -20.5308 -20.4964 -20.4964 -20.3751 -20.3751 -20.3521 -20.3521 5.0059 5.0059 5.2071 5.2071 11.0048 11.0048 11.0984 11.0984 12.1961 12.1961 12.3040 12.3040 13.7380 13.7380 14.0565 14.0565 14.1442 14.1442 k = 0.0000 0.1204 0.3167 ( 1670 PWs) bands (ev): -44.4955 -44.4955 -44.4948 -44.4948 -21.1370 -21.1370 -21.1216 -21.1216 -20.5343 -20.5343 -20.4971 -20.4971 -20.3778 -20.3778 -20.3525 -20.3525 5.0107 5.0107 5.2467 5.2467 11.0056 11.0056 11.1167 11.1167 12.1829 12.1829 12.3020 12.3020 13.7240 13.7240 14.0906 14.0906 14.1300 14.1300 k = 0.0000 0.1296 0.3167 ( 1678 PWs) bands (ev): -44.4947 -44.4947 -44.4939 -44.4939 -21.1401 -21.1401 -21.1231 -21.1231 -20.5380 -20.5380 -20.4980 -20.4980 -20.3805 -20.3805 -20.3531 -20.3531 5.0156 5.0156 5.2892 5.2892 11.0056 11.0056 11.1362 11.1362 12.1705 12.1705 12.2998 12.2998 13.7089 13.7089 14.1065 14.1065 14.1345 14.1345 k = 0.0000 0.1389 0.3167 ( 1678 PWs) bands (ev): -44.4939 -44.4939 -44.4929 -44.4929 -21.1433 -21.1433 -21.1248 -21.1248 -20.5418 -20.5418 -20.4991 -20.4991 -20.3832 -20.3832 -20.3535 -20.3535 5.0206 5.0206 5.3344 5.3344 11.0048 11.0048 11.1569 11.1569 12.1590 12.1590 12.2974 12.2974 13.6928 13.6928 14.0914 14.0914 14.1700 14.1700 k = 0.0000 0.1481 0.3167 ( 1678 PWs) bands (ev): -44.4930 -44.4930 -44.4919 -44.4919 -21.1467 -21.1467 -21.1266 -21.1266 -20.5457 -20.5457 -20.5004 -20.5004 -20.3857 -20.3857 -20.3538 -20.3538 5.0256 5.0256 5.3823 5.3823 11.0030 11.0030 11.1786 11.1786 12.1486 12.1486 12.2949 12.2949 13.6757 13.6757 14.0729 14.0729 14.2089 14.2089 k = 0.0000 0.1574 0.3167 ( 1678 PWs) bands (ev): -44.4920 -44.4920 -44.4908 -44.4908 -21.1504 -21.1504 -21.1286 -21.1286 -20.5497 -20.5497 -20.5020 -20.5020 -20.3883 -20.3883 -20.3542 -20.3542 5.0305 5.0305 5.4328 5.4328 10.9999 10.9999 11.2015 11.2015 12.1394 12.1394 12.2923 12.2923 13.6576 13.6576 14.0531 14.0531 14.2490 14.2490 k = 0.0000 0.1667 0.3167 ( 1664 PWs) bands (ev): -44.4910 -44.4910 -44.4897 -44.4897 -21.1541 -21.1541 -21.1306 -21.1306 -20.5537 -20.5537 -20.5037 -20.5037 -20.3905 -20.3905 -20.3543 -20.3543 5.0354 5.0354 5.4859 5.4859 10.9954 10.9954 11.2253 11.2253 12.1317 12.1317 12.2897 12.2897 13.6386 13.6386 14.0322 14.0322 14.2901 14.2901 k = 0.0000 0.1759 0.3167 ( 1664 PWs) bands (ev): -44.4900 -44.4900 -44.4885 -44.4885 -21.1582 -21.1582 -21.1328 -21.1328 -20.5579 -20.5579 -20.5058 -20.5058 -20.3927 -20.3927 -20.3545 -20.3545 5.0401 5.0401 5.5413 5.5413 10.9893 10.9893 11.2500 11.2500 12.1256 12.1256 12.2874 12.2874 13.6187 13.6187 14.0104 14.0104 14.3318 14.3318 k = 0.0000 0.1852 0.3167 ( 1660 PWs) bands (ev): -44.4890 -44.4890 -44.4874 -44.4874 -21.1625 -21.1625 -21.1352 -21.1352 -20.5621 -20.5621 -20.5081 -20.5081 -20.3947 -20.3947 -20.3546 -20.3546 5.0446 5.0446 5.5991 5.5991 10.9814 10.9814 11.2756 11.2756 12.1211 12.1211 12.2853 12.2853 13.5980 13.5980 13.9877 13.9877 14.3741 14.3741 k = 0.0000 0.1944 0.3167 ( 1660 PWs) bands (ev): -44.4879 -44.4879 -44.4861 -44.4861 -21.1670 -21.1670 -21.1378 -21.1378 -20.5663 -20.5663 -20.5106 -20.5106 -20.3965 -20.3965 -20.3547 -20.3547 5.0489 5.0489 5.6591 5.6591 10.9714 10.9714 11.3021 11.3021 12.1184 12.1184 12.2837 12.2837 13.5765 13.5765 13.9643 13.9643 14.4166 14.4166 k = 0.0000 0.2037 0.3167 ( 1660 PWs) bands (ev): -44.4868 -44.4868 -44.4849 -44.4849 -21.1718 -21.1718 -21.1405 -21.1405 -20.5706 -20.5706 -20.5134 -20.5134 -20.3981 -20.3981 -20.3547 -20.3547 5.0530 5.0530 5.7212 5.7212 10.9592 10.9592 11.3293 11.3293 12.1175 12.1175 12.2826 12.2826 13.5544 13.5544 13.9403 13.9403 14.4442 14.4442 k = 0.0000 0.2130 0.3167 ( 1666 PWs) bands (ev): -44.4857 -44.4857 -44.4837 -44.4837 -21.1767 -21.1767 -21.1433 -21.1433 -20.5749 -20.5749 -20.5165 -20.5165 -20.3996 -20.3996 -20.3546 -20.3546 5.0567 5.0567 5.7853 5.7853 10.9447 10.9447 11.3572 11.3572 12.1184 12.1184 12.2823 12.2823 13.5317 13.5317 13.9158 13.9158 14.4733 14.4733 k = 0.0000 0.2222 0.3167 ( 1670 PWs) bands (ev): -44.4846 -44.4846 -44.4824 -44.4824 -21.1819 -21.1819 -21.1463 -21.1463 -20.5792 -20.5792 -20.5197 -20.5197 -20.4009 -20.4009 -20.3545 -20.3545 5.0602 5.0602 5.8513 5.8513 10.9276 10.9276 11.3858 11.3858 12.1211 12.1211 12.2829 12.2829 13.5085 13.5085 13.8908 13.8908 14.5044 14.5044 k = 0.0000 0.2315 0.3167 ( 1670 PWs) bands (ev): -44.4835 -44.4835 -44.4811 -44.4811 -21.1871 -21.1871 -21.1494 -21.1494 -20.5833 -20.5833 -20.5230 -20.5230 -20.4020 -20.4020 -20.3543 -20.3543 5.0633 5.0633 5.9190 5.9190 10.9078 10.9078 11.4150 11.4150 12.1256 12.1256 12.2844 12.2844 13.4849 13.4849 13.8655 13.8655 14.5374 14.5374 k = 0.0000 0.2407 0.3167 ( 1670 PWs) bands (ev): -44.4823 -44.4823 -44.4798 -44.4798 -21.1926 -21.1926 -21.1526 -21.1526 -20.5874 -20.5874 -20.5264 -20.5264 -20.4029 -20.4029 -20.3540 -20.3540 5.0660 5.0660 5.9884 5.9884 10.8854 10.8854 11.4447 11.4447 12.1318 12.1318 12.2870 12.2870 13.4610 13.4610 13.8399 13.8399 14.5724 14.5724 k = 0.0000 0.2500 0.3167 ( 1668 PWs) bands (ev): -44.4812 -44.4812 -44.4785 -44.4785 -21.1981 -21.1981 -21.1558 -21.1558 -20.5914 -20.5914 -20.5300 -20.5300 -20.4036 -20.4036 -20.3537 -20.3537 5.0684 5.0684 6.0593 6.0593 10.8601 10.8601 11.4750 11.4750 12.1397 12.1397 12.2907 12.2907 13.4369 13.4369 13.8143 13.8143 14.6091 14.6091 k = 0.0000 0.2593 0.3167 ( 1672 PWs) bands (ev): -44.4800 -44.4800 -44.4772 -44.4772 -21.2039 -21.2039 -21.1592 -21.1592 -20.5953 -20.5953 -20.5336 -20.5336 -20.4042 -20.4042 -20.3534 -20.3534 5.0703 5.0703 6.1315 6.1315 10.8321 10.8321 11.5058 11.5058 12.1492 12.1492 12.2956 12.2956 13.4126 13.4126 13.7886 13.7886 14.6474 14.6474 k = 0.0000 0.2685 0.3167 ( 1680 PWs) bands (ev): -44.4789 -44.4789 -44.4759 -44.4759 -21.2097 -21.2097 -21.1627 -21.1627 -20.5992 -20.5992 -20.5373 -20.5373 -20.4047 -20.4047 -20.3530 -20.3530 5.0719 5.0719 6.2049 6.2049 10.8014 10.8014 11.5370 11.5370 12.1601 12.1601 12.3017 12.3017 13.3883 13.3883 13.7629 13.7629 14.6871 14.6871 k = 0.0000 0.2778 0.3167 ( 1674 PWs) bands (ev): -44.4777 -44.4777 -44.4746 -44.4746 -21.2156 -21.2156 -21.1662 -21.1662 -20.6028 -20.6028 -20.5409 -20.5409 -20.4049 -20.4049 -20.3525 -20.3525 5.0731 5.0731 6.2794 6.2794 10.7679 10.7679 11.5687 11.5687 12.1722 12.1722 12.3088 12.3088 13.3641 13.3641 13.7375 13.7375 14.7282 14.7282 k = 0.0000 0.2870 0.3167 ( 1674 PWs) bands (ev): -44.4766 -44.4766 -44.4733 -44.4733 -21.2215 -21.2215 -21.1697 -21.1697 -20.6063 -20.6063 -20.5446 -20.5446 -20.4051 -20.4051 -20.3520 -20.3520 5.0740 5.0740 6.3548 6.3548 10.7319 10.7319 11.6007 11.6007 12.1856 12.1856 12.3171 12.3171 13.3401 13.3401 13.7123 13.7123 14.7703 14.7703 k = 0.0000 0.2963 0.3167 ( 1674 PWs) bands (ev): -44.4755 -44.4755 -44.4720 -44.4720 -21.2275 -21.2275 -21.1733 -21.1733 -20.6096 -20.6096 -20.5482 -20.5482 -20.4052 -20.4052 -20.3515 -20.3515 5.0744 5.0744 6.4308 6.4308 10.6934 10.6934 11.6329 11.6329 12.1999 12.1999 12.3264 12.3264 13.3163 13.3163 13.6875 13.6875 14.8133 14.8133 k = 0.0000 0.3056 0.3167 ( 1672 PWs) bands (ev): -44.4744 -44.4744 -44.4708 -44.4708 -21.2334 -21.2334 -21.1769 -21.1769 -20.6128 -20.6128 -20.5517 -20.5517 -20.4051 -20.4051 -20.3509 -20.3509 5.0745 5.0745 6.5074 6.5074 10.6527 10.6527 11.6655 11.6655 12.2150 12.2150 12.3366 12.3366 13.2930 13.2930 13.6631 13.6631 14.8570 14.8570 k = 0.0000 0.3148 0.3167 ( 1674 PWs) bands (ev): -44.4733 -44.4733 -44.4696 -44.4696 -21.2394 -21.2394 -21.1806 -21.1806 -20.6159 -20.6159 -20.5552 -20.5552 -20.4051 -20.4051 -20.3504 -20.3504 5.0743 5.0743 6.5843 6.5843 10.6098 10.6098 11.6982 11.6982 12.2307 12.2307 12.3476 12.3476 13.2700 13.2700 13.6392 13.6392 14.9012 14.9012 k = 0.0000 0.3241 0.3167 ( 1674 PWs) bands (ev): -44.4723 -44.4723 -44.4684 -44.4684 -21.2453 -21.2453 -21.1842 -21.1842 -20.6188 -20.6188 -20.5585 -20.5585 -20.4049 -20.4049 -20.3498 -20.3498 5.0738 5.0738 6.6613 6.6613 10.5651 10.5651 11.7309 11.7309 12.2468 12.2468 12.3593 12.3593 13.2476 13.2476 13.6160 13.6160 14.9455 14.9455 k = 0.0000 0.3333 0.3167 ( 1666 PWs) bands (ev): -44.4713 -44.4713 -44.4672 -44.4672 -21.2510 -21.2510 -21.1876 -21.1876 -20.6214 -20.6214 -20.5617 -20.5617 -20.4047 -20.4047 -20.3491 -20.3491 5.0731 5.0731 6.7383 6.7383 10.5188 10.5188 11.7637 11.7637 12.2631 12.2631 12.3715 12.3715 13.2258 13.2258 13.5935 13.5935 14.9897 14.9897 k = 0.0000 0.3426 0.3167 ( 1670 PWs) bands (ev): -44.4703 -44.4703 -44.4661 -44.4661 -21.2567 -21.2567 -21.1912 -21.1912 -20.6240 -20.6240 -20.5649 -20.5649 -20.4045 -20.4045 -20.3486 -20.3486 5.0721 5.0721 6.8148 6.8148 10.4710 10.4710 11.7963 11.7963 12.2795 12.2795 12.3841 12.3841 13.2047 13.2047 13.5718 13.5718 15.0331 15.0331 k = 0.0000 0.3519 0.3167 ( 1674 PWs) bands (ev): -44.4694 -44.4694 -44.4651 -44.4651 -21.2623 -21.2623 -21.1947 -21.1947 -20.6264 -20.6264 -20.5679 -20.5679 -20.4043 -20.4043 -20.3480 -20.3480 5.0708 5.0708 6.8907 6.8907 10.4222 10.4222 11.8287 11.8287 12.2957 12.2957 12.3969 12.3969 13.1844 13.1844 13.5510 13.5510 15.0588 15.0588 k = 0.0000 0.3611 0.3167 ( 1670 PWs) bands (ev): -44.4684 -44.4684 -44.4640 -44.4640 -21.2676 -21.2676 -21.1980 -21.1980 -20.6286 -20.6286 -20.5706 -20.5706 -20.4040 -20.4040 -20.3474 -20.3474 5.0695 5.0695 6.9658 6.9658 10.3726 10.3726 11.8608 11.8608 12.3116 12.3116 12.4098 12.4098 13.1650 13.1650 13.5310 13.5310 15.0619 15.0619 k = 0.0000 0.3704 0.3167 ( 1680 PWs) bands (ev): -44.4676 -44.4676 -44.4631 -44.4631 -21.2729 -21.2729 -21.2013 -21.2013 -20.6307 -20.6307 -20.5734 -20.5734 -20.4037 -20.4037 -20.3469 -20.3469 5.0680 5.0680 7.0396 7.0396 10.3225 10.3225 11.8922 11.8922 12.3270 12.3270 12.4227 12.4227 13.1465 13.1465 13.5121 13.5121 15.0639 15.0639 k = 0.0000 0.3796 0.3167 ( 1684 PWs) bands (ev): -44.4668 -44.4668 -44.4621 -44.4621 -21.2780 -21.2780 -21.2044 -21.2044 -20.6326 -20.6326 -20.5759 -20.5759 -20.4035 -20.4035 -20.3463 -20.3463 5.0663 5.0663 7.1118 7.1118 10.2723 10.2723 11.9230 11.9230 12.3417 12.3417 12.4354 12.4354 13.1290 13.1290 13.4942 13.4942 15.0657 15.0657 k = 0.0000 0.3889 0.3167 ( 1680 PWs) bands (ev): -44.4660 -44.4660 -44.4613 -44.4613 -21.2827 -21.2827 -21.2074 -21.2074 -20.6343 -20.6343 -20.5782 -20.5782 -20.4031 -20.4031 -20.3458 -20.3458 5.0647 5.0647 7.1820 7.1820 10.2225 10.2225 11.9529 11.9529 12.3556 12.3556 12.4477 12.4477 13.1125 13.1125 13.4774 13.4774 15.0674 15.0674 k = 0.0000 0.3981 0.3167 ( 1684 PWs) bands (ev): -44.4653 -44.4653 -44.4605 -44.4605 -21.2871 -21.2871 -21.2102 -21.2102 -20.6359 -20.6359 -20.5803 -20.5803 -20.4029 -20.4029 -20.3453 -20.3453 5.0630 5.0630 7.2499 7.2499 10.1733 10.1733 11.9817 11.9817 12.3686 12.3686 12.4596 12.4596 13.0972 13.0972 13.4617 13.4617 15.0690 15.0690 k = 0.0000 0.4074 0.3167 ( 1684 PWs) bands (ev): -44.4646 -44.4646 -44.4597 -44.4597 -21.2913 -21.2913 -21.2128 -21.2128 -20.6373 -20.6373 -20.5823 -20.5823 -20.4026 -20.4026 -20.3449 -20.3449 5.0613 5.0613 7.3149 7.3149 10.1254 10.1254 12.0093 12.0093 12.3806 12.3806 12.4709 12.4709 13.0830 13.0830 13.4472 13.4472 15.0706 15.0706 k = 0.0000 0.4167 0.3167 ( 1684 PWs) bands (ev): -44.4640 -44.4640 -44.4590 -44.4590 -21.2951 -21.2951 -21.2152 -21.2152 -20.6386 -20.6386 -20.5841 -20.5841 -20.4023 -20.4023 -20.3444 -20.3444 5.0597 5.0597 7.3765 7.3765 10.0793 10.0793 12.0353 12.0353 12.3914 12.3914 12.4815 12.4815 13.0700 13.0700 13.4340 13.4340 15.0720 15.0720 k = 0.0000 0.4259 0.3167 ( 1684 PWs) bands (ev): -44.4635 -44.4635 -44.4584 -44.4584 -21.2986 -21.2986 -21.2175 -21.2175 -20.6397 -20.6397 -20.5856 -20.5856 -20.4021 -20.4021 -20.3440 -20.3440 5.0581 5.0581 7.4342 7.4342 10.0354 10.0354 12.0595 12.0595 12.4010 12.4010 12.4913 12.4913 13.0583 13.0583 13.4221 13.4221 15.0734 15.0734 k = 0.0000 0.4352 0.3167 ( 1684 PWs) bands (ev): -44.4630 -44.4630 -44.4578 -44.4578 -21.3017 -21.3017 -21.2194 -21.2194 -20.6407 -20.6407 -20.5870 -20.5870 -20.4018 -20.4018 -20.3436 -20.3436 5.0567 5.0567 7.4874 7.4874 9.9945 9.9945 12.0817 12.0817 12.4094 12.4094 12.5001 12.5001 13.0478 13.0478 13.4115 13.4115 15.0746 15.0746 k = 0.0000 0.4444 0.3167 ( 1684 PWs) bands (ev): -44.4626 -44.4626 -44.4574 -44.4574 -21.3044 -21.3044 -21.2212 -21.2212 -20.6416 -20.6416 -20.5883 -20.5883 -20.4016 -20.4016 -20.3433 -20.3433 5.0553 5.0553 7.5353 7.5353 9.9571 9.9571 12.1017 12.1017 12.4165 12.4165 12.5080 12.5080 13.0387 13.0387 13.4023 13.4023 15.0757 15.0757 k = 0.0000 0.4537 0.3167 ( 1692 PWs) bands (ev): -44.4622 -44.4622 -44.4570 -44.4570 -21.3069 -21.3069 -21.2228 -21.2228 -20.6423 -20.6423 -20.5894 -20.5894 -20.4014 -20.4014 -20.3431 -20.3431 5.0542 5.0542 7.5774 7.5774 9.9240 9.9240 12.1191 12.1191 12.4224 12.4224 12.5148 12.5148 13.0309 13.0309 13.3944 13.3944 15.0766 15.0766 k = 0.0000 0.4630 0.3167 ( 1692 PWs) bands (ev): -44.4619 -44.4619 -44.4566 -44.4566 -21.3088 -21.3088 -21.2240 -21.2240 -20.6429 -20.6429 -20.5902 -20.5902 -20.4013 -20.4013 -20.3428 -20.3428 5.0532 5.0532 7.6130 7.6130 9.8958 9.8958 12.1338 12.1338 12.4271 12.4271 12.5204 12.5204 13.0246 13.0246 13.3880 13.3880 15.0774 15.0774 k = 0.0000 0.4722 0.3167 ( 1692 PWs) bands (ev): -44.4617 -44.4617 -44.4563 -44.4563 -21.3104 -21.3104 -21.2250 -21.2250 -20.6434 -20.6434 -20.5908 -20.5908 -20.4012 -20.4012 -20.3426 -20.3426 5.0524 5.0524 7.6415 7.6415 9.8730 9.8730 12.1455 12.1455 12.4307 12.4307 12.5249 12.5249 13.0196 13.0196 13.3829 13.3829 15.0781 15.0781 k = 0.0000 0.4815 0.3167 ( 1692 PWs) bands (ev): -44.4615 -44.4615 -44.4562 -44.4562 -21.3114 -21.3114 -21.2257 -21.2257 -20.6437 -20.6437 -20.5913 -20.5913 -20.4011 -20.4011 -20.3425 -20.3425 5.0519 5.0519 7.6622 7.6622 9.8563 9.8563 12.1540 12.1540 12.4332 12.4332 12.5281 12.5281 13.0160 13.0160 13.3793 13.3793 15.0785 15.0785 k = 0.0000 0.4907 0.3167 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3121 -21.3121 -21.2261 -21.2261 -20.6439 -20.6439 -20.5916 -20.5916 -20.4010 -20.4010 -20.3425 -20.3425 5.0515 5.0515 7.6749 7.6749 9.8461 9.8461 12.1592 12.1592 12.4347 12.4347 12.5300 12.5300 13.0138 13.0138 13.3771 13.3771 15.0788 15.0788 k = 0.0000 0.5000 0.3167 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3123 -21.3123 -21.2263 -21.2263 -20.6439 -20.6439 -20.5917 -20.5917 -20.4010 -20.4010 -20.3424 -20.3424 5.0514 5.0514 7.6791 7.6791 9.8427 9.8427 12.1610 12.1610 12.4351 12.4351 12.5307 12.5307 13.0131 13.0131 13.3764 13.3764 15.0789 15.0789 k = 0.0000 0.5000 0.3167 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3123 -21.3123 -21.2263 -21.2263 -20.6439 -20.6439 -20.5917 -20.5917 -20.4010 -20.4010 -20.3424 -20.3424 5.0514 5.0514 7.6791 7.6791 9.8427 9.8427 12.1610 12.1610 12.4351 12.4351 12.5307 12.5307 13.0131 13.0131 13.3764 13.3764 15.0789 15.0789 k = 0.0093 0.5000 0.3167 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3123 -21.3123 -21.2263 -21.2263 -20.6440 -20.6440 -20.5917 -20.5917 -20.4012 -20.4012 -20.3426 -20.3426 5.0528 5.0528 7.6784 7.6784 9.8442 9.8442 12.1625 12.1625 12.4315 12.4315 12.5321 12.5321 13.0100 13.0100 13.3765 13.3765 15.0801 15.0801 k = 0.0185 0.5000 0.3167 ( 1688 PWs) bands (ev): -44.4612 -44.4612 -44.4559 -44.4559 -21.3121 -21.3121 -21.2262 -21.2262 -20.6441 -20.6441 -20.5917 -20.5917 -20.4019 -20.4019 -20.3432 -20.3432 5.0570 5.0570 7.6764 7.6764 9.8487 9.8487 12.1673 12.1673 12.4206 12.4206 12.5366 12.5366 13.0006 13.0006 13.3768 13.3768 15.0836 15.0836 k = 0.0278 0.5000 0.3167 ( 1688 PWs) bands (ev): -44.4611 -44.4611 -44.4557 -44.4557 -21.3119 -21.3119 -21.2262 -21.2262 -20.6444 -20.6444 -20.5918 -20.5918 -20.4030 -20.4030 -20.3442 -20.3442 5.0639 5.0639 7.6730 7.6730 9.8563 9.8563 12.1752 12.1752 12.4028 12.4028 12.5439 12.5439 12.9851 12.9851 13.3770 13.3770 15.0895 15.0895 k = 0.0370 0.5000 0.3167 ( 1688 PWs) bands (ev): -44.4608 -44.4608 -44.4555 -44.4555 -21.3117 -21.3117 -21.2263 -21.2263 -20.6448 -20.6448 -20.5920 -20.5920 -20.4046 -20.4046 -20.3457 -20.3457 5.0736 5.0736 7.6682 7.6682 9.8668 9.8668 12.1862 12.1862 12.3785 12.3785 12.5543 12.5543 12.9635 12.9635 13.3766 13.3766 15.0978 15.0978 k = 0.0463 0.5000 0.3167 ( 1692 PWs) bands (ev): -44.4605 -44.4605 -44.4552 -44.4552 -21.3114 -21.3114 -21.2263 -21.2263 -20.6453 -20.6453 -20.5922 -20.5922 -20.4066 -20.4066 -20.3475 -20.3475 5.0860 5.0860 7.6621 7.6621 9.8803 9.8803 12.2003 12.2003 12.3485 12.3485 12.5675 12.5675 12.9362 12.9362 13.3751 13.3751 15.1084 15.1084 k = 0.0556 0.5000 0.3167 ( 1688 PWs) bands (ev): -44.4601 -44.4601 -44.4549 -44.4549 -21.3110 -21.3110 -21.2264 -21.2264 -20.6459 -20.6459 -20.5924 -20.5924 -20.4089 -20.4089 -20.3496 -20.3496 5.1010 5.1010 7.6547 7.6547 9.8967 9.8967 12.2176 12.2176 12.3135 12.3135 12.5837 12.5837 12.9033 12.9033 13.3721 13.3721 15.1215 15.1215 k = 0.0648 0.5000 0.3167 ( 1688 PWs) bands (ev): -44.4596 -44.4596 -44.4544 -44.4544 -21.3105 -21.3105 -21.2265 -21.2265 -20.6466 -20.6466 -20.5927 -20.5927 -20.4117 -20.4117 -20.3522 -20.3522 5.1188 5.1188 7.6460 7.6460 9.9160 9.9160 12.2379 12.2379 12.2740 12.2740 12.6027 12.6027 12.8651 12.8651 13.3671 13.3671 15.1370 15.1370 k = 0.0741 0.5000 0.3167 ( 1692 PWs) bands (ev): -44.4591 -44.4591 -44.4540 -44.4540 -21.3100 -21.3100 -21.2266 -21.2266 -20.6474 -20.6474 -20.5931 -20.5931 -20.4149 -20.4149 -20.3552 -20.3552 5.1392 5.1392 7.6361 7.6361 9.9382 9.9382 12.2306 12.2306 12.2613 12.2613 12.6246 12.6246 12.8221 12.8221 13.3597 13.3597 15.1549 15.1549 k = 0.0833 0.5000 0.3167 ( 1692 PWs) bands (ev): -44.4585 -44.4585 -44.4535 -44.4535 -21.3094 -21.3094 -21.2267 -21.2267 -20.6483 -20.6483 -20.5935 -20.5935 -20.4185 -20.4185 -20.3584 -20.3584 5.1621 5.1621 7.6250 7.6250 9.9631 9.9631 12.1842 12.1842 12.2877 12.2877 12.6491 12.6491 12.7746 12.7746 13.3496 13.3496 15.1752 15.1752 k = 0.0926 0.5000 0.3167 ( 1684 PWs) bands (ev): -44.4578 -44.4578 -44.4529 -44.4529 -21.3087 -21.3087 -21.2267 -21.2267 -20.6493 -20.6493 -20.5939 -20.5939 -20.4223 -20.4223 -20.3620 -20.3620 5.1876 5.1876 7.6128 7.6128 9.9908 9.9908 12.1352 12.1352 12.3170 12.3170 12.6756 12.6756 12.7239 12.7239 13.3365 13.3365 15.1979 15.1979 k = 0.1019 0.5000 0.3167 ( 1680 PWs) bands (ev): -44.4571 -44.4571 -44.4522 -44.4522 -21.3080 -21.3080 -21.2269 -21.2269 -20.6504 -20.6504 -20.5944 -20.5944 -20.4264 -20.4264 -20.3658 -20.3658 5.2155 5.2155 7.5995 7.5995 10.0211 10.0211 12.0841 12.0841 12.3493 12.3493 12.6646 12.6646 12.7097 12.7097 13.3205 13.3205 15.2228 15.2228 k = 0.1111 0.5000 0.3167 ( 1684 PWs) bands (ev): -44.4563 -44.4563 -44.4515 -44.4515 -21.3072 -21.3072 -21.2271 -21.2271 -20.6517 -20.6517 -20.5950 -20.5950 -20.4309 -20.4309 -20.3701 -20.3701 5.2458 5.2458 7.5852 7.5852 10.0540 10.0540 12.0314 12.0314 12.3844 12.3844 12.6069 12.6069 12.7415 12.7415 13.3014 13.3014 15.2500 15.2500 k = 0.1204 0.5000 0.3167 ( 1688 PWs) bands (ev): -44.4555 -44.4555 -44.4508 -44.4508 -21.3065 -21.3065 -21.2274 -21.2274 -20.6531 -20.6531 -20.5956 -20.5956 -20.4356 -20.4356 -20.3745 -20.3745 5.2783 5.2783 7.5699 7.5699 10.0894 10.0894 11.9774 11.9774 12.4220 12.4220 12.5454 12.5454 12.7770 12.7770 13.2795 13.2795 15.2790 15.2790 k = 0.1296 0.5000 0.3167 ( 1684 PWs) bands (ev): -44.4546 -44.4546 -44.4500 -44.4500 -21.3057 -21.3057 -21.2277 -21.2277 -20.6546 -20.6546 -20.5964 -20.5964 -20.4405 -20.4405 -20.3792 -20.3792 5.3132 5.3132 7.5537 7.5537 10.1272 10.1272 11.9224 11.9224 12.4581 12.4581 12.4854 12.4854 12.8153 12.8153 13.2547 13.2547 15.3052 15.3052 k = 0.1389 0.5000 0.3167 ( 1680 PWs) bands (ev): -44.4536 -44.4536 -44.4492 -44.4492 -21.3048 -21.3048 -21.2281 -21.2281 -20.6561 -20.6561 -20.5972 -20.5972 -20.4455 -20.4455 -20.3840 -20.3840 5.3501 5.3501 7.5366 7.5366 10.1673 10.1673 11.8669 11.8669 12.4115 12.4115 12.5086 12.5086 12.8560 12.8560 13.2272 13.2272 15.3013 15.3013 k = 0.1481 0.5000 0.3167 ( 1680 PWs) bands (ev): -44.4526 -44.4526 -44.4483 -44.4483 -21.3040 -21.3040 -21.2286 -21.2286 -20.6578 -20.6578 -20.5981 -20.5981 -20.4508 -20.4508 -20.3891 -20.3891 5.3891 5.3891 7.5188 7.5188 10.2097 10.2097 11.8109 11.8109 12.3433 12.3433 12.5540 12.5540 12.8992 12.8992 13.1973 13.1973 15.2876 15.2876 k = 0.1574 0.5000 0.3167 ( 1680 PWs) bands (ev): -44.4516 -44.4516 -44.4474 -44.4474 -21.3031 -21.3031 -21.2291 -21.2291 -20.6596 -20.6596 -20.5991 -20.5991 -20.4561 -20.4561 -20.3943 -20.3943 5.4301 5.4301 7.5003 7.5003 10.2542 10.2542 11.7549 11.7549 12.2732 12.2732 12.6024 12.6024 12.9447 12.9447 13.1652 13.1652 15.2723 15.2723 k = 0.1667 0.5000 0.3167 ( 1680 PWs) bands (ev): -44.4505 -44.4505 -44.4465 -44.4465 -21.3022 -21.3022 -21.2297 -21.2297 -20.6615 -20.6615 -20.6002 -20.6002 -20.4615 -20.4615 -20.3997 -20.3997 5.4729 5.4729 7.4812 7.4812 10.3007 10.3007 11.6989 11.6989 12.2018 12.2018 12.6534 12.6534 12.9920 12.9920 13.1314 13.1314 15.2561 15.2561 k = 0.1759 0.5000 0.3167 ( 1676 PWs) bands (ev): -44.4494 -44.4494 -44.4455 -44.4455 -21.3014 -21.3014 -21.2305 -21.2305 -20.6635 -20.6635 -20.6014 -20.6014 -20.4668 -20.4668 -20.4051 -20.4051 5.5174 5.5174 7.4615 7.4615 10.3492 10.3492 11.6431 11.6431 12.1295 12.1295 12.7066 12.7066 13.0400 13.0400 13.0971 13.0971 15.2391 15.2391 k = 0.1852 0.5000 0.3167 ( 1672 PWs) bands (ev): -44.4483 -44.4483 -44.4445 -44.4445 -21.3005 -21.3005 -21.2312 -21.2312 -20.6655 -20.6655 -20.6028 -20.6028 -20.4722 -20.4722 -20.4106 -20.4106 5.5636 5.5636 7.4414 7.4414 10.3994 10.3994 11.5878 11.5878 12.0566 12.0566 12.7619 12.7619 13.0526 13.0526 13.0986 13.0986 15.2216 15.2216 k = 0.1944 0.5000 0.3167 ( 1672 PWs) bands (ev): -44.4471 -44.4471 -44.4435 -44.4435 -21.2996 -21.2996 -21.2322 -21.2322 -20.6677 -20.6677 -20.6043 -20.6043 -20.4775 -20.4775 -20.4162 -20.4162 5.6112 5.6112 7.4208 7.4208 10.4514 10.4514 11.5330 11.5330 11.9835 11.9835 12.8192 12.8192 13.0164 13.0164 13.1492 13.1492 15.2035 15.2035 k = 0.2037 0.5000 0.3167 ( 1672 PWs) bands (ev): -44.4459 -44.4459 -44.4424 -44.4424 -21.2989 -21.2989 -21.2332 -21.2332 -20.6699 -20.6699 -20.6059 -20.6059 -20.4828 -20.4828 -20.4218 -20.4218 5.6602 5.6602 7.3999 7.3999 10.5049 10.5049 11.4789 11.4789 11.9105 11.9105 12.8780 12.8780 12.9772 12.9772 13.2034 13.2034 15.1851 15.1851 k = 0.2130 0.5000 0.3167 ( 1672 PWs) bands (ev): -44.4447 -44.4447 -44.4413 -44.4413 -21.2981 -21.2981 -21.2344 -21.2344 -20.6722 -20.6722 -20.6077 -20.6077 -20.4878 -20.4878 -20.4275 -20.4275 5.7105 5.7105 7.3788 7.3788 10.5598 10.5598 11.4257 11.4257 11.8377 11.8377 12.9279 12.9279 12.9473 12.9473 13.2591 13.2591 15.1665 15.1665 k = 0.2222 0.5000 0.3167 ( 1672 PWs) bands (ev): -44.4434 -44.4434 -44.4403 -44.4403 -21.2974 -21.2974 -21.2357 -21.2357 -20.6745 -20.6745 -20.6097 -20.6097 -20.4928 -20.4928 -20.4330 -20.4330 5.7618 5.7618 7.3574 7.3574 10.6162 10.6162 11.3733 11.3733 11.7654 11.7654 12.8932 12.8932 13.0027 13.0027 13.3156 13.3156 15.1480 15.1480 k = 0.2315 0.5000 0.3167 ( 1672 PWs) bands (ev): -44.4422 -44.4422 -44.4392 -44.4392 -21.2967 -21.2967 -21.2371 -21.2371 -20.6768 -20.6768 -20.6119 -20.6119 -20.4975 -20.4975 -20.4386 -20.4386 5.8141 5.8141 7.3360 7.3360 10.6737 10.6737 11.3220 11.3220 11.6938 11.6938 12.8516 12.8516 13.0655 13.0655 13.3726 13.3726 15.1297 15.1297 k = 0.2407 0.5000 0.3167 ( 1672 PWs) bands (ev): -44.4409 -44.4409 -44.4380 -44.4380 -21.2961 -21.2961 -21.2387 -21.2387 -20.6792 -20.6792 -20.6141 -20.6141 -20.5021 -20.5021 -20.4441 -20.4441 5.8672 5.8672 7.3146 7.3146 10.7323 10.7323 11.2717 11.2717 11.6233 11.6233 12.8094 12.8094 13.1293 13.1293 13.4297 13.4297 15.1119 15.1119 k = 0.2500 0.5000 0.3167 ( 1664 PWs) bands (ev): -44.4396 -44.4396 -44.4369 -44.4369 -21.2955 -21.2955 -21.2403 -21.2403 -20.6815 -20.6815 -20.6166 -20.6166 -20.5064 -20.5064 -20.4494 -20.4494 5.9210 5.9210 7.2932 7.2932 10.7918 10.7918 11.2227 11.2227 11.5538 11.5538 12.7671 12.7671 13.1936 13.1936 13.4863 13.4863 15.0950 15.0950 k = 0.2593 0.5000 0.3167 ( 1664 PWs) bands (ev): -44.4384 -44.4384 -44.4358 -44.4358 -21.2950 -21.2950 -21.2421 -21.2421 -20.6838 -20.6838 -20.6192 -20.6192 -20.5104 -20.5104 -20.4547 -20.4547 5.9752 5.9752 7.2719 7.2719 10.8522 10.8522 11.1749 11.1749 11.4856 11.4856 12.7249 12.7249 13.2579 13.2579 13.5420 13.5420 15.0793 15.0793 k = 0.2685 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4371 -44.4371 -44.4347 -44.4347 -21.2945 -21.2945 -21.2440 -21.2440 -20.6861 -20.6861 -20.6220 -20.6220 -20.5141 -20.5141 -20.4598 -20.4598 6.0297 6.0297 7.2507 7.2507 10.9133 10.9133 11.1284 11.1284 11.4190 11.4190 12.6830 12.6830 13.3217 13.3217 13.5962 13.5962 15.0653 15.0653 k = 0.2778 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4358 -44.4358 -44.4336 -44.4336 -21.2941 -21.2941 -21.2460 -21.2460 -20.6884 -20.6884 -20.6250 -20.6250 -20.5176 -20.5176 -20.4648 -20.4648 6.0844 6.0844 7.2299 7.2299 10.9748 10.9748 11.0833 11.0833 11.3539 11.3539 12.6415 12.6415 13.3844 13.3844 13.6483 13.6483 15.0536 15.0536 k = 0.2870 0.5000 0.3167 ( 1664 PWs) bands (ev): -44.4346 -44.4346 -44.4325 -44.4325 -21.2939 -21.2939 -21.2482 -21.2482 -20.6906 -20.6906 -20.6281 -20.6281 -20.5208 -20.5208 -20.4697 -20.4697 6.1390 6.1390 7.2093 7.2093 11.0364 11.0364 11.0401 11.0401 11.2906 11.2906 12.6006 12.6006 13.4455 13.4455 13.6975 13.6975 15.0446 15.0446 k = 0.2963 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4334 -44.4334 -44.4314 -44.4314 -21.2936 -21.2936 -21.2504 -21.2504 -20.6926 -20.6926 -20.6313 -20.6313 -20.5237 -20.5237 -20.4744 -20.4744 6.1935 6.1935 7.1891 7.1891 10.9976 10.9976 11.0991 11.0991 11.2293 11.2293 12.5605 12.5605 13.5042 13.5042 13.7433 13.7433 15.0391 15.0391 k = 0.3056 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4322 -44.4322 -44.4304 -44.4304 -21.2934 -21.2934 -21.2528 -21.2528 -20.6946 -20.6946 -20.6346 -20.6346 -20.5264 -20.5264 -20.4790 -20.4790 6.2475 6.2475 7.1694 7.1694 10.9570 10.9570 11.1614 11.1614 11.1699 11.1699 12.5213 12.5213 13.5598 13.5598 13.7849 13.7849 15.0378 15.0378 k = 0.3148 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4310 -44.4310 -44.4294 -44.4294 -21.2933 -21.2933 -21.2552 -21.2552 -20.6965 -20.6965 -20.6380 -20.6380 -20.5288 -20.5288 -20.4833 -20.4833 6.3009 6.3009 7.1502 7.1502 10.9180 10.9180 11.1126 11.1126 11.2238 11.2238 12.4831 12.4831 13.6115 13.6115 13.8219 13.8219 15.0414 15.0414 k = 0.3241 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4298 -44.4298 -44.4283 -44.4283 -21.2933 -21.2933 -21.2576 -21.2576 -20.6982 -20.6982 -20.6414 -20.6414 -20.5310 -20.5310 -20.4876 -20.4876 6.3535 6.3535 7.1315 7.1315 10.8807 10.8807 11.0576 11.0576 11.2858 11.2858 12.4461 12.4461 13.6586 13.6586 13.8537 13.8537 15.0505 15.0505 k = 0.3333 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4287 -44.4287 -44.4274 -44.4274 -21.2933 -21.2933 -21.2601 -21.2601 -20.6997 -20.6997 -20.6449 -20.6449 -20.5328 -20.5328 -20.4916 -20.4916 6.4051 6.4051 7.1134 7.1134 10.8451 10.8451 11.0049 11.0049 11.3475 11.3475 12.4103 12.4103 13.7005 13.7005 13.8799 13.8799 15.0659 15.0659 k = 0.3426 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4276 -44.4276 -44.4264 -44.4264 -21.2933 -21.2933 -21.2627 -21.2627 -20.7011 -20.7011 -20.6484 -20.6484 -20.5345 -20.5345 -20.4955 -20.4955 6.4555 6.4555 7.0960 7.0960 10.8112 10.8112 10.9546 10.9546 11.4085 11.4085 12.3759 12.3759 13.7367 13.7367 13.9005 13.9005 15.0880 15.0880 k = 0.3519 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4266 -44.4266 -44.4255 -44.4255 -21.2935 -21.2935 -21.2652 -21.2652 -20.7023 -20.7023 -20.6519 -20.6519 -20.5360 -20.5360 -20.4992 -20.4992 6.5045 6.5045 7.0794 7.0794 10.7790 10.7790 10.9068 10.9068 11.4687 11.4687 12.3429 12.3429 13.7669 13.7669 13.9154 13.9154 15.1168 15.1168 k = 0.3611 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4256 -44.4256 -44.4246 -44.4246 -21.2937 -21.2937 -21.2678 -21.2678 -20.7034 -20.7034 -20.6554 -20.6554 -20.5373 -20.5373 -20.5027 -20.5027 6.5519 6.5519 7.0634 7.0634 10.7487 10.7487 10.8616 10.8616 11.5278 11.5278 12.3115 12.3115 13.7910 13.7910 13.9247 13.9247 15.1526 15.1526 k = 0.3704 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4247 -44.4247 -44.4238 -44.4238 -21.2938 -21.2938 -21.2703 -21.2703 -20.7043 -20.7043 -20.6588 -20.6588 -20.5383 -20.5383 -20.5061 -20.5061 6.5974 6.5974 7.0483 7.0483 10.7201 10.7201 10.8190 10.8190 11.5857 11.5857 12.2818 12.2818 13.8094 13.8094 13.9290 13.9290 15.1947 15.1947 k = 0.3796 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4238 -44.4238 -44.4230 -44.4230 -21.2940 -21.2940 -21.2728 -21.2728 -20.7050 -20.7050 -20.6622 -20.6622 -20.5392 -20.5392 -20.5093 -20.5093 6.6410 6.6410 7.0341 7.0341 10.6934 10.6934 10.7790 10.7790 11.6420 11.6420 12.2538 12.2538 13.8224 13.8224 13.9286 13.9286 15.2428 15.2428 k = 0.3889 0.5000 0.3167 ( 1664 PWs) bands (ev): -44.4229 -44.4229 -44.4223 -44.4223 -21.2943 -21.2943 -21.2752 -21.2752 -20.7055 -20.7055 -20.6655 -20.6655 -20.5400 -20.5400 -20.5123 -20.5123 6.6823 6.6823 7.0207 7.0207 10.6686 10.6686 10.7419 10.7419 11.6965 11.6965 12.2275 12.2275 13.8307 13.8307 13.9243 13.9243 15.2958 15.2958 k = 0.3981 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4221 -44.4221 -44.4216 -44.4216 -21.2945 -21.2945 -21.2775 -21.2775 -20.7057 -20.7057 -20.6687 -20.6687 -20.5405 -20.5405 -20.5151 -20.5151 6.7212 6.7212 7.0083 7.0083 10.6457 10.6457 10.7075 10.7075 11.7488 11.7488 12.2032 12.2032 13.8351 13.8351 13.9165 13.9165 15.3530 15.3530 k = 0.4074 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4214 -44.4214 -44.4209 -44.4209 -21.2947 -21.2947 -21.2798 -21.2798 -20.7058 -20.7058 -20.6718 -20.6718 -20.5409 -20.5409 -20.5178 -20.5178 6.7574 6.7574 6.9969 6.9969 10.6247 10.6247 10.6760 10.6760 11.7986 11.7986 12.1807 12.1807 13.8362 13.8362 13.9061 13.9061 15.4131 15.4131 k = 0.4167 0.5000 0.3167 ( 1660 PWs) bands (ev): -44.4207 -44.4207 -44.4204 -44.4204 -21.2949 -21.2949 -21.2819 -21.2819 -20.7057 -20.7057 -20.6749 -20.6749 -20.5411 -20.5411 -20.5204 -20.5204 6.7909 6.7909 6.9864 6.9864 10.6057 10.6057 10.6473 10.6473 11.8456 11.8456 12.1602 12.1602 13.8349 13.8349 13.8938 13.8938 15.4749 15.4749 k = 0.4259 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4201 -44.4201 -44.4198 -44.4198 -21.2950 -21.2950 -21.2838 -21.2838 -20.7054 -20.7054 -20.6777 -20.6777 -20.5411 -20.5411 -20.5227 -20.5227 6.8213 6.8213 6.9770 6.9770 10.5886 10.5886 10.6216 10.6216 11.8893 11.8893 12.1418 12.1418 13.8318 13.8318 13.8803 13.8803 15.5373 15.5373 k = 0.4352 0.5000 0.3167 ( 1652 PWs) bands (ev): -44.4196 -44.4196 -44.4193 -44.4193 -21.2951 -21.2951 -21.2856 -21.2856 -20.7048 -20.7048 -20.6805 -20.6805 -20.5410 -20.5410 -20.5250 -20.5250 6.8486 6.8486 6.9686 6.9686 10.5735 10.5735 10.5988 10.5988 11.9292 11.9292 12.1254 12.1254 13.8276 13.8276 13.8663 13.8663 15.5989 15.5989 k = 0.4444 0.5000 0.3167 ( 1652 PWs) bands (ev): -44.4191 -44.4191 -44.4189 -44.4189 -21.2952 -21.2952 -21.2872 -21.2872 -20.7041 -20.7041 -20.6832 -20.6832 -20.5408 -20.5408 -20.5270 -20.5270 6.8726 6.8726 6.9613 6.9613 10.5604 10.5604 10.5790 10.5790 11.9651 11.9651 12.1112 12.1112 13.8229 13.8229 13.8524 13.8524 15.6580 15.6580 k = 0.4537 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4187 -44.4187 -44.4186 -44.4186 -21.2952 -21.2952 -21.2888 -21.2888 -20.7033 -20.7033 -20.6858 -20.6858 -20.5405 -20.5405 -20.5290 -20.5290 6.8932 6.8932 6.9551 6.9551 10.5493 10.5493 10.5622 10.5622 11.9964 11.9964 12.0990 12.0990 13.8181 13.8181 13.8394 13.8394 15.7132 15.7132 k = 0.4630 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4184 -44.4184 -44.4183 -44.4183 -21.2952 -21.2952 -21.2901 -21.2901 -20.7023 -20.7023 -20.6882 -20.6882 -20.5400 -20.5400 -20.5308 -20.5308 6.9101 6.9101 6.9499 6.9499 10.5401 10.5401 10.5484 10.5484 12.0227 12.0227 12.0891 12.0891 13.8137 13.8137 13.8278 13.8278 15.7624 15.7624 k = 0.4722 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4181 -44.4181 -44.4181 -44.4181 -21.2950 -21.2950 -21.2913 -21.2913 -20.7011 -20.7011 -20.6905 -20.6905 -20.5393 -20.5393 -20.5324 -20.5324 6.9234 6.9234 6.9459 6.9459 10.5330 10.5330 10.5377 10.5377 12.0436 12.0436 12.0813 12.0813 13.8099 13.8099 13.8182 13.8182 15.8039 15.8039 k = 0.4815 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4179 -44.4179 -44.4179 -44.4179 -21.2947 -21.2947 -21.2923 -21.2923 -20.6997 -20.6997 -20.6926 -20.6926 -20.5385 -20.5385 -20.5339 -20.5339 6.9330 6.9330 6.9431 6.9431 10.5280 10.5280 10.5301 10.5301 12.0589 12.0589 12.0757 12.0757 13.8071 13.8071 13.8109 13.8109 15.8354 15.8354 k = 0.4907 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.2943 -21.2943 -21.2931 -21.2931 -20.6982 -20.6982 -20.6946 -20.6946 -20.5376 -20.5376 -20.5353 -20.5353 6.9388 6.9388 6.9414 6.9414 10.5249 10.5249 10.5255 10.5255 12.0681 12.0681 12.0724 12.0724 13.8053 13.8053 13.8065 13.8065 15.8553 15.8553 k = 0.5000 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.2938 -21.2938 -21.2938 -21.2938 -20.6965 -20.6965 -20.6965 -20.6965 -20.5365 -20.5365 -20.5365 -20.5365 6.9407 6.9407 6.9407 6.9407 10.5239 10.5239 10.5239 10.5239 12.0712 12.0712 12.0712 12.0712 13.8048 13.8048 13.8048 13.8048 15.8621 15.8621 k = 0.5000 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.2938 -21.2938 -21.2938 -21.2938 -20.6965 -20.6965 -20.6965 -20.6965 -20.5365 -20.5365 -20.5365 -20.5365 6.9407 6.9407 6.9407 6.9407 10.5239 10.5239 10.5239 10.5239 12.0712 12.0712 12.0712 12.0712 13.8048 13.8048 13.8048 13.8048 15.8621 15.8621 k = 0.4935 0.4935 0.3167 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.2943 -21.2943 -21.2931 -21.2931 -20.6981 -20.6981 -20.6946 -20.6946 -20.5376 -20.5376 -20.5353 -20.5353 6.9397 6.9397 6.9404 6.9404 10.5251 10.5251 10.5252 10.5252 12.0699 12.0699 12.0706 12.0706 13.8055 13.8055 13.8062 13.8062 15.8569 15.8569 k = 0.4870 0.4870 0.3167 ( 1656 PWs) bands (ev): -44.4179 -44.4179 -44.4179 -44.4179 -21.2947 -21.2947 -21.2923 -21.2923 -20.6997 -20.6997 -20.6926 -20.6926 -20.5385 -20.5385 -20.5340 -20.5340 6.9374 6.9374 6.9388 6.9388 10.5288 10.5288 10.5290 10.5290 12.0666 12.0666 12.0681 12.0681 13.8082 13.8082 13.8097 13.8097 15.8427 15.8427 k = 0.4805 0.4805 0.3167 ( 1656 PWs) bands (ev): -44.4181 -44.4181 -44.4181 -44.4181 -21.2949 -21.2949 -21.2913 -21.2913 -20.7010 -20.7010 -20.6905 -20.6905 -20.5393 -20.5393 -20.5325 -20.5325 6.9338 6.9338 6.9358 6.9358 10.5350 10.5350 10.5353 10.5353 12.0615 12.0615 12.0637 12.0637 13.8129 13.8129 13.8151 13.8151 15.8200 15.8200 k = 0.4740 0.4740 0.3167 ( 1656 PWs) bands (ev): -44.4183 -44.4183 -44.4183 -44.4183 -21.2950 -21.2950 -21.2903 -21.2903 -20.7022 -20.7022 -20.6883 -20.6883 -20.5399 -20.5399 -20.5309 -20.5309 6.9288 6.9288 6.9314 6.9314 10.5437 10.5437 10.5441 10.5441 12.0545 12.0545 12.0575 12.0575 13.8195 13.8195 13.8224 13.8224 15.7897 15.7897 k = 0.4675 0.4675 0.3167 ( 1656 PWs) bands (ev): -44.4186 -44.4186 -44.4186 -44.4186 -21.2950 -21.2950 -21.2890 -21.2890 -20.7033 -20.7033 -20.6859 -20.6859 -20.5404 -20.5404 -20.5292 -20.5292 6.9225 6.9225 6.9258 6.9258 10.5549 10.5549 10.5553 10.5553 12.0460 12.0460 12.0497 12.0497 13.8277 13.8277 13.8313 13.8313 15.7526 15.7526 k = 0.4610 0.4610 0.3167 ( 1654 PWs) bands (ev): -44.4190 -44.4190 -44.4190 -44.4190 -21.2947 -21.2947 -21.2877 -21.2877 -20.7041 -20.7041 -20.6833 -20.6833 -20.5407 -20.5407 -20.5273 -20.5273 6.9148 6.9148 6.9188 6.9188 10.5684 10.5684 10.5689 10.5689 12.0361 12.0361 12.0404 12.0404 13.8373 13.8373 13.8415 13.8415 15.7098 15.7098 k = 0.4545 0.4545 0.3167 ( 1658 PWs) bands (ev): -44.4195 -44.4195 -44.4195 -44.4195 -21.2944 -21.2944 -21.2862 -21.2862 -20.7049 -20.7049 -20.6807 -20.6807 -20.5409 -20.5409 -20.5254 -20.5254 6.9059 6.9059 6.9105 6.9105 10.5843 10.5843 10.5849 10.5849 12.0248 12.0248 12.0297 12.0297 13.8480 13.8480 13.8528 13.8528 15.6621 15.6621 k = 0.4481 0.4481 0.3167 ( 1662 PWs) bands (ev): -44.4200 -44.4200 -44.4200 -44.4200 -21.2940 -21.2940 -21.2846 -21.2846 -20.7054 -20.7054 -20.6779 -20.6779 -20.5410 -20.5410 -20.5233 -20.5233 6.8956 6.8956 6.9008 6.9008 10.6025 10.6025 10.6032 10.6032 12.0125 12.0125 12.0180 12.0180 13.8595 13.8595 13.8649 13.8649 15.6105 15.6105 k = 0.4416 0.4416 0.3167 ( 1658 PWs) bands (ev): -44.4205 -44.4205 -44.4205 -44.4205 -21.2933 -21.2933 -21.2828 -21.2828 -20.7058 -20.7058 -20.6750 -20.6750 -20.5409 -20.5409 -20.5211 -20.5211 6.8840 6.8840 6.8899 6.8899 10.6230 10.6230 10.6237 10.6237 11.9994 11.9994 12.0054 12.0054 13.8715 13.8715 13.8774 13.8774 15.5557 15.5557 k = 0.4351 0.4351 0.3167 ( 1658 PWs) bands (ev): -44.4212 -44.4212 -44.4212 -44.4212 -21.2925 -21.2925 -21.2809 -21.2809 -20.7059 -20.7059 -20.6720 -20.6720 -20.5407 -20.5407 -20.5188 -20.5188 6.8711 6.8711 6.8776 6.8776 10.6456 10.6456 10.6464 10.6464 11.9857 11.9857 11.9922 11.9922 13.8836 13.8836 13.8900 13.8900 15.4984 15.4984 k = 0.4286 0.4286 0.3167 ( 1658 PWs) bands (ev): -44.4219 -44.4219 -44.4219 -44.4219 -21.2916 -21.2916 -21.2789 -21.2789 -20.7059 -20.7059 -20.6688 -20.6688 -20.5403 -20.5403 -20.5164 -20.5164 6.8569 6.8569 6.8640 6.8640 10.6703 10.6703 10.6712 10.6712 11.9715 11.9715 11.9785 11.9785 13.8954 13.8954 13.9023 13.9023 15.4392 15.4392 k = 0.4221 0.4221 0.3167 ( 1654 PWs) bands (ev): -44.4226 -44.4226 -44.4226 -44.4226 -21.2905 -21.2905 -21.2768 -21.2768 -20.7057 -20.7057 -20.6655 -20.6655 -20.5397 -20.5397 -20.5138 -20.5138 6.8415 6.8415 6.8491 6.8491 10.6970 10.6970 10.6980 10.6980 11.9572 11.9572 11.9645 11.9645 13.9067 13.9067 13.9139 13.9139 15.3787 15.3787 k = 0.4156 0.4156 0.3167 ( 1656 PWs) bands (ev): -44.4234 -44.4234 -44.4234 -44.4234 -21.2893 -21.2893 -21.2746 -21.2746 -20.7054 -20.7054 -20.6622 -20.6622 -20.5390 -20.5390 -20.5112 -20.5112 6.8247 6.8247 6.8329 6.8329 10.7256 10.7256 10.7267 10.7267 11.9428 11.9428 11.9505 11.9505 13.9170 13.9170 13.9246 13.9246 15.3171 15.3171 k = 0.4091 0.4091 0.3167 ( 1652 PWs) bands (ev): -44.4243 -44.4243 -44.4243 -44.4243 -21.2879 -21.2879 -21.2722 -21.2722 -20.7048 -20.7048 -20.6587 -20.6587 -20.5382 -20.5382 -20.5085 -20.5085 6.8067 6.8067 6.8154 6.8154 10.7560 10.7560 10.7571 10.7571 11.9287 11.9287 11.9367 11.9367 13.9260 13.9260 13.9340 13.9340 15.2551 15.2551 k = 0.4026 0.4026 0.3167 ( 1660 PWs) bands (ev): -44.4253 -44.4253 -44.4253 -44.4253 -21.2865 -21.2865 -21.2698 -21.2698 -20.7041 -20.7041 -20.6552 -20.6552 -20.5373 -20.5373 -20.5058 -20.5058 6.7874 6.7874 6.7966 6.7966 10.7879 10.7879 10.7891 10.7891 11.9150 11.9150 11.9233 11.9233 13.9334 13.9334 13.9417 13.9417 15.1927 15.1927 k = 0.3961 0.3961 0.3167 ( 1664 PWs) bands (ev): -44.4263 -44.4263 -44.4263 -44.4263 -21.2849 -21.2849 -21.2673 -21.2673 -20.7032 -20.7032 -20.6516 -20.6516 -20.5362 -20.5362 -20.5030 -20.5030 6.7668 6.7668 6.7765 6.7765 10.8214 10.8214 10.8226 10.8226 11.9018 11.9018 11.9104 11.9104 13.9388 13.9388 13.9474 13.9474 15.1305 15.1305 k = 0.3896 0.3896 0.3167 ( 1660 PWs) bands (ev): -44.4273 -44.4273 -44.4273 -44.4273 -21.2831 -21.2831 -21.2646 -21.2646 -20.7020 -20.7020 -20.6478 -20.6478 -20.5350 -20.5350 -20.5000 -20.5000 6.7450 6.7450 6.7552 6.7552 10.8561 10.8561 10.8574 10.8574 11.8895 11.8895 11.8982 11.8982 13.9422 13.9422 13.9510 13.9510 15.0685 15.0685 k = 0.3831 0.3831 0.3167 ( 1662 PWs) bands (ev): -44.4284 -44.4284 -44.4284 -44.4284 -21.2813 -21.2813 -21.2619 -21.2619 -20.7008 -20.7008 -20.6439 -20.6439 -20.5337 -20.5337 -20.4971 -20.4971 6.7220 6.7220 6.7327 6.7327 10.8919 10.8919 10.8932 10.8932 11.8781 11.8781 11.8870 11.8870 13.9431 13.9431 13.9522 13.9522 15.0071 15.0071 k = 0.3766 0.3766 0.3167 ( 1662 PWs) bands (ev): -44.4295 -44.4295 -44.4295 -44.4295 -21.2793 -21.2793 -21.2591 -21.2591 -20.6993 -20.6993 -20.6400 -20.6400 -20.5322 -20.5322 -20.4940 -20.4940 6.6978 6.6978 6.7089 6.7089 10.9285 10.9285 10.9300 10.9300 11.8678 11.8678 11.8768 11.8768 13.9416 13.9416 13.9508 13.9508 14.9464 14.9464 k = 0.3701 0.3701 0.3167 ( 1658 PWs) bands (ev): -44.4307 -44.4307 -44.4307 -44.4307 -21.2771 -21.2771 -21.2561 -21.2561 -20.6976 -20.6976 -20.6359 -20.6359 -20.5306 -20.5306 -20.4908 -20.4908 6.6725 6.6725 6.6839 6.6839 10.9658 10.9658 10.9674 10.9674 11.8588 11.8588 11.8678 11.8678 13.9375 13.9375 13.9468 13.9468 14.8866 14.8866 k = 0.3636 0.3636 0.3167 ( 1658 PWs) bands (ev): -44.4320 -44.4320 -44.4320 -44.4320 -21.2749 -21.2749 -21.2532 -21.2532 -20.6957 -20.6957 -20.6318 -20.6318 -20.5288 -20.5288 -20.4876 -20.4876 6.6460 6.6460 6.6578 6.6578 11.0034 11.0034 11.0051 11.0051 11.8512 11.8512 11.8603 11.8603 13.9307 13.9307 13.9401 13.9401 14.8277 14.8277 k = 0.3571 0.3571 0.3167 ( 1656 PWs) bands (ev): -44.4333 -44.4333 -44.4333 -44.4333 -21.2725 -21.2725 -21.2501 -21.2501 -20.6936 -20.6936 -20.6276 -20.6276 -20.5270 -20.5270 -20.4844 -20.4844 6.6183 6.6183 6.6305 6.6305 11.0411 11.0411 11.0428 11.0428 11.8453 11.8453 11.8543 11.8543 13.9214 13.9214 13.9308 13.9308 14.7700 14.7700 k = 0.3506 0.3506 0.3167 ( 1656 PWs) bands (ev): -44.4346 -44.4346 -44.4346 -44.4346 -21.2700 -21.2700 -21.2469 -21.2469 -20.6914 -20.6914 -20.6234 -20.6234 -20.5251 -20.5251 -20.4811 -20.4811 6.5896 6.5896 6.6021 6.6021 11.0784 11.0784 11.0802 11.0802 11.8413 11.8413 11.8502 11.8502 13.9096 13.9096 13.9190 13.9190 14.7134 14.7134 k = 0.3442 0.3442 0.3167 ( 1652 PWs) bands (ev): -44.4360 -44.4360 -44.4360 -44.4360 -21.2674 -21.2674 -21.2437 -21.2437 -20.6890 -20.6890 -20.6190 -20.6190 -20.5230 -20.5230 -20.4777 -20.4777 6.5597 6.5597 6.5725 6.5725 11.1149 11.1149 11.1170 11.1170 11.8392 11.8392 11.8480 11.8480 13.8956 13.8956 13.9050 13.9050 14.6582 14.6582 k = 0.3377 0.3377 0.3167 ( 1652 PWs) bands (ev): -44.4374 -44.4374 -44.4374 -44.4374 -21.2647 -21.2647 -21.2404 -21.2404 -20.6865 -20.6865 -20.6147 -20.6147 -20.5208 -20.5208 -20.4744 -20.4744 6.5289 6.5289 6.5419 6.5419 11.1504 11.1504 11.1526 11.1526 11.8394 11.8394 11.8479 11.8479 13.8796 13.8796 13.8889 13.8889 14.6036 14.6036 k = 0.3312 0.3312 0.3167 ( 1654 PWs) bands (ev): -44.4389 -44.4389 -44.4389 -44.4389 -21.2619 -21.2619 -21.2371 -21.2371 -20.6838 -20.6838 -20.6103 -20.6103 -20.5185 -20.5185 -20.4710 -20.4710 6.4970 6.4970 6.5103 6.5103 11.1842 11.1842 11.1866 11.1866 11.8421 11.8421 11.8502 11.8502 13.8620 13.8620 13.8712 13.8712 14.5504 14.5504 k = 0.3247 0.3247 0.3167 ( 1650 PWs) bands (ev): -44.4404 -44.4404 -44.4404 -44.4404 -21.2590 -21.2590 -21.2337 -21.2337 -20.6809 -20.6809 -20.6059 -20.6059 -20.5161 -20.5161 -20.4675 -20.4675 6.4642 6.4642 6.4777 6.4777 11.2161 11.2161 11.2187 11.2187 11.8473 11.8473 11.8550 11.8550 13.8432 13.8432 13.8521 13.8521 14.4987 14.4987 k = 0.3182 0.3182 0.3167 ( 1652 PWs) bands (ev): -44.4419 -44.4419 -44.4419 -44.4419 -21.2560 -21.2560 -21.2303 -21.2303 -20.6778 -20.6778 -20.6014 -20.6014 -20.5136 -20.5136 -20.4641 -20.4641 6.4305 6.4305 6.4441 6.4441 11.2455 11.2455 11.2484 11.2484 11.8552 11.8552 11.8624 11.8624 13.8236 13.8236 13.8323 13.8323 14.4485 14.4485 k = 0.3117 0.3117 0.3167 ( 1652 PWs) bands (ev): -44.4434 -44.4434 -44.4434 -44.4434 -21.2529 -21.2529 -21.2268 -21.2268 -20.6747 -20.6747 -20.5970 -20.5970 -20.5110 -20.5110 -20.4606 -20.4606 6.3958 6.3958 6.4097 6.4097 11.2721 11.2721 11.2754 11.2754 11.8659 11.8659 11.8726 11.8726 13.8037 13.8037 13.8121 13.8121 14.4000 14.4000 k = 0.3052 0.3052 0.3167 ( 1652 PWs) bands (ev): -44.4450 -44.4450 -44.4450 -44.4450 -21.2497 -21.2497 -21.2233 -21.2233 -20.6713 -20.6713 -20.5925 -20.5925 -20.5083 -20.5083 -20.4571 -20.4571 6.3604 6.3604 6.3744 6.3744 11.2956 11.2956 11.2992 11.2992 11.8792 11.8792 11.8853 11.8853 13.7840 13.7840 13.7921 13.7921 14.3531 14.3531 k = 0.2987 0.2987 0.3167 ( 1656 PWs) bands (ev): -44.4466 -44.4466 -44.4466 -44.4466 -21.2465 -21.2465 -21.2198 -21.2198 -20.6679 -20.6679 -20.5880 -20.5880 -20.5055 -20.5055 -20.4536 -20.4536 6.3242 6.3242 6.3382 6.3382 11.3158 11.3158 11.3198 11.3198 11.8951 11.8951 11.9005 11.9005 13.7650 13.7650 13.7727 13.7727 14.3081 14.3081 k = 0.2922 0.2922 0.3167 ( 1660 PWs) bands (ev): -44.4482 -44.4482 -44.4482 -44.4482 -21.2432 -21.2432 -21.2163 -21.2163 -20.6643 -20.6643 -20.5836 -20.5836 -20.5026 -20.5026 -20.4502 -20.4502 6.2872 6.2872 6.3013 6.3013 11.3327 11.3327 11.3370 11.3370 11.9131 11.9131 11.9179 11.9179 13.7473 13.7473 13.7545 13.7545 14.2649 14.2649 k = 0.2857 0.2857 0.3167 ( 1660 PWs) bands (ev): -44.4499 -44.4499 -44.4499 -44.4499 -21.2399 -21.2399 -21.2127 -21.2127 -20.6606 -20.6606 -20.5791 -20.5791 -20.4996 -20.4996 -20.4466 -20.4466 6.2496 6.2496 6.2638 6.2638 11.3464 11.3464 11.3510 11.3510 11.9330 11.9330 11.9370 11.9370 13.7313 13.7313 13.7380 13.7380 14.2237 14.2237 k = 0.2792 0.2792 0.3167 ( 1660 PWs) bands (ev): -44.4515 -44.4515 -44.4515 -44.4515 -21.2364 -21.2364 -21.2091 -21.2091 -20.6568 -20.6568 -20.5747 -20.5747 -20.4965 -20.4965 -20.4431 -20.4431 6.2113 6.2113 6.2255 6.2255 11.3569 11.3569 11.3618 11.3618 11.9540 11.9540 11.9574 11.9574 13.7175 13.7175 13.7237 13.7237 14.1846 14.1846 k = 0.2727 0.2727 0.3167 ( 1658 PWs) bands (ev): -44.4532 -44.4532 -44.4532 -44.4532 -21.2329 -21.2329 -21.2054 -21.2054 -20.6528 -20.6528 -20.5703 -20.5703 -20.4933 -20.4933 -20.4396 -20.4396 6.1725 6.1725 6.1867 6.1867 11.3645 11.3645 11.3696 11.3696 11.9757 11.9757 11.9784 11.9784 13.7063 13.7063 13.7120 13.7120 14.1476 14.1476 k = 0.2662 0.2662 0.3167 ( 1658 PWs) bands (ev): -44.4549 -44.4549 -44.4549 -44.4549 -21.2293 -21.2293 -21.2018 -21.2018 -20.6488 -20.6488 -20.5660 -20.5660 -20.4899 -20.4899 -20.4360 -20.4360 6.1332 6.1332 6.1474 6.1474 11.3695 11.3695 11.3747 11.3747 11.9975 11.9975 11.9996 11.9996 13.6981 13.6981 13.7032 13.7032 14.1128 14.1128 k = 0.2597 0.2597 0.3167 ( 1662 PWs) bands (ev): -44.4566 -44.4566 -44.4566 -44.4566 -21.2258 -21.2258 -21.1983 -21.1983 -20.6447 -20.6447 -20.5619 -20.5619 -20.4865 -20.4865 -20.4325 -20.4325 6.0935 6.0935 6.1075 6.1075 11.3720 11.3720 11.3774 11.3774 12.0189 12.0189 12.0204 12.0204 13.6932 13.6932 13.6977 13.6977 14.0804 14.0804 k = 0.2532 0.2532 0.3167 ( 1662 PWs) bands (ev): -44.4583 -44.4583 -44.4583 -44.4583 -21.2221 -21.2221 -21.1947 -21.1947 -20.6405 -20.6405 -20.5577 -20.5577 -20.4829 -20.4829 -20.4290 -20.4290 6.0534 6.0534 6.0673 6.0673 11.3723 11.3723 11.3777 11.3777 12.0395 12.0395 12.0403 12.0403 13.6918 13.6918 13.6956 13.6956 14.0504 14.0504 k = 0.2468 0.2468 0.3167 ( 1662 PWs) bands (ev): -44.4599 -44.4599 -44.4599 -44.4599 -21.2185 -21.2185 -21.1911 -21.1911 -20.6362 -20.6362 -20.5537 -20.5537 -20.4793 -20.4793 -20.4255 -20.4255 6.0130 6.0130 6.0268 6.0268 11.3707 11.3707 11.3760 11.3760 12.0587 12.0587 12.0590 12.0590 13.6940 13.6940 13.6972 13.6972 14.0228 14.0228 k = 0.2403 0.2403 0.3167 ( 1666 PWs) bands (ev): -44.4616 -44.4616 -44.4616 -44.4616 -21.2148 -21.2148 -21.1875 -21.1875 -20.6319 -20.6319 -20.5498 -20.5498 -20.4756 -20.4756 -20.4220 -20.4220 5.9723 5.9723 5.9860 5.9860 11.3672 11.3672 11.3725 11.3725 12.0762 12.0762 12.0765 12.0765 13.6998 13.6998 13.7025 13.7025 13.9978 13.9978 k = 0.2338 0.2338 0.3167 ( 1666 PWs) bands (ev): -44.4633 -44.4633 -44.4633 -44.4633 -21.2111 -21.2111 -21.1840 -21.1840 -20.6276 -20.6276 -20.5460 -20.5460 -20.4717 -20.4717 -20.4185 -20.4185 5.9315 5.9315 5.9451 5.9451 11.3621 11.3621 11.3673 11.3673 12.0918 12.0918 12.0925 12.0925 13.7092 13.7092 13.7113 13.7113 13.9753 13.9753 k = 0.2273 0.2273 0.3167 ( 1662 PWs) bands (ev): -44.4650 -44.4650 -44.4650 -44.4650 -21.2073 -21.2073 -21.1804 -21.1804 -20.6231 -20.6231 -20.5422 -20.5422 -20.4678 -20.4678 -20.4151 -20.4151 5.8906 5.8906 5.9040 5.9040 11.3555 11.3555 11.3605 11.3605 12.1056 12.1056 12.1067 12.1067 13.7220 13.7220 13.7234 13.7234 13.9555 13.9555 k = 0.2208 0.2208 0.3167 ( 1662 PWs) bands (ev): -44.4667 -44.4667 -44.4667 -44.4667 -21.2036 -21.2036 -21.1769 -21.1769 -20.6186 -20.6186 -20.5387 -20.5387 -20.4637 -20.4637 -20.4117 -20.4117 5.8497 5.8497 5.8629 5.8629 11.3475 11.3475 11.3524 11.3524 12.1177 12.1177 12.1192 12.1192 13.7377 13.7377 13.7386 13.7386 13.9384 13.9384 k = 0.2143 0.2143 0.3167 ( 1658 PWs) bands (ev): -44.4684 -44.4684 -44.4684 -44.4684 -21.1998 -21.1998 -21.1735 -21.1735 -20.6141 -20.6141 -20.5352 -20.5352 -20.4596 -20.4596 -20.4083 -20.4083 5.8089 5.8089 5.8219 5.8219 11.3383 11.3383 11.3430 11.3430 12.1281 12.1281 12.1299 12.1299 13.7560 13.7560 13.7562 13.7562 13.9242 13.9242 k = 0.2078 0.2078 0.3167 ( 1658 PWs) bands (ev): -44.4700 -44.4700 -44.4700 -44.4700 -21.1960 -21.1960 -21.1701 -21.1701 -20.6096 -20.6096 -20.5319 -20.5319 -20.4555 -20.4555 -20.4050 -20.4050 5.7682 5.7682 5.7810 5.7810 11.3280 11.3280 11.3325 11.3325 12.1369 12.1369 12.1391 12.1391 13.7756 13.7756 13.7760 13.7760 13.9132 13.9132 k = 0.2013 0.2013 0.3167 ( 1658 PWs) bands (ev): -44.4716 -44.4716 -44.4716 -44.4716 -21.1923 -21.1923 -21.1667 -21.1667 -20.6051 -20.6051 -20.5287 -20.5287 -20.4512 -20.4512 -20.4018 -20.4018 5.7278 5.7278 5.7403 5.7403 11.3167 11.3167 11.3210 11.3210 12.1445 12.1445 12.1470 12.1470 13.7955 13.7955 13.7968 13.7968 13.9062 13.9062 k = 0.1948 0.1948 0.3167 ( 1658 PWs) bands (ev): -44.4732 -44.4732 -44.4732 -44.4732 -21.1886 -21.1886 -21.1634 -21.1634 -20.6006 -20.6006 -20.5257 -20.5257 -20.4470 -20.4470 -20.3985 -20.3985 5.6876 5.6876 5.6998 5.6998 11.3045 11.3045 11.3086 11.3086 12.1509 12.1509 12.1537 12.1537 13.8141 13.8141 13.8165 13.8165 13.9044 13.9044 k = 0.1883 0.1883 0.3167 ( 1674 PWs) bands (ev): -44.4748 -44.4748 -44.4748 -44.4748 -21.1850 -21.1850 -21.1604 -21.1604 -20.5962 -20.5962 -20.5230 -20.5230 -20.4428 -20.4428 -20.3955 -20.3955 5.6478 5.6478 5.6597 5.6597 11.2915 11.2915 11.2955 11.2955 12.1564 12.1564 12.1594 12.1594 13.8286 13.8286 13.8327 13.8327 13.9101 13.9101 k = 0.1818 0.1818 0.3167 ( 1676 PWs) bands (ev): -44.4764 -44.4764 -44.4764 -44.4764 -21.1814 -21.1814 -21.1572 -21.1572 -20.5917 -20.5917 -20.5203 -20.5203 -20.4385 -20.4385 -20.3924 -20.3924 5.6085 5.6085 5.6201 5.6201 11.2779 11.2779 11.2816 11.2816 12.1612 12.1612 12.1644 12.1644 13.8374 13.8374 13.8431 13.8431 13.9241 13.9241 k = 0.1753 0.1753 0.3167 ( 1676 PWs) bands (ev): -44.4779 -44.4779 -44.4779 -44.4779 -21.1778 -21.1778 -21.1542 -21.1542 -20.5873 -20.5873 -20.5177 -20.5177 -20.4341 -20.4341 -20.3894 -20.3894 5.5697 5.5697 5.5810 5.5810 11.2637 11.2637 11.2673 11.2673 12.1655 12.1655 12.1689 12.1689 13.8418 13.8418 13.8487 13.8487 13.9447 13.9447 k = 0.1688 0.1688 0.3167 ( 1676 PWs) bands (ev): -44.4794 -44.4794 -44.4794 -44.4794 -21.1742 -21.1742 -21.1512 -21.1512 -20.5829 -20.5829 -20.5153 -20.5153 -20.4298 -20.4298 -20.3864 -20.3864 5.5315 5.5315 5.5425 5.5425 11.2492 11.2492 11.2525 11.2525 12.1695 12.1695 12.1730 12.1730 13.8443 13.8443 13.8518 13.8518 13.9687 13.9687 k = 0.1623 0.1623 0.3167 ( 1672 PWs) bands (ev): -44.4809 -44.4809 -44.4809 -44.4809 -21.1707 -21.1707 -21.1482 -21.1482 -20.5785 -20.5785 -20.5130 -20.5130 -20.4254 -20.4254 -20.3835 -20.3835 5.4940 5.4940 5.5047 5.5047 11.2343 11.2343 11.2374 11.2374 12.1734 12.1734 12.1770 12.1770 13.8462 13.8462 13.8542 13.8542 13.9941 13.9941 k = 0.1558 0.1558 0.3167 ( 1676 PWs) bands (ev): -44.4824 -44.4824 -44.4824 -44.4824 -21.1673 -21.1673 -21.1454 -21.1454 -20.5742 -20.5742 -20.5109 -20.5109 -20.4211 -20.4211 -20.3807 -20.3807 5.4573 5.4573 5.4676 5.4676 11.2192 11.2192 11.2221 11.2221 12.1772 12.1772 12.1810 12.1810 13.8483 13.8483 13.8565 13.8565 14.0197 14.0197 k = 0.1494 0.1494 0.3167 ( 1676 PWs) bands (ev): -44.4837 -44.4837 -44.4837 -44.4837 -21.1639 -21.1639 -21.1427 -21.1427 -20.5700 -20.5700 -20.5089 -20.5089 -20.4168 -20.4168 -20.3780 -20.3780 5.4215 5.4215 5.4314 5.4314 11.2040 11.2040 11.2067 11.2067 12.1813 12.1813 12.1852 12.1852 13.8508 13.8508 13.8591 13.8591 14.0446 14.0446 k = 0.1429 0.1429 0.3167 ( 1672 PWs) bands (ev): -44.4851 -44.4851 -44.4851 -44.4851 -21.1605 -21.1605 -21.1401 -21.1401 -20.5657 -20.5657 -20.5070 -20.5070 -20.4125 -20.4125 -20.3753 -20.3753 5.3865 5.3865 5.3961 5.3961 11.1888 11.1888 11.1913 11.1913 12.1855 12.1855 12.1895 12.1895 13.8536 13.8536 13.8620 13.8620 14.0683 14.0683 k = 0.1364 0.1364 0.3167 ( 1672 PWs) bands (ev): -44.4864 -44.4864 -44.4864 -44.4864 -21.1573 -21.1573 -21.1376 -21.1376 -20.5617 -20.5617 -20.5053 -20.5053 -20.4084 -20.4084 -20.3728 -20.3728 5.3526 5.3526 5.3617 5.3617 11.1736 11.1736 11.1760 11.1760 12.1901 12.1901 12.1941 12.1941 13.8567 13.8567 13.8651 13.8651 14.0904 14.0904 k = 0.1299 0.1299 0.3167 ( 1672 PWs) bands (ev): -44.4877 -44.4877 -44.4877 -44.4877 -21.1541 -21.1541 -21.1352 -21.1352 -20.5576 -20.5576 -20.5037 -20.5037 -20.4043 -20.4043 -20.3703 -20.3703 5.3197 5.3197 5.3285 5.3285 11.1587 11.1587 11.1609 11.1609 12.1950 12.1950 12.1992 12.1992 13.8599 13.8599 13.8684 13.8684 14.1106 14.1106 k = 0.1234 0.1234 0.3167 ( 1668 PWs) bands (ev): -44.4889 -44.4889 -44.4889 -44.4889 -21.1510 -21.1510 -21.1328 -21.1328 -20.5537 -20.5537 -20.5023 -20.5023 -20.4002 -20.4002 -20.3680 -20.3680 5.2880 5.2880 5.2963 5.2963 11.1440 11.1440 11.1460 11.1460 12.2004 12.2004 12.2046 12.2046 13.8631 13.8631 13.8715 13.8715 14.1288 14.1288 k = 0.1169 0.1169 0.3167 ( 1668 PWs) bands (ev): -44.4901 -44.4901 -44.4901 -44.4901 -21.1480 -21.1480 -21.1307 -21.1307 -20.5498 -20.5498 -20.5010 -20.5010 -20.3963 -20.3963 -20.3658 -20.3658 5.2574 5.2574 5.2654 5.2654 11.1297 11.1297 11.1315 11.1315 12.2062 12.2062 12.2104 12.2104 13.8659 13.8659 13.8743 13.8743 14.1448 14.1448 k = 0.1104 0.1104 0.3167 ( 1672 PWs) bands (ev): -44.4912 -44.4912 -44.4912 -44.4912 -21.1452 -21.1452 -21.1287 -21.1287 -20.5462 -20.5462 -20.4999 -20.4999 -20.3925 -20.3925 -20.3637 -20.3637 5.2281 5.2281 5.2356 5.2356 11.1157 11.1157 11.1175 11.1175 12.2124 12.2124 12.2166 12.2166 13.8683 13.8683 13.8766 13.8766 14.1586 14.1586 k = 0.1039 0.1039 0.3167 ( 1672 PWs) bands (ev): -44.4922 -44.4922 -44.4922 -44.4922 -21.1425 -21.1425 -21.1268 -21.1268 -20.5425 -20.5425 -20.4989 -20.4989 -20.3889 -20.3889 -20.3617 -20.3617 5.2002 5.2002 5.2073 5.2073 11.1023 11.1023 11.1039 11.1039 12.2190 12.2190 12.2232 12.2232 13.8700 13.8700 13.8782 13.8782 14.1704 14.1704 k = 0.0974 0.0974 0.3167 ( 1672 PWs) bands (ev): -44.4933 -44.4933 -44.4933 -44.4933 -21.1398 -21.1398 -21.1250 -21.1250 -20.5390 -20.5390 -20.4980 -20.4980 -20.3853 -20.3853 -20.3599 -20.3599 5.1736 5.1736 5.1803 5.1803 11.0894 11.0894 11.0908 11.0908 12.2260 12.2260 12.2301 12.2301 13.8709 13.8709 13.8789 13.8789 14.1804 14.1804 k = 0.0909 0.0909 0.3167 ( 1672 PWs) bands (ev): -44.4942 -44.4942 -44.4942 -44.4942 -21.1372 -21.1372 -21.1233 -21.1233 -20.5356 -20.5356 -20.4973 -20.4973 -20.3819 -20.3819 -20.3582 -20.3582 5.1485 5.1485 5.1548 5.1548 11.0771 11.0771 11.0784 11.0784 12.2333 12.2333 12.2374 12.2374 13.8707 13.8707 13.8785 13.8785 14.1887 14.1887 k = 0.0844 0.0844 0.3167 ( 1664 PWs) bands (ev): -44.4951 -44.4951 -44.4951 -44.4951 -21.1347 -21.1347 -21.1218 -21.1218 -20.5323 -20.5323 -20.4966 -20.4966 -20.3786 -20.3786 -20.3566 -20.3566 5.1249 5.1249 5.1308 5.1308 11.0654 11.0654 11.0666 11.0666 12.2409 12.2409 12.2448 12.2448 13.8695 13.8695 13.8771 13.8771 14.1956 14.1956 k = 0.0779 0.0779 0.3167 ( 1664 PWs) bands (ev): -44.4959 -44.4959 -44.4959 -44.4959 -21.1324 -21.1324 -21.1204 -21.1204 -20.5292 -20.5292 -20.4962 -20.4962 -20.3755 -20.3755 -20.3552 -20.3552 5.1029 5.1029 5.1083 5.1083 11.0544 11.0544 11.0556 11.0556 12.2486 12.2486 12.2524 12.2524 13.8671 13.8671 13.8744 13.8744 14.2015 14.2015 k = 0.0714 0.0714 0.3167 ( 1660 PWs) bands (ev): -44.4967 -44.4967 -44.4967 -44.4967 -21.1302 -21.1302 -21.1191 -21.1191 -20.5261 -20.5261 -20.4958 -20.4958 -20.3725 -20.3725 -20.3540 -20.3540 5.0824 5.0824 5.0874 5.0874 11.0442 11.0442 11.0452 11.0452 12.2563 12.2563 12.2600 12.2600 13.8638 13.8638 13.8707 13.8707 14.2065 14.2065 k = 0.0649 0.0649 0.3167 ( 1656 PWs) bands (ev): -44.4974 -44.4974 -44.4974 -44.4974 -21.1281 -21.1281 -21.1180 -21.1180 -20.5232 -20.5232 -20.4956 -20.4956 -20.3697 -20.3697 -20.3528 -20.3528 5.0636 5.0636 5.0682 5.0682 11.0348 11.0348 11.0357 11.0357 12.2640 12.2640 12.2675 12.2675 13.8594 13.8594 13.8660 13.8660 14.2109 14.2109 k = 0.0584 0.0584 0.3167 ( 1656 PWs) bands (ev): -44.4981 -44.4981 -44.4981 -44.4981 -21.1262 -21.1262 -21.1170 -21.1170 -20.5204 -20.5204 -20.4956 -20.4956 -20.3671 -20.3671 -20.3519 -20.3519 5.0465 5.0465 5.0506 5.0506 11.0261 11.0261 11.0269 11.0269 12.2715 12.2715 12.2748 12.2748 13.8544 13.8544 13.8605 13.8605 14.2148 14.2148 k = 0.0519 0.0519 0.3167 ( 1658 PWs) bands (ev): -44.4986 -44.4986 -44.4986 -44.4986 -21.1245 -21.1245 -21.1163 -21.1163 -20.5178 -20.5178 -20.4957 -20.4957 -20.3646 -20.3646 -20.3512 -20.3512 5.0311 5.0311 5.0348 5.0348 11.0183 11.0183 11.0190 11.0190 12.2787 12.2787 12.2817 12.2817 13.8488 13.8488 13.8544 13.8544 14.2183 14.2183 k = 0.0455 0.0455 0.3167 ( 1658 PWs) bands (ev): -44.4992 -44.4992 -44.4992 -44.4992 -21.1228 -21.1228 -21.1156 -21.1156 -20.5153 -20.5153 -20.4960 -20.4960 -20.3624 -20.3624 -20.3507 -20.3507 5.0175 5.0175 5.0207 5.0207 11.0114 11.0114 11.0120 11.0120 12.2855 12.2855 12.2882 12.2882 13.8430 13.8430 13.8480 13.8480 14.2215 14.2215 k = 0.0390 0.0390 0.3167 ( 1662 PWs) bands (ev): -44.4996 -44.4996 -44.4996 -44.4996 -21.1213 -21.1213 -21.1152 -21.1152 -20.5130 -20.5130 -20.4965 -20.4965 -20.3603 -20.3603 -20.3503 -20.3503 5.0057 5.0057 5.0084 5.0084 11.0054 11.0054 11.0059 11.0059 12.2918 12.2918 12.2941 12.2941 13.8372 13.8372 13.8416 13.8416 14.2244 14.2244 k = 0.0325 0.0325 0.3167 ( 1666 PWs) bands (ev): -44.5000 -44.5000 -44.5000 -44.5000 -21.1200 -21.1200 -21.1149 -21.1149 -20.5109 -20.5109 -20.4971 -20.4971 -20.3585 -20.3585 -20.3501 -20.3501 4.9956 4.9956 4.9979 4.9979 11.0002 11.0002 11.0006 11.0006 12.2973 12.2973 12.2994 12.2994 13.8318 13.8318 13.8356 13.8356 14.2270 14.2270 k = 0.0260 0.0260 0.3167 ( 1670 PWs) bands (ev): -44.5003 -44.5003 -44.5003 -44.5003 -21.1189 -21.1189 -21.1147 -21.1147 -20.5088 -20.5088 -20.4978 -20.4978 -20.3568 -20.3568 -20.3501 -20.3501 4.9874 4.9874 4.9892 4.9892 10.9960 10.9960 10.9963 10.9963 12.3021 12.3021 12.3038 12.3038 13.8271 13.8271 13.8301 13.8301 14.2292 14.2292 k = 0.0195 0.0195 0.3167 ( 1666 PWs) bands (ev): -44.5006 -44.5006 -44.5006 -44.5006 -21.1178 -21.1178 -21.1147 -21.1147 -20.5069 -20.5069 -20.4986 -20.4986 -20.3553 -20.3553 -20.3503 -20.3503 4.9811 4.9811 4.9824 4.9824 10.9927 10.9927 10.9929 10.9929 12.3060 12.3060 12.3072 12.3072 13.8232 13.8232 13.8255 13.8255 14.2310 14.2310 k = 0.0130 0.0130 0.3167 ( 1664 PWs) bands (ev): -44.5007 -44.5007 -44.5007 -44.5007 -21.1169 -21.1169 -21.1148 -21.1148 -20.5051 -20.5051 -20.4996 -20.4996 -20.3539 -20.3539 -20.3506 -20.3506 4.9766 4.9766 4.9775 4.9775 10.9903 10.9903 10.9905 10.9905 12.3089 12.3089 12.3097 12.3097 13.8204 13.8204 13.8219 13.8219 14.2323 14.2323 k = 0.0065 0.0065 0.3167 ( 1660 PWs) bands (ev): -44.5008 -44.5008 -44.5008 -44.5008 -21.1161 -21.1161 -21.1151 -21.1151 -20.5035 -20.5035 -20.5007 -20.5007 -20.3528 -20.3528 -20.3511 -20.3511 4.9740 4.9740 4.9745 4.9745 10.9890 10.9890 10.9890 10.9890 12.3107 12.3107 12.3112 12.3112 13.8188 13.8188 13.8196 13.8196 14.2332 14.2332 k = 0.0000 0.0000 0.3167 ( 1660 PWs) bands (ev): -44.5009 -44.5009 -44.5009 -44.5009 -21.1155 -21.1155 -21.1155 -21.1155 -20.5021 -20.5021 -20.5021 -20.5021 -20.3518 -20.3518 -20.3518 -20.3518 4.9733 4.9733 4.9733 4.9733 10.9885 10.9885 10.9885 10.9885 12.3115 12.3115 12.3115 12.3115 13.8185 13.8185 13.8185 13.8185 14.2336 14.2336 k = 0.0000 0.5000-0.0000 ( 1684 PWs) bands (ev): -44.4615 -44.4615 -44.4561 -44.4561 -21.2633 -21.2633 -21.2025 -21.2025 -20.6543 -20.6543 -20.6082 -20.6082 -20.4305 -20.4305 -20.3638 -20.3638 5.5054 5.5054 7.0175 7.0175 10.2346 10.2346 11.5549 11.5549 11.8307 11.8307 12.2073 12.2073 13.7677 13.7677 13.9205 13.9205 14.1384 14.1384 k = 0.0000 0.5000 0.0090 ( 1686 PWs) bands (ev): -44.4615 -44.4615 -44.4561 -44.4561 -21.2634 -21.2634 -21.2026 -21.2026 -20.6543 -20.6543 -20.6081 -20.6081 -20.4304 -20.4304 -20.3638 -20.3638 5.5041 5.5041 7.0191 7.0191 10.2336 10.2336 11.5564 11.5564 11.8313 11.8313 12.2082 12.2082 13.7625 13.7625 13.9184 13.9184 14.1440 14.1440 k = 0.0000 0.5000 0.0181 ( 1674 PWs) bands (ev): -44.4615 -44.4615 -44.4561 -44.4561 -21.2637 -21.2637 -21.2027 -21.2027 -20.6541 -20.6541 -20.6079 -20.6079 -20.4301 -20.4301 -20.3635 -20.3635 5.5003 5.5003 7.0241 7.0241 10.2304 10.2304 11.5611 11.5611 11.8333 11.8333 12.2107 12.2107 13.7478 13.7478 13.9121 13.9121 14.1597 14.1597 k = 0.0000 0.5000 0.0271 ( 1670 PWs) bands (ev): -44.4615 -44.4615 -44.4561 -44.4561 -21.2642 -21.2642 -21.2028 -21.2028 -20.6540 -20.6540 -20.6077 -20.6077 -20.4298 -20.4298 -20.3632 -20.3632 5.4941 5.4941 7.0323 7.0323 10.2252 10.2252 11.5688 11.5688 11.8364 11.8364 12.2149 12.2149 13.7256 13.7256 13.9018 13.9018 14.1837 14.1837 k = 0.0000 0.5000 0.0362 ( 1668 PWs) bands (ev): -44.4614 -44.4614 -44.4561 -44.4561 -21.2649 -21.2649 -21.2031 -21.2031 -20.6538 -20.6538 -20.6075 -20.6075 -20.4293 -20.4293 -20.3629 -20.3629 5.4855 5.4855 7.0435 7.0435 10.2180 10.2180 11.5795 11.5795 11.8409 11.8409 12.2207 12.2207 13.6982 13.6982 13.8881 13.8881 14.2135 14.2135 k = 0.0000 0.5000 0.0452 ( 1668 PWs) bands (ev): -44.4614 -44.4614 -44.4561 -44.4561 -21.2659 -21.2659 -21.2035 -21.2035 -20.6536 -20.6536 -20.6072 -20.6072 -20.4288 -20.4288 -20.3625 -20.3625 5.4749 5.4749 7.0576 7.0576 10.2090 10.2090 11.5930 11.5930 11.8465 11.8465 12.2280 12.2280 13.6674 13.6674 13.8714 13.8714 14.2475 14.2475 k = 0.0000 0.5000 0.0543 ( 1668 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2671 -21.2671 -21.2040 -21.2040 -20.6533 -20.6533 -20.6067 -20.6067 -20.4282 -20.4282 -20.3621 -20.3621 5.4622 5.4622 7.0744 7.0744 10.1983 10.1983 11.6093 11.6093 11.8533 11.8533 12.2368 12.2368 13.6345 13.6345 13.8523 13.8523 14.2842 14.2842 k = 0.0000 0.5000 0.0633 ( 1670 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2684 -21.2684 -21.2045 -21.2045 -20.6530 -20.6530 -20.6063 -20.6063 -20.4275 -20.4275 -20.3616 -20.3616 5.4478 5.4478 7.0936 7.0936 10.1860 10.1860 11.6281 11.6281 11.8612 11.8612 12.2470 12.2470 13.6004 13.6004 13.8313 13.8313 14.3228 14.3228 k = 0.0000 0.5000 0.0724 ( 1670 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2699 -21.2699 -21.2052 -21.2052 -20.6527 -20.6527 -20.6058 -20.6058 -20.4267 -20.4267 -20.3610 -20.3610 5.4318 5.4318 7.1150 7.1150 10.1725 10.1725 11.6494 11.6494 11.8701 11.8701 12.2584 12.2584 13.5658 13.5658 13.8088 13.8088 14.3625 14.3625 k = 0.0000 0.5000 0.0814 ( 1670 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2715 -21.2715 -21.2058 -21.2058 -20.6523 -20.6523 -20.6052 -20.6052 -20.4258 -20.4258 -20.3603 -20.3603 5.4146 5.4146 7.1384 7.1384 10.1579 10.1579 11.6729 11.6729 11.8801 11.8801 12.2710 12.2710 13.5310 13.5310 13.7853 13.7853 14.4029 14.4029 k = 0.0000 0.5000 0.0905 ( 1670 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2733 -21.2733 -21.2066 -21.2066 -20.6519 -20.6519 -20.6046 -20.6046 -20.4248 -20.4248 -20.3596 -20.3596 5.3963 5.3963 7.1633 7.1633 10.1423 10.1423 11.6986 11.6986 11.8910 11.8910 12.2847 12.2847 13.4965 13.4965 13.7611 13.7611 14.4436 14.4436 k = 0.0000 0.5000 0.0995 ( 1662 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2751 -21.2751 -21.2073 -21.2073 -20.6515 -20.6515 -20.6039 -20.6039 -20.4237 -20.4237 -20.3588 -20.3588 5.3772 5.3772 7.1897 7.1897 10.1259 10.1259 11.7261 11.7261 11.9027 11.9027 12.2992 12.2992 13.4624 13.4624 13.7365 13.7365 14.4844 14.4844 k = 0.0000 0.5000 0.1086 ( 1660 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2771 -21.2771 -21.2082 -21.2082 -20.6510 -20.6510 -20.6032 -20.6032 -20.4225 -20.4225 -20.3580 -20.3580 5.3574 5.3574 7.2171 7.2171 10.1090 10.1090 11.7554 11.7554 11.9152 11.9152 12.3145 12.3145 13.4289 13.4289 13.7118 13.7118 14.5249 14.5249 k = 0.0000 0.5000 0.1176 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2792 -21.2792 -21.2092 -21.2092 -20.6507 -20.6507 -20.6026 -20.6026 -20.4214 -20.4214 -20.3572 -20.3572 5.3372 5.3372 7.2454 7.2454 10.0917 10.0917 11.7863 11.7863 11.9284 11.9284 12.3303 12.3303 13.3962 13.3962 13.6872 13.6872 14.5650 14.5650 k = 0.0000 0.5000 0.1267 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2813 -21.2813 -21.2102 -21.2102 -20.6502 -20.6502 -20.6018 -20.6018 -20.4202 -20.4202 -20.3563 -20.3563 5.3168 5.3168 7.2743 7.2743 10.0741 10.0741 11.8186 11.8186 11.9421 11.9421 12.3466 12.3466 13.3644 13.3644 13.6629 13.6629 14.6045 14.6045 k = 0.0000 0.5000 0.1357 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2835 -21.2835 -21.2112 -21.2112 -20.6497 -20.6497 -20.6011 -20.6011 -20.4189 -20.4189 -20.3554 -20.3554 5.2964 5.2964 7.3035 7.3035 10.0565 10.0565 11.8522 11.8522 11.9562 11.9562 12.3632 12.3632 13.3337 13.3337 13.6390 13.6390 14.6433 14.6433 k = 0.0000 0.5000 0.1448 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2857 -21.2857 -21.2123 -21.2123 -20.6492 -20.6492 -20.6003 -20.6003 -20.4176 -20.4176 -20.3545 -20.3545 5.2761 5.2761 7.3328 7.3328 10.0389 10.0389 11.8868 11.8868 11.9707 11.9707 12.3798 12.3798 13.3040 13.3040 13.6157 13.6157 14.6811 14.6811 k = 0.0000 0.5000 0.1538 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2879 -21.2879 -21.2133 -21.2133 -20.6488 -20.6488 -20.5996 -20.5996 -20.4163 -20.4163 -20.3535 -20.3535 5.2560 5.2560 7.3621 7.3621 10.0216 10.0216 11.9223 11.9223 11.9855 11.9855 12.3965 12.3965 13.2755 13.2755 13.5930 13.5930 14.7179 14.7179 k = 0.0000 0.5000 0.1629 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2901 -21.2901 -21.2144 -21.2144 -20.6483 -20.6483 -20.5988 -20.5988 -20.4150 -20.4150 -20.3526 -20.3526 5.2364 5.2364 7.3910 7.3910 10.0046 10.0046 11.9585 11.9585 12.0003 12.0003 12.4128 12.4128 13.2483 13.2483 13.5711 13.5711 14.7535 14.7535 k = 0.0000 0.5000 0.1719 ( 1676 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2922 -21.2922 -21.2155 -21.2155 -20.6479 -20.6479 -20.5982 -20.5982 -20.4137 -20.4137 -20.3516 -20.3516 5.2173 5.2173 7.4194 7.4194 9.9880 9.9880 11.9951 11.9951 12.0151 12.0151 12.4289 12.4289 13.2223 13.2223 13.5502 13.5502 14.7878 14.7878 k = 0.0000 0.5000 0.1809 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2943 -21.2943 -21.2165 -21.2165 -20.6474 -20.6474 -20.5974 -20.5974 -20.4124 -20.4124 -20.3507 -20.3507 5.1989 5.1989 7.4471 7.4471 9.9719 9.9719 12.0295 12.0295 12.0324 12.0324 12.4443 12.4443 13.1977 13.1977 13.5301 13.5301 14.8207 14.8207 k = 0.0000 0.5000 0.1900 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2963 -21.2963 -21.2176 -21.2176 -20.6470 -20.6470 -20.5967 -20.5967 -20.4111 -20.4111 -20.3497 -20.3497 5.1812 5.1812 7.4740 7.4740 9.9565 9.9565 12.0442 12.0442 12.0692 12.0692 12.4590 12.4590 13.1745 13.1745 13.5111 13.5111 14.8520 14.8520 k = 0.0000 0.5000 0.1990 ( 1672 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.2983 -21.2983 -21.2186 -21.2186 -20.6466 -20.6466 -20.5960 -20.5960 -20.4098 -20.4098 -20.3488 -20.3488 5.1643 5.1643 7.4997 7.4997 9.9418 9.9418 12.0583 12.0583 12.1062 12.1062 12.4729 12.4729 13.1528 13.1528 13.4932 13.4932 14.8817 14.8817 k = 0.0000 0.5000 0.2081 ( 1680 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3003 -21.3003 -21.2197 -21.2197 -20.6463 -20.6463 -20.5955 -20.5955 -20.4087 -20.4087 -20.3480 -20.3480 5.1485 5.1485 7.5243 7.5243 9.9279 9.9279 12.0719 12.0719 12.1427 12.1427 12.4857 12.4857 13.1325 13.1325 13.4764 13.4764 14.9096 14.9096 k = 0.0000 0.5000 0.2171 ( 1680 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3021 -21.3021 -21.2206 -21.2206 -20.6459 -20.6459 -20.5949 -20.5949 -20.4076 -20.4076 -20.3472 -20.3472 5.1336 5.1336 7.5475 7.5475 9.9149 9.9149 12.0848 12.0848 12.1786 12.1786 12.4973 12.4973 13.1137 13.1137 13.4608 13.4608 14.9356 14.9356 k = 0.0000 0.5000 0.2262 ( 1684 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3038 -21.3038 -21.2215 -21.2215 -20.6456 -20.6456 -20.5944 -20.5944 -20.4065 -20.4065 -20.3464 -20.3464 5.1198 5.1198 7.5691 7.5691 9.9028 9.9028 12.0971 12.0971 12.2136 12.2136 12.5076 12.5076 13.0965 13.0965 13.4464 13.4464 14.9598 14.9598 k = 0.0000 0.5000 0.2352 ( 1688 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3054 -21.3054 -21.2224 -21.2224 -20.6453 -20.6453 -20.5939 -20.5939 -20.4055 -20.4055 -20.3457 -20.3457 5.1071 5.1071 7.5891 7.5891 9.8917 9.8917 12.1085 12.1085 12.2474 12.2474 12.5164 12.5164 13.0808 13.0808 13.4333 13.4333 14.9818 14.9818 k = 0.0000 0.5000 0.2443 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3068 -21.3068 -21.2232 -21.2232 -20.6450 -20.6450 -20.5935 -20.5935 -20.4047 -20.4047 -20.3451 -20.3451 5.0956 5.0956 7.6074 7.6074 9.8816 9.8816 12.1190 12.1190 12.2797 12.2797 12.5237 12.5237 13.0667 13.0667 13.4215 13.4215 15.0018 15.0018 k = 0.0000 0.5000 0.2533 ( 1688 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3080 -21.3080 -21.2239 -21.2239 -20.6448 -20.6448 -20.5930 -20.5930 -20.4038 -20.4038 -20.3445 -20.3445 5.0854 5.0854 7.6238 7.6238 9.8727 9.8727 12.1285 12.1285 12.3102 12.3102 12.5292 12.5292 13.0542 13.0542 13.4110 13.4110 15.0196 15.0196 k = 0.0000 0.5000 0.2624 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3092 -21.3092 -21.2245 -21.2245 -20.6446 -20.6446 -20.5927 -20.5927 -20.4031 -20.4031 -20.3440 -20.3440 5.0765 5.0765 7.6382 7.6382 9.8648 9.8648 12.1369 12.1369 12.3386 12.3386 12.5330 12.5330 13.0434 13.0434 13.4019 13.4019 15.0352 15.0352 k = 0.0000 0.5000 0.2714 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3101 -21.3101 -21.2250 -21.2250 -20.6444 -20.6444 -20.5924 -20.5924 -20.4025 -20.4025 -20.3435 -20.3435 5.0689 5.0689 7.6505 7.6505 9.8581 9.8581 12.1441 12.1441 12.3645 12.3645 12.5351 12.5351 13.0341 13.0341 13.3941 13.3941 15.0484 15.0484 k = 0.0000 0.5000 0.2805 ( 1696 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3109 -21.3109 -21.2255 -21.2255 -20.6442 -20.6442 -20.5922 -20.5922 -20.4020 -20.4020 -20.3432 -20.3432 5.0626 5.0626 7.6607 7.6607 9.8526 9.8526 12.1501 12.1501 12.3874 12.3874 12.5356 12.5356 13.0266 13.0266 13.3878 13.3878 15.0593 15.0593 k = 0.0000 0.5000 0.2895 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3115 -21.3115 -21.2258 -21.2258 -20.6441 -20.6441 -20.5919 -20.5919 -20.4015 -20.4015 -20.3428 -20.3428 5.0577 5.0577 7.6688 7.6688 9.8483 9.8483 12.1548 12.1548 12.4068 12.4068 12.5347 12.5347 13.0207 13.0207 13.3828 13.3828 15.0679 15.0679 k = 0.0000 0.5000 0.2986 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3119 -21.3119 -21.2261 -21.2261 -20.6440 -20.6440 -20.5918 -20.5918 -20.4013 -20.4013 -20.3426 -20.3426 5.0542 5.0542 7.6745 7.6745 9.8452 9.8452 12.1582 12.1582 12.4219 12.4219 12.5330 12.5330 13.0165 13.0165 13.3792 13.3792 15.0740 15.0740 k = 0.0000 0.5000 0.3076 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3122 -21.3122 -21.2262 -21.2262 -20.6440 -20.6440 -20.5917 -20.5917 -20.4011 -20.4011 -20.3425 -20.3425 5.0521 5.0521 7.6780 7.6780 9.8433 9.8433 12.1603 12.1603 12.4317 12.4317 12.5314 12.5314 13.0140 13.0140 13.3771 13.3771 15.0777 15.0777 k = 0.0000 0.5000 0.3167 ( 1692 PWs) bands (ev): -44.4614 -44.4614 -44.4560 -44.4560 -21.3123 -21.3123 -21.2263 -21.2263 -20.6439 -20.6439 -20.5917 -20.5917 -20.4010 -20.4010 -20.3424 -20.3424 5.0514 5.0514 7.6791 7.6791 9.8427 9.8427 12.1610 12.1610 12.4351 12.4351 12.5307 12.5307 13.0131 13.0131 13.3764 13.3764 15.0789 15.0789 k = 0.5000 0.5000-0.0000 ( 1640 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3457 -21.3457 -21.2725 -21.2725 -20.7143 -20.7143 -20.6744 -20.6744 -20.5349 -20.5349 -20.5014 -20.5014 6.0795 6.0795 8.0446 8.0446 9.7628 9.7628 9.7634 9.7634 10.8461 10.8461 14.9519 14.9519 15.2658 15.2658 15.2681 15.2681 15.3406 15.3406 k = 0.5000 0.5000 0.0090 ( 1640 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3457 -21.3457 -21.2725 -21.2725 -20.7143 -20.7143 -20.6744 -20.6744 -20.5349 -20.5349 -20.5015 -20.5015 6.0803 6.0803 8.0432 8.0432 9.7640 9.7640 9.7646 9.7646 10.8471 10.8471 14.9539 14.9539 15.2352 15.2352 15.2654 15.2654 15.2678 15.2678 k = 0.5000 0.5000 0.0181 ( 1640 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3455 -21.3455 -21.2726 -21.2726 -20.7143 -20.7143 -20.6745 -20.6745 -20.5350 -20.5350 -20.5016 -20.5016 6.0827 6.0827 8.0393 8.0393 9.7676 9.7676 9.7682 9.7682 10.8502 10.8502 14.9602 14.9602 15.1244 15.1244 15.2572 15.2572 15.2574 15.2574 k = 0.5000 0.5000 0.0271 ( 1648 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3452 -21.3452 -21.2726 -21.2726 -20.7143 -20.7143 -20.6746 -20.6746 -20.5352 -20.5352 -20.5019 -20.5019 6.0866 6.0866 8.0326 8.0326 9.7735 9.7735 9.7741 9.7741 10.8554 10.8554 14.9706 14.9706 15.0121 15.0121 15.2435 15.2435 15.2435 15.2435 k = 0.5000 0.5000 0.0362 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3448 -21.3448 -21.2727 -21.2727 -20.7143 -20.7143 -20.6748 -20.6748 -20.5355 -20.5355 -20.5023 -20.5023 6.0922 6.0922 8.0234 8.0234 9.7818 9.7818 9.7824 9.7824 10.8626 10.8626 14.9006 14.9006 14.9850 14.9850 15.2246 15.2246 15.2246 15.2246 k = 0.5000 0.5000 0.0452 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3442 -21.3442 -21.2728 -21.2728 -20.7142 -20.7142 -20.6749 -20.6749 -20.5357 -20.5357 -20.5028 -20.5028 6.0993 6.0993 8.0117 8.0117 9.7923 9.7923 9.7929 9.7929 10.8719 10.8719 14.7901 14.7901 15.0036 15.0036 15.2005 15.2005 15.2006 15.2006 k = 0.5000 0.5000 0.0543 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3435 -21.3435 -21.2729 -21.2729 -20.7140 -20.7140 -20.6751 -20.6751 -20.5360 -20.5360 -20.5033 -20.5033 6.1080 6.1080 7.9975 7.9975 9.8052 9.8052 9.8058 9.8058 10.8832 10.8832 14.6806 14.6806 15.0260 15.0260 15.1714 15.1714 15.1716 15.1716 k = 0.5000 0.5000 0.0633 ( 1668 PWs) bands (ev): -44.4179 -44.4179 -44.4179 -44.4179 -21.3428 -21.3428 -21.2730 -21.2730 -20.7140 -20.7140 -20.6755 -20.6755 -20.5364 -20.5364 -20.5039 -20.5039 6.1182 6.1182 7.9808 7.9808 9.8202 9.8202 9.8208 9.8208 10.8966 10.8966 14.5722 14.5722 15.0521 15.0521 15.1375 15.1375 15.1383 15.1383 k = 0.5000 0.5000 0.0724 ( 1668 PWs) bands (ev): -44.4179 -44.4179 -44.4179 -44.4179 -21.3418 -21.3418 -21.2731 -21.2731 -20.7138 -20.7138 -20.6757 -20.6757 -20.5367 -20.5367 -20.5046 -20.5046 6.1300 6.1300 7.9618 7.9618 9.8375 9.8375 9.8380 9.8380 10.9120 10.9120 14.4648 14.4648 15.0782 15.0782 15.0991 15.0991 15.1042 15.1042 k = 0.5000 0.5000 0.0814 ( 1660 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3407 -21.3407 -21.2732 -21.2732 -20.7135 -20.7135 -20.6760 -20.6760 -20.5370 -20.5370 -20.5053 -20.5053 6.1433 6.1433 7.9405 7.9405 9.8568 9.8568 9.8574 9.8574 10.9295 10.9295 14.3586 14.3586 15.0539 15.0539 15.0565 15.0565 15.1202 15.1202 k = 0.5000 0.5000 0.0905 ( 1660 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3396 -21.3396 -21.2734 -21.2734 -20.7132 -20.7132 -20.6764 -20.6764 -20.5374 -20.5374 -20.5061 -20.5061 6.1581 6.1581 7.9170 7.9170 9.8781 9.8781 9.8787 9.8787 10.9490 10.9490 14.2536 14.2536 15.0083 15.0083 15.0099 15.0099 15.1573 15.1573 k = 0.5000 0.5000 0.0995 ( 1668 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3383 -21.3383 -21.2736 -21.2736 -20.7130 -20.7130 -20.6768 -20.6768 -20.5380 -20.5380 -20.5071 -20.5071 6.1744 6.1744 7.8914 7.8914 9.9014 9.9014 9.9019 9.9019 10.9705 10.9705 14.1497 14.1497 14.9583 14.9583 14.9597 14.9597 15.1987 15.1987 k = 0.5000 0.5000 0.1086 ( 1676 PWs) bands (ev): -44.4179 -44.4179 -44.4179 -44.4179 -21.3370 -21.3370 -21.2738 -21.2738 -20.7128 -20.7128 -20.6773 -20.6773 -20.5384 -20.5384 -20.5082 -20.5082 6.1922 6.1922 7.8639 7.8639 9.9265 9.9265 9.9270 9.9270 10.9941 10.9941 14.0470 14.0470 14.9050 14.9050 14.9063 14.9063 15.2439 15.2439 k = 0.5000 0.5000 0.1176 ( 1676 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3355 -21.3355 -21.2741 -21.2741 -20.7125 -20.7125 -20.6778 -20.6778 -20.5389 -20.5389 -20.5092 -20.5092 6.2115 6.2115 7.8345 7.8345 9.9532 9.9532 9.9538 9.9538 11.0197 11.0197 13.9456 13.9456 14.8487 14.8487 14.8499 14.8499 15.2925 15.2925 k = 0.5000 0.5000 0.1267 ( 1672 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3339 -21.3339 -21.2743 -21.2743 -20.7121 -20.7121 -20.6782 -20.6782 -20.5393 -20.5393 -20.5103 -20.5103 6.2322 6.2322 7.8033 7.8033 9.9816 9.9816 9.9822 9.9822 11.0473 11.0473 13.8454 13.8454 14.7899 14.7899 14.7911 14.7911 15.3445 15.3445 k = 0.5000 0.5000 0.1357 ( 1672 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3323 -21.3323 -21.2746 -21.2746 -20.7117 -20.7117 -20.6788 -20.6788 -20.5397 -20.5397 -20.5115 -20.5115 6.2543 6.2543 7.7705 7.7705 10.0114 10.0114 10.0120 10.0120 11.0768 11.0768 13.7466 13.7466 14.7291 14.7291 14.7303 14.7303 15.3998 15.3998 k = 0.5000 0.5000 0.1448 ( 1680 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3306 -21.3306 -21.2751 -21.2751 -20.7113 -20.7113 -20.6794 -20.6794 -20.5402 -20.5402 -20.5127 -20.5127 6.2779 6.2779 7.7361 7.7361 10.0425 10.0425 10.0430 10.0430 11.1084 11.1084 13.6489 13.6489 14.6666 14.6666 14.6677 14.6677 15.4582 15.4582 k = 0.5000 0.5000 0.1538 ( 1680 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3289 -21.3289 -21.2755 -21.2755 -20.7108 -20.7108 -20.6801 -20.6801 -20.5405 -20.5405 -20.5140 -20.5140 6.3027 6.3027 7.7003 7.7003 10.0746 10.0746 10.0752 10.0752 11.1420 11.1420 13.5527 13.5527 14.6029 14.6029 14.6040 14.6040 15.5196 15.5196 k = 0.5000 0.5000 0.1629 ( 1680 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3270 -21.3270 -21.2759 -21.2759 -20.7103 -20.7103 -20.6807 -20.6807 -20.5409 -20.5409 -20.5153 -20.5153 6.3290 6.3290 7.6632 7.6632 10.1077 10.1077 10.1082 10.1082 11.1775 11.1775 13.4578 13.4578 14.5384 14.5384 14.5396 14.5396 15.5839 15.5839 k = 0.5000 0.5000 0.1719 ( 1668 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3250 -21.3250 -21.2763 -21.2763 -20.7097 -20.7097 -20.6814 -20.6814 -20.5410 -20.5410 -20.5165 -20.5165 6.3565 6.3565 7.6250 7.6250 10.1414 10.1414 10.1419 10.1419 11.2150 11.2150 13.3642 13.3642 14.4737 14.4737 14.4749 14.4749 15.6510 15.6510 k = 0.5000 0.5000 0.1809 ( 1668 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3231 -21.3231 -21.2769 -21.2769 -20.7091 -20.7091 -20.6822 -20.6822 -20.5413 -20.5413 -20.5178 -20.5178 6.3853 6.3853 7.5857 7.5857 10.1756 10.1756 10.1761 10.1761 11.2545 11.2545 13.2721 13.2721 14.4092 14.4092 14.4103 14.4103 15.7205 15.7205 k = 0.5000 0.5000 0.1900 ( 1652 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3210 -21.3210 -21.2774 -21.2774 -20.7084 -20.7084 -20.6828 -20.6828 -20.5414 -20.5414 -20.5191 -20.5191 6.4153 6.4153 7.5455 7.5455 10.2099 10.2099 10.2104 10.2104 11.2959 11.2959 13.1813 13.1813 14.3454 14.3454 14.3465 14.3465 15.7920 15.7920 k = 0.5000 0.5000 0.1990 ( 1644 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3189 -21.3189 -21.2780 -21.2780 -20.7077 -20.7077 -20.6836 -20.6836 -20.5415 -20.5415 -20.5204 -20.5204 6.4465 6.4465 7.5045 7.5045 10.2441 10.2441 10.2446 10.2446 11.3392 11.3392 13.0920 13.0920 14.2828 14.2828 14.2838 14.2838 15.8526 15.8526 k = 0.5000 0.5000 0.2081 ( 1644 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3169 -21.3169 -21.2788 -21.2788 -20.7070 -20.7070 -20.6844 -20.6844 -20.5415 -20.5415 -20.5218 -20.5218 6.4789 6.4789 7.4626 7.4626 10.2779 10.2779 10.2784 10.2784 11.3844 11.3844 13.0042 13.0042 14.2219 14.2219 14.2229 14.2229 15.8602 15.8610 k = 0.5000 0.5000 0.2171 ( 1644 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3148 -21.3148 -21.2796 -21.2796 -20.7063 -20.7063 -20.6853 -20.6853 -20.5416 -20.5416 -20.5231 -20.5231 6.5124 6.5124 7.4202 7.4202 10.3110 10.3110 10.3114 10.3114 11.4315 11.4315 12.9178 12.9178 14.1633 14.1633 14.1641 14.1641 15.8611 15.8612 k = 0.5000 0.5000 0.2262 ( 1652 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3128 -21.3128 -21.2806 -21.2806 -20.7056 -20.7056 -20.6863 -20.6863 -20.5416 -20.5416 -20.5246 -20.5246 6.5470 6.5470 7.3772 7.3772 10.3430 10.3430 10.3434 10.3434 11.4805 11.4805 12.8330 12.8330 14.1073 14.1073 14.1081 14.1081 15.8615 15.8615 k = 0.5000 0.5000 0.2352 ( 1652 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3108 -21.3108 -21.2816 -21.2816 -20.7048 -20.7048 -20.6872 -20.6872 -20.5415 -20.5415 -20.5260 -20.5260 6.5826 6.5826 7.3339 7.3339 10.3735 10.3735 10.3738 10.3738 11.5314 11.5314 12.7496 12.7496 14.0546 14.0546 14.0554 14.0554 15.8617 15.8617 k = 0.5000 0.5000 0.2443 ( 1652 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3088 -21.3088 -21.2826 -21.2826 -20.7040 -20.7040 -20.6882 -20.6882 -20.5413 -20.5413 -20.5273 -20.5273 6.6192 6.6192 7.2902 7.2902 10.4022 10.4022 10.4025 10.4025 11.5842 11.5842 12.6678 12.6678 14.0057 14.0057 14.0064 14.0064 15.8618 15.8618 k = 0.5000 0.5000 0.2533 ( 1648 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3067 -21.3067 -21.2837 -21.2837 -20.7031 -20.7031 -20.6892 -20.6892 -20.5409 -20.5409 -20.5286 -20.5286 6.6567 6.6567 7.2464 7.2464 10.4286 10.4286 10.4290 10.4290 11.6388 11.6388 12.5876 12.5876 13.9611 13.9611 13.9617 13.9617 15.8619 15.8619 k = 0.5000 0.5000 0.2624 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3048 -21.3048 -21.2850 -21.2850 -20.7023 -20.7023 -20.6903 -20.6903 -20.5406 -20.5406 -20.5299 -20.5299 6.6951 6.6951 7.2024 7.2024 10.4525 10.4525 10.4528 10.4528 11.6952 11.6952 12.5089 12.5089 13.9212 13.9212 13.9217 13.9217 15.8619 15.8619 k = 0.5000 0.5000 0.2714 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3029 -21.3029 -21.2863 -21.2863 -20.7014 -20.7014 -20.6913 -20.6913 -20.5401 -20.5401 -20.5312 -20.5312 6.7343 6.7343 7.1583 7.1583 10.4735 10.4735 10.4737 10.4737 11.7534 11.7534 12.4319 12.4319 13.8866 13.8866 13.8871 13.8871 15.8620 15.8620 k = 0.5000 0.5000 0.2805 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.3009 -21.3009 -21.2876 -21.2876 -20.7004 -20.7004 -20.6923 -20.6923 -20.5396 -20.5396 -20.5323 -20.5323 6.7743 6.7743 7.1144 7.1144 10.4912 10.4912 10.4914 10.4914 11.8135 11.8135 12.3564 12.3564 13.8576 13.8576 13.8580 13.8580 15.8620 15.8620 k = 0.5000 0.5000 0.2895 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.2991 -21.2991 -21.2891 -21.2891 -20.6995 -20.6995 -20.6934 -20.6934 -20.5389 -20.5389 -20.5335 -20.5335 6.8150 6.8150 7.0706 7.0706 10.5053 10.5053 10.5054 10.5054 11.8753 11.8753 12.2826 12.2826 13.8347 13.8347 13.8350 13.8350 15.8621 15.8621 k = 0.5000 0.5000 0.2986 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.2973 -21.2973 -21.2906 -21.2906 -20.6985 -20.6985 -20.6944 -20.6944 -20.5382 -20.5382 -20.5346 -20.5346 6.8563 6.8563 7.0270 7.0270 10.5156 10.5156 10.5157 10.5157 11.9389 11.9389 12.2105 12.2105 13.8182 13.8182 13.8183 13.8183 15.8621 15.8621 k = 0.5000 0.5000 0.3076 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.2955 -21.2955 -21.2921 -21.2921 -20.6975 -20.6975 -20.6954 -20.6954 -20.5374 -20.5374 -20.5356 -20.5356 6.8983 6.8983 6.9837 6.9837 10.5218 10.5218 10.5219 10.5219 12.0042 12.0042 12.1400 12.1400 13.8081 13.8081 13.8082 13.8082 15.8621 15.8622 k = 0.5000 0.5000 0.3167 ( 1656 PWs) bands (ev): -44.4178 -44.4178 -44.4178 -44.4178 -21.2938 -21.2938 -21.2938 -21.2938 -20.6965 -20.6965 -20.6965 -20.6965 -20.5365 -20.5365 -20.5365 -20.5365 6.9407 6.9407 6.9407 6.9407 10.5239 10.5239 10.5239 10.5239 12.0712 12.0712 12.0712 12.0712 13.8048 13.8048 13.8048 13.8048 15.8621 15.8621 Writing output data file TiH.save init_run : 4.15s CPU 13.57s WALL ( 1 calls) electrons : 285.48s CPU 290.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 285.42s CPU 290.21s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.87s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.21s CPU 0.56s WALL ( 1 calls) newd : 0.36s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.11s WALL ( 484 calls) cegterg : 264.91s CPU 267.02s WALL ( 1060 calls) Called by sum_band: Called by *egterg: h_psi : 107.64s CPU 115.33s WALL ( 17731 calls) s_psi : 10.49s CPU 11.50s WALL ( 17731 calls) g_psi : 0.16s CPU 0.28s WALL ( 16187 calls) cdiaghg : 110.17s CPU 106.54s WALL ( 16671 calls) cegterg:over : 22.03s CPU 18.84s WALL ( 16187 calls) cegterg:upda : 1.43s CPU 3.81s WALL ( 16187 calls) cegterg:last : 1.96s CPU 2.79s WALL ( 2521 calls) Called by h_psi: h_psi:vloc : 87.05s CPU 94.33s WALL ( 17731 calls) h_psi:vnl : 20.50s CPU 20.64s WALL ( 17731 calls) add_vuspsi : 4.74s CPU 8.30s WALL ( 17731 calls) General routines calbec : 15.71s CPU 12.20s WALL ( 17731 calls) fft : 0.35s CPU 1.36s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 81.84s CPU 88.02s WALL ( 1028876 calls) interpolate : 0.03s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 0.68s WALL ( 968 calls) Parallel routines fft_scatter : 62.53s CPU 65.97s WALL ( 1028899 calls) PWSCF : 5m28.84s CPU 6m32.16s WALL This run was terminated on: 23:17:58 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. 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