Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:56:27 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiH.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 22 6 736 736 118 Max 23 23 7 743 743 127 Sum 797 797 241 26597 26597 4411 bravais-lattice index = 14 lattice parameter (alat) = 5.6256 a.u. unit-cell volume = 275.0987 (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 = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.625562 celldm(2)= 1.000000 celldm(3)= 1.545221 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 1.545221 ) 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 0.647156 ) PseudoPot. # 1 for H read from file: /users/gautes/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: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 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 ) ( 0.7726107 ) 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 ) ( 0.7726107 ) 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 ) ( 0.7726107 ) 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 ) ( 0.7726107 ) 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 ) ( 0.7726107 ) 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 ) ( 0.7726107 ) 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 ) ( 0.7726107 ) 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 ) ( 0.7726107 ) 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 and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 476 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0000000 0.0094340 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0000000 0.0188679 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0000000 0.0377359 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0000000 0.0471698 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0021008 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0000000 0.0754717 -0.0000000), wk = 0.0021008 k( 10) = ( 0.0000000 0.0849057 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0000000 0.0943396 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0021008 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0021008 k( 14) = ( 0.0000000 0.1226415 -0.0000000), wk = 0.0021008 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0021008 k( 16) = ( 0.0000000 0.1415094 -0.0000000), wk = 0.0021008 k( 17) = ( 0.0000000 0.1509434 -0.0000000), wk = 0.0021008 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0021008 k( 19) = ( 0.0000000 0.1698113 -0.0000000), wk = 0.0021008 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0021008 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0021008 k( 22) = ( 0.0000000 0.1981132 -0.0000000), wk = 0.0021008 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0021008 k( 24) = ( 0.0000000 0.2169811 -0.0000000), wk = 0.0021008 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0021008 k( 26) = ( 0.0000000 0.2358491 -0.0000000), wk = 0.0021008 k( 27) = ( 0.0000000 0.2452830 -0.0000000), wk = 0.0021008 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0021008 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0021008 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0021008 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0021008 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0021008 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0021008 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0021008 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0021008 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0021008 k( 37) = ( 0.0000000 0.3396226 -0.0000000), wk = 0.0021008 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0021008 k( 39) = ( 0.0000000 0.3584906 -0.0000000), wk = 0.0021008 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0021008 k( 41) = ( 0.0000000 0.3773585 -0.0000000), wk = 0.0021008 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0021008 k( 43) = ( 0.0000000 0.3962264 -0.0000000), wk = 0.0021008 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0021008 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0021008 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0021008 k( 47) = ( 0.0000000 0.4339623 -0.0000000), wk = 0.0021008 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0021008 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0021008 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0021008 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0021008 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0021008 k( 53) = ( 0.0000000 0.4905660 -0.0000000), wk = 0.0021008 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021008 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021008 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0021008 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0021008 k( 58) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0021008 k( 59) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0021008 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0021008 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0021008 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0021008 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0021008 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0021008 k( 65) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0021008 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0021008 k( 67) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0021008 k( 68) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0021008 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0021008 k( 70) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0021008 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0021008 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0021008 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0021008 k( 74) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0021008 k( 75) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0021008 k( 76) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0021008 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0021008 k( 82) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0021008 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0021008 k( 84) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0021008 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0021008 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0021008 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0021008 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0021008 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0021008 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0021008 k( 91) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0021008 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0021008 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0021008 k( 94) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0021008 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0021008 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0021008 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0021008 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0021008 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0021008 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0021008 k( 101) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0021008 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0021008 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0021008 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0021008 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0021008 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0021008 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0021008 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 110) = ( 0.4933333 0.4933333 -0.0000000), wk = 0.0021008 k( 111) = ( 0.4866667 0.4866667 -0.0000000), wk = 0.0021008 k( 112) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0021008 k( 113) = ( 0.4733333 0.4733333 -0.0000000), wk = 0.0021008 k( 114) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0021008 k( 115) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0021008 k( 116) = ( 0.4533333 0.4533333 -0.0000000), wk = 0.0021008 k( 117) = ( 0.4466667 0.4466667 -0.0000000), wk = 0.0021008 k( 118) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0021008 k( 119) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0021008 k( 120) = ( 0.4266667 0.4266667 -0.0000000), wk = 0.0021008 k( 121) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0021008 k( 122) = ( 0.4133333 0.4133333 -0.0000000), wk = 0.0021008 k( 123) = ( 0.4066667 0.4066667 -0.0000000), wk = 0.0021008 k( 124) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0021008 k( 125) = ( 0.3933333 0.3933333 -0.0000000), wk = 0.0021008 k( 126) = ( 0.3866667 0.3866667 -0.0000000), wk = 0.0021008 k( 127) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0021008 k( 128) = ( 0.3733333 0.3733333 -0.0000000), wk = 0.0021008 k( 129) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0021008 k( 130) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0021008 k( 131) = ( 0.3533333 0.3533333 -0.0000000), wk = 0.0021008 k( 132) = ( 0.3466667 0.3466667 -0.0000000), wk = 0.0021008 k( 133) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0021008 k( 134) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021008 k( 135) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0021008 k( 136) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0021008 k( 137) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0021008 k( 138) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0021008 k( 139) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021008 k( 140) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0021008 k( 141) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0021008 k( 142) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0021008 k( 143) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0021008 k( 144) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0021008 k( 145) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0021008 k( 146) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0021008 k( 147) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0021008 k( 148) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0021008 k( 149) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0021008 k( 150) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0021008 k( 151) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0021008 k( 152) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0021008 k( 153) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0021008 k( 154) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0021008 k( 155) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0021008 k( 156) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0021008 k( 157) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0021008 k( 158) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0021008 k( 159) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0021008 k( 160) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0021008 k( 161) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0021008 k( 162) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0021008 k( 163) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0021008 k( 164) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0021008 k( 165) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0021008 k( 166) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0021008 k( 167) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0021008 k( 168) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0021008 k( 169) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0021008 k( 170) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0021008 k( 171) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0021008 k( 172) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0021008 k( 173) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0021008 k( 174) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0021008 k( 175) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0021008 k( 176) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0021008 k( 177) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0021008 k( 178) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0021008 k( 179) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0021008 k( 180) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0021008 k( 181) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0021008 k( 182) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0021008 k( 183) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0021008 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 186) = ( 0.0000000 0.0000000 0.0092451), wk = 0.0021008 k( 187) = ( 0.0000000 0.0000000 0.0184902), wk = 0.0021008 k( 188) = ( 0.0000000 0.0000000 0.0277353), wk = 0.0021008 k( 189) = ( 0.0000000 0.0000000 0.0369804), wk = 0.0021008 k( 190) = ( 0.0000000 0.0000000 0.0462255), wk = 0.0021008 k( 191) = ( 0.0000000 0.0000000 0.0554706), wk = 0.0021008 k( 192) = ( 0.0000000 0.0000000 0.0647156), wk = 0.0021008 k( 193) = ( 0.0000000 0.0000000 0.0739607), wk = 0.0021008 k( 194) = ( 0.0000000 0.0000000 0.0832058), wk = 0.0021008 k( 195) = ( 0.0000000 0.0000000 0.0924509), wk = 0.0021008 k( 196) = ( 0.0000000 0.0000000 0.1016960), wk = 0.0021008 k( 197) = ( 0.0000000 0.0000000 0.1109411), wk = 0.0021008 k( 198) = ( 0.0000000 0.0000000 0.1201862), wk = 0.0021008 k( 199) = ( 0.0000000 0.0000000 0.1294313), wk = 0.0021008 k( 200) = ( 0.0000000 0.0000000 0.1386764), wk = 0.0021008 k( 201) = ( 0.0000000 0.0000000 0.1479215), wk = 0.0021008 k( 202) = ( 0.0000000 0.0000000 0.1571666), wk = 0.0021008 k( 203) = ( 0.0000000 0.0000000 0.1664117), wk = 0.0021008 k( 204) = ( 0.0000000 0.0000000 0.1756567), wk = 0.0021008 k( 205) = ( 0.0000000 0.0000000 0.1849018), wk = 0.0021008 k( 206) = ( 0.0000000 0.0000000 0.1941469), wk = 0.0021008 k( 207) = ( 0.0000000 0.0000000 0.2033920), wk = 0.0021008 k( 208) = ( 0.0000000 0.0000000 0.2126371), wk = 0.0021008 k( 209) = ( 0.0000000 0.0000000 0.2218822), wk = 0.0021008 k( 210) = ( 0.0000000 0.0000000 0.2311273), wk = 0.0021008 k( 211) = ( 0.0000000 0.0000000 0.2403724), wk = 0.0021008 k( 212) = ( 0.0000000 0.0000000 0.2496175), wk = 0.0021008 k( 213) = ( 0.0000000 0.0000000 0.2588626), wk = 0.0021008 k( 214) = ( 0.0000000 0.0000000 0.2681077), wk = 0.0021008 k( 215) = ( 0.0000000 0.0000000 0.2773528), wk = 0.0021008 k( 216) = ( 0.0000000 0.0000000 0.2865978), wk = 0.0021008 k( 217) = ( 0.0000000 0.0000000 0.2958429), wk = 0.0021008 k( 218) = ( 0.0000000 0.0000000 0.3050880), wk = 0.0021008 k( 219) = ( 0.0000000 0.0000000 0.3143331), wk = 0.0021008 k( 220) = ( 0.0000000 0.0000000 0.3235782), wk = 0.0021008 k( 221) = ( 0.0000000 0.0000000 0.3235782), wk = 0.0021008 k( 222) = ( 0.0000000 0.0094340 0.3235782), wk = 0.0021008 k( 223) = ( 0.0000000 0.0188679 0.3235782), wk = 0.0021008 k( 224) = ( 0.0000000 0.0283019 0.3235782), wk = 0.0021008 k( 225) = ( 0.0000000 0.0377359 0.3235782), wk = 0.0021008 k( 226) = ( 0.0000000 0.0471698 0.3235782), wk = 0.0021008 k( 227) = ( 0.0000000 0.0566038 0.3235782), wk = 0.0021008 k( 228) = ( 0.0000000 0.0660377 0.3235782), wk = 0.0021008 k( 229) = ( 0.0000000 0.0754717 0.3235782), wk = 0.0021008 k( 230) = ( 0.0000000 0.0849057 0.3235782), wk = 0.0021008 k( 231) = ( 0.0000000 0.0943396 0.3235782), wk = 0.0021008 k( 232) = ( 0.0000000 0.1037736 0.3235782), wk = 0.0021008 k( 233) = ( 0.0000000 0.1132076 0.3235782), wk = 0.0021008 k( 234) = ( 0.0000000 0.1226415 0.3235782), wk = 0.0021008 k( 235) = ( 0.0000000 0.1320755 0.3235782), wk = 0.0021008 k( 236) = ( 0.0000000 0.1415094 0.3235782), wk = 0.0021008 k( 237) = ( 0.0000000 0.1509434 0.3235782), wk = 0.0021008 k( 238) = ( 0.0000000 0.1603774 0.3235782), wk = 0.0021008 k( 239) = ( 0.0000000 0.1698113 0.3235782), wk = 0.0021008 k( 240) = ( 0.0000000 0.1792453 0.3235782), wk = 0.0021008 k( 241) = ( 0.0000000 0.1886792 0.3235782), wk = 0.0021008 k( 242) = ( 0.0000000 0.1981132 0.3235782), wk = 0.0021008 k( 243) = ( 0.0000000 0.2075472 0.3235782), wk = 0.0021008 k( 244) = ( 0.0000000 0.2169811 0.3235782), wk = 0.0021008 k( 245) = ( 0.0000000 0.2264151 0.3235782), wk = 0.0021008 k( 246) = ( 0.0000000 0.2358491 0.3235782), wk = 0.0021008 k( 247) = ( 0.0000000 0.2452830 0.3235782), wk = 0.0021008 k( 248) = ( 0.0000000 0.2547170 0.3235782), wk = 0.0021008 k( 249) = ( 0.0000000 0.2641509 0.3235782), wk = 0.0021008 k( 250) = ( 0.0000000 0.2735849 0.3235782), wk = 0.0021008 k( 251) = ( 0.0000000 0.2830189 0.3235782), wk = 0.0021008 k( 252) = ( 0.0000000 0.2924528 0.3235782), wk = 0.0021008 k( 253) = ( 0.0000000 0.3018868 0.3235782), wk = 0.0021008 k( 254) = ( 0.0000000 0.3113207 0.3235782), wk = 0.0021008 k( 255) = ( 0.0000000 0.3207547 0.3235782), wk = 0.0021008 k( 256) = ( 0.0000000 0.3301887 0.3235782), wk = 0.0021008 k( 257) = ( 0.0000000 0.3396226 0.3235782), wk = 0.0021008 k( 258) = ( 0.0000000 0.3490566 0.3235782), wk = 0.0021008 k( 259) = ( 0.0000000 0.3584906 0.3235782), wk = 0.0021008 k( 260) = ( 0.0000000 0.3679245 0.3235782), wk = 0.0021008 k( 261) = ( 0.0000000 0.3773585 0.3235782), wk = 0.0021008 k( 262) = ( 0.0000000 0.3867925 0.3235782), wk = 0.0021008 k( 263) = ( 0.0000000 0.3962264 0.3235782), wk = 0.0021008 k( 264) = ( 0.0000000 0.4056604 0.3235782), wk = 0.0021008 k( 265) = ( 0.0000000 0.4150943 0.3235782), wk = 0.0021008 k( 266) = ( 0.0000000 0.4245283 0.3235782), wk = 0.0021008 k( 267) = ( 0.0000000 0.4339623 0.3235782), wk = 0.0021008 k( 268) = ( 0.0000000 0.4433962 0.3235782), wk = 0.0021008 k( 269) = ( 0.0000000 0.4528302 0.3235782), wk = 0.0021008 k( 270) = ( 0.0000000 0.4622641 0.3235782), wk = 0.0021008 k( 271) = ( 0.0000000 0.4716981 0.3235782), wk = 0.0021008 k( 272) = ( 0.0000000 0.4811321 0.3235782), wk = 0.0021008 k( 273) = ( 0.0000000 0.4905660 0.3235782), wk = 0.0021008 k( 274) = ( 0.0000000 0.5000000 0.3235782), wk = 0.0021008 k( 275) = ( 0.0000000 0.5000000 0.3235782), wk = 0.0021008 k( 276) = ( 0.0094340 0.5000000 0.3235782), wk = 0.0021008 k( 277) = ( 0.0188679 0.5000000 0.3235782), wk = 0.0021008 k( 278) = ( 0.0283019 0.5000000 0.3235782), wk = 0.0021008 k( 279) = ( 0.0377359 0.5000000 0.3235782), wk = 0.0021008 k( 280) = ( 0.0471698 0.5000000 0.3235782), wk = 0.0021008 k( 281) = ( 0.0566038 0.5000000 0.3235782), wk = 0.0021008 k( 282) = ( 0.0660377 0.5000000 0.3235782), wk = 0.0021008 k( 283) = ( 0.0754717 0.5000000 0.3235782), wk = 0.0021008 k( 284) = ( 0.0849057 0.5000000 0.3235782), wk = 0.0021008 k( 285) = ( 0.0943396 0.5000000 0.3235782), wk = 0.0021008 k( 286) = ( 0.1037736 0.5000000 0.3235782), wk = 0.0021008 k( 287) = ( 0.1132076 0.5000000 0.3235782), wk = 0.0021008 k( 288) = ( 0.1226415 0.5000000 0.3235782), wk = 0.0021008 k( 289) = ( 0.1320755 0.5000000 0.3235782), wk = 0.0021008 k( 290) = ( 0.1415094 0.5000000 0.3235782), wk = 0.0021008 k( 291) = ( 0.1509434 0.5000000 0.3235782), wk = 0.0021008 k( 292) = ( 0.1603774 0.5000000 0.3235782), wk = 0.0021008 k( 293) = ( 0.1698113 0.5000000 0.3235782), wk = 0.0021008 k( 294) = ( 0.1792453 0.5000000 0.3235782), wk = 0.0021008 k( 295) = ( 0.1886792 0.5000000 0.3235782), wk = 0.0021008 k( 296) = ( 0.1981132 0.5000000 0.3235782), wk = 0.0021008 k( 297) = ( 0.2075472 0.5000000 0.3235782), wk = 0.0021008 k( 298) = ( 0.2169811 0.5000000 0.3235782), wk = 0.0021008 k( 299) = ( 0.2264151 0.5000000 0.3235782), wk = 0.0021008 k( 300) = ( 0.2358491 0.5000000 0.3235782), wk = 0.0021008 k( 301) = ( 0.2452830 0.5000000 0.3235782), wk = 0.0021008 k( 302) = ( 0.2547170 0.5000000 0.3235782), wk = 0.0021008 k( 303) = ( 0.2641509 0.5000000 0.3235782), wk = 0.0021008 k( 304) = ( 0.2735849 0.5000000 0.3235782), wk = 0.0021008 k( 305) = ( 0.2830189 0.5000000 0.3235782), wk = 0.0021008 k( 306) = ( 0.2924528 0.5000000 0.3235782), wk = 0.0021008 k( 307) = ( 0.3018868 0.5000000 0.3235782), wk = 0.0021008 k( 308) = ( 0.3113207 0.5000000 0.3235782), wk = 0.0021008 k( 309) = ( 0.3207547 0.5000000 0.3235782), wk = 0.0021008 k( 310) = ( 0.3301887 0.5000000 0.3235782), wk = 0.0021008 k( 311) = ( 0.3396226 0.5000000 0.3235782), wk = 0.0021008 k( 312) = ( 0.3490566 0.5000000 0.3235782), wk = 0.0021008 k( 313) = ( 0.3584906 0.5000000 0.3235782), wk = 0.0021008 k( 314) = ( 0.3679245 0.5000000 0.3235782), wk = 0.0021008 k( 315) = ( 0.3773585 0.5000000 0.3235782), wk = 0.0021008 k( 316) = ( 0.3867925 0.5000000 0.3235782), wk = 0.0021008 k( 317) = ( 0.3962264 0.5000000 0.3235782), wk = 0.0021008 k( 318) = ( 0.4056604 0.5000000 0.3235782), wk = 0.0021008 k( 319) = ( 0.4150943 0.5000000 0.3235782), wk = 0.0021008 k( 320) = ( 0.4245283 0.5000000 0.3235782), wk = 0.0021008 k( 321) = ( 0.4339623 0.5000000 0.3235782), wk = 0.0021008 k( 322) = ( 0.4433962 0.5000000 0.3235782), wk = 0.0021008 k( 323) = ( 0.4528302 0.5000000 0.3235782), wk = 0.0021008 k( 324) = ( 0.4622641 0.5000000 0.3235782), wk = 0.0021008 k( 325) = ( 0.4716981 0.5000000 0.3235782), wk = 0.0021008 k( 326) = ( 0.4811321 0.5000000 0.3235782), wk = 0.0021008 k( 327) = ( 0.4905660 0.5000000 0.3235782), wk = 0.0021008 k( 328) = ( 0.5000000 0.5000000 0.3235782), wk = 0.0021008 k( 329) = ( 0.5000000 0.5000000 0.3235782), wk = 0.0021008 k( 330) = ( 0.4933333 0.4933333 0.3235782), wk = 0.0021008 k( 331) = ( 0.4866667 0.4866667 0.3235782), wk = 0.0021008 k( 332) = ( 0.4800000 0.4800000 0.3235782), wk = 0.0021008 k( 333) = ( 0.4733333 0.4733333 0.3235782), wk = 0.0021008 k( 334) = ( 0.4666667 0.4666667 0.3235782), wk = 0.0021008 k( 335) = ( 0.4600000 0.4600000 0.3235782), wk = 0.0021008 k( 336) = ( 0.4533333 0.4533333 0.3235782), wk = 0.0021008 k( 337) = ( 0.4466667 0.4466667 0.3235782), wk = 0.0021008 k( 338) = ( 0.4400000 0.4400000 0.3235782), wk = 0.0021008 k( 339) = ( 0.4333333 0.4333333 0.3235782), wk = 0.0021008 k( 340) = ( 0.4266667 0.4266667 0.3235782), wk = 0.0021008 k( 341) = ( 0.4200000 0.4200000 0.3235782), wk = 0.0021008 k( 342) = ( 0.4133333 0.4133333 0.3235782), wk = 0.0021008 k( 343) = ( 0.4066667 0.4066667 0.3235782), wk = 0.0021008 k( 344) = ( 0.4000000 0.4000000 0.3235782), wk = 0.0021008 k( 345) = ( 0.3933333 0.3933333 0.3235782), wk = 0.0021008 k( 346) = ( 0.3866667 0.3866667 0.3235782), wk = 0.0021008 k( 347) = ( 0.3800000 0.3800000 0.3235782), wk = 0.0021008 k( 348) = ( 0.3733333 0.3733333 0.3235782), wk = 0.0021008 k( 349) = ( 0.3666667 0.3666667 0.3235782), wk = 0.0021008 k( 350) = ( 0.3600000 0.3600000 0.3235782), wk = 0.0021008 k( 351) = ( 0.3533333 0.3533333 0.3235782), wk = 0.0021008 k( 352) = ( 0.3466667 0.3466667 0.3235782), wk = 0.0021008 k( 353) = ( 0.3400000 0.3400000 0.3235782), wk = 0.0021008 k( 354) = ( 0.3333333 0.3333333 0.3235782), wk = 0.0021008 k( 355) = ( 0.3266667 0.3266667 0.3235782), wk = 0.0021008 k( 356) = ( 0.3200000 0.3200000 0.3235782), wk = 0.0021008 k( 357) = ( 0.3133333 0.3133333 0.3235782), wk = 0.0021008 k( 358) = ( 0.3066667 0.3066667 0.3235782), wk = 0.0021008 k( 359) = ( 0.3000000 0.3000000 0.3235782), wk = 0.0021008 k( 360) = ( 0.2933333 0.2933333 0.3235782), wk = 0.0021008 k( 361) = ( 0.2866667 0.2866667 0.3235782), wk = 0.0021008 k( 362) = ( 0.2800000 0.2800000 0.3235782), wk = 0.0021008 k( 363) = ( 0.2733333 0.2733333 0.3235782), wk = 0.0021008 k( 364) = ( 0.2666667 0.2666667 0.3235782), wk = 0.0021008 k( 365) = ( 0.2600000 0.2600000 0.3235782), wk = 0.0021008 k( 366) = ( 0.2533333 0.2533333 0.3235782), wk = 0.0021008 k( 367) = ( 0.2466667 0.2466667 0.3235782), wk = 0.0021008 k( 368) = ( 0.2400000 0.2400000 0.3235782), wk = 0.0021008 k( 369) = ( 0.2333333 0.2333333 0.3235782), wk = 0.0021008 k( 370) = ( 0.2266667 0.2266667 0.3235782), wk = 0.0021008 k( 371) = ( 0.2200000 0.2200000 0.3235782), wk = 0.0021008 k( 372) = ( 0.2133333 0.2133333 0.3235782), wk = 0.0021008 k( 373) = ( 0.2066667 0.2066667 0.3235782), wk = 0.0021008 k( 374) = ( 0.2000000 0.2000000 0.3235782), wk = 0.0021008 k( 375) = ( 0.1933333 0.1933333 0.3235782), wk = 0.0021008 k( 376) = ( 0.1866667 0.1866667 0.3235782), wk = 0.0021008 k( 377) = ( 0.1800000 0.1800000 0.3235782), wk = 0.0021008 k( 378) = ( 0.1733333 0.1733333 0.3235782), wk = 0.0021008 k( 379) = ( 0.1666667 0.1666667 0.3235782), wk = 0.0021008 k( 380) = ( 0.1600000 0.1600000 0.3235782), wk = 0.0021008 k( 381) = ( 0.1533333 0.1533333 0.3235782), wk = 0.0021008 k( 382) = ( 0.1466667 0.1466667 0.3235782), wk = 0.0021008 k( 383) = ( 0.1400000 0.1400000 0.3235782), wk = 0.0021008 k( 384) = ( 0.1333333 0.1333333 0.3235782), wk = 0.0021008 k( 385) = ( 0.1266667 0.1266667 0.3235782), wk = 0.0021008 k( 386) = ( 0.1200000 0.1200000 0.3235782), wk = 0.0021008 k( 387) = ( 0.1133333 0.1133333 0.3235782), wk = 0.0021008 k( 388) = ( 0.1066667 0.1066667 0.3235782), wk = 0.0021008 k( 389) = ( 0.1000000 0.1000000 0.3235782), wk = 0.0021008 k( 390) = ( 0.0933333 0.0933333 0.3235782), wk = 0.0021008 k( 391) = ( 0.0866667 0.0866667 0.3235782), wk = 0.0021008 k( 392) = ( 0.0800000 0.0800000 0.3235782), wk = 0.0021008 k( 393) = ( 0.0733333 0.0733333 0.3235782), wk = 0.0021008 k( 394) = ( 0.0666667 0.0666667 0.3235782), wk = 0.0021008 k( 395) = ( 0.0600000 0.0600000 0.3235782), wk = 0.0021008 k( 396) = ( 0.0533333 0.0533333 0.3235782), wk = 0.0021008 k( 397) = ( 0.0466667 0.0466667 0.3235782), wk = 0.0021008 k( 398) = ( 0.0400000 0.0400000 0.3235782), wk = 0.0021008 k( 399) = ( 0.0333333 0.0333333 0.3235782), wk = 0.0021008 k( 400) = ( 0.0266667 0.0266667 0.3235782), wk = 0.0021008 k( 401) = ( 0.0200000 0.0200000 0.3235782), wk = 0.0021008 k( 402) = ( 0.0133333 0.0133333 0.3235782), wk = 0.0021008 k( 403) = ( 0.0066667 0.0066667 0.3235782), wk = 0.0021008 k( 404) = ( 0.0000000 0.0000000 0.3235782), wk = 0.0021008 k( 405) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021008 k( 406) = ( 0.0000000 0.5000000 0.0092451), wk = 0.0021008 k( 407) = ( 0.0000000 0.5000000 0.0184902), wk = 0.0021008 k( 408) = ( 0.0000000 0.5000000 0.0277353), wk = 0.0021008 k( 409) = ( 0.0000000 0.5000000 0.0369804), wk = 0.0021008 k( 410) = ( 0.0000000 0.5000000 0.0462255), wk = 0.0021008 k( 411) = ( 0.0000000 0.5000000 0.0554706), wk = 0.0021008 k( 412) = ( 0.0000000 0.5000000 0.0647156), wk = 0.0021008 k( 413) = ( 0.0000000 0.5000000 0.0739607), wk = 0.0021008 k( 414) = ( 0.0000000 0.5000000 0.0832058), wk = 0.0021008 k( 415) = ( 0.0000000 0.5000000 0.0924509), wk = 0.0021008 k( 416) = ( 0.0000000 0.5000000 0.1016960), wk = 0.0021008 k( 417) = ( 0.0000000 0.5000000 0.1109411), wk = 0.0021008 k( 418) = ( 0.0000000 0.5000000 0.1201862), wk = 0.0021008 k( 419) = ( 0.0000000 0.5000000 0.1294313), wk = 0.0021008 k( 420) = ( 0.0000000 0.5000000 0.1386764), wk = 0.0021008 k( 421) = ( 0.0000000 0.5000000 0.1479215), wk = 0.0021008 k( 422) = ( 0.0000000 0.5000000 0.1571666), wk = 0.0021008 k( 423) = ( 0.0000000 0.5000000 0.1664117), wk = 0.0021008 k( 424) = ( 0.0000000 0.5000000 0.1756567), wk = 0.0021008 k( 425) = ( 0.0000000 0.5000000 0.1849018), wk = 0.0021008 k( 426) = ( 0.0000000 0.5000000 0.1941469), wk = 0.0021008 k( 427) = ( 0.0000000 0.5000000 0.2033920), wk = 0.0021008 k( 428) = ( 0.0000000 0.5000000 0.2126371), wk = 0.0021008 k( 429) = ( 0.0000000 0.5000000 0.2218822), wk = 0.0021008 k( 430) = ( 0.0000000 0.5000000 0.2311273), wk = 0.0021008 k( 431) = ( 0.0000000 0.5000000 0.2403724), wk = 0.0021008 k( 432) = ( 0.0000000 0.5000000 0.2496175), wk = 0.0021008 k( 433) = ( 0.0000000 0.5000000 0.2588626), wk = 0.0021008 k( 434) = ( 0.0000000 0.5000000 0.2681077), wk = 0.0021008 k( 435) = ( 0.0000000 0.5000000 0.2773528), wk = 0.0021008 k( 436) = ( 0.0000000 0.5000000 0.2865978), wk = 0.0021008 k( 437) = ( 0.0000000 0.5000000 0.2958429), wk = 0.0021008 k( 438) = ( 0.0000000 0.5000000 0.3050880), wk = 0.0021008 k( 439) = ( 0.0000000 0.5000000 0.3143331), wk = 0.0021008 k( 440) = ( 0.0000000 0.5000000 0.3235782), wk = 0.0021008 k( 441) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 442) = ( 0.5000000 0.5000000 0.0092451), wk = 0.0021008 k( 443) = ( 0.5000000 0.5000000 0.0184902), wk = 0.0021008 k( 444) = ( 0.5000000 0.5000000 0.0277353), wk = 0.0021008 k( 445) = ( 0.5000000 0.5000000 0.0369804), wk = 0.0021008 k( 446) = ( 0.5000000 0.5000000 0.0462255), wk = 0.0021008 k( 447) = ( 0.5000000 0.5000000 0.0554706), wk = 0.0021008 k( 448) = ( 0.5000000 0.5000000 0.0647156), wk = 0.0021008 k( 449) = ( 0.5000000 0.5000000 0.0739607), wk = 0.0021008 k( 450) = ( 0.5000000 0.5000000 0.0832058), wk = 0.0021008 k( 451) = ( 0.5000000 0.5000000 0.0924509), wk = 0.0021008 k( 452) = ( 0.5000000 0.5000000 0.1016960), wk = 0.0021008 k( 453) = ( 0.5000000 0.5000000 0.1109411), wk = 0.0021008 k( 454) = ( 0.5000000 0.5000000 0.1201862), wk = 0.0021008 k( 455) = ( 0.5000000 0.5000000 0.1294313), wk = 0.0021008 k( 456) = ( 0.5000000 0.5000000 0.1386764), wk = 0.0021008 k( 457) = ( 0.5000000 0.5000000 0.1479215), wk = 0.0021008 k( 458) = ( 0.5000000 0.5000000 0.1571666), wk = 0.0021008 k( 459) = ( 0.5000000 0.5000000 0.1664117), wk = 0.0021008 k( 460) = ( 0.5000000 0.5000000 0.1756567), wk = 0.0021008 k( 461) = ( 0.5000000 0.5000000 0.1849018), wk = 0.0021008 k( 462) = ( 0.5000000 0.5000000 0.1941469), wk = 0.0021008 k( 463) = ( 0.5000000 0.5000000 0.2033920), wk = 0.0021008 k( 464) = ( 0.5000000 0.5000000 0.2126371), wk = 0.0021008 k( 465) = ( 0.5000000 0.5000000 0.2218822), wk = 0.0021008 k( 466) = ( 0.5000000 0.5000000 0.2311273), wk = 0.0021008 k( 467) = ( 0.5000000 0.5000000 0.2403724), wk = 0.0021008 k( 468) = ( 0.5000000 0.5000000 0.2496175), wk = 0.0021008 k( 469) = ( 0.5000000 0.5000000 0.2588626), wk = 0.0021008 k( 470) = ( 0.5000000 0.5000000 0.2681077), wk = 0.0021008 k( 471) = ( 0.5000000 0.5000000 0.2773528), wk = 0.0021008 k( 472) = ( 0.5000000 0.5000000 0.2865978), wk = 0.0021008 k( 473) = ( 0.5000000 0.5000000 0.2958429), wk = 0.0021008 k( 474) = ( 0.5000000 0.5000000 0.3050880), wk = 0.0021008 k( 475) = ( 0.5000000 0.5000000 0.3143331), wk = 0.0021008 k( 476) = ( 0.5000000 0.5000000 0.3235782), wk = 0.0021008 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0000000 0.0094340 0.0000000), wk = 0.0021008 k( 3) = ( 0.0000000 0.0188679 0.0000000), wk = 0.0021008 k( 4) = ( 0.0000000 0.0283019 0.0000000), wk = 0.0021008 k( 5) = ( 0.0000000 0.0377359 0.0000000), wk = 0.0021008 k( 6) = ( 0.0000000 0.0471698 0.0000000), wk = 0.0021008 k( 7) = ( 0.0000000 0.0566038 0.0000000), wk = 0.0021008 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0000000 0.0754717 0.0000000), wk = 0.0021008 k( 10) = ( 0.0000000 0.0849057 0.0000000), wk = 0.0021008 k( 11) = ( 0.0000000 0.0943396 0.0000000), wk = 0.0021008 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0021008 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0021008 k( 14) = ( 0.0000000 0.1226415 0.0000000), wk = 0.0021008 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0021008 k( 16) = ( 0.0000000 0.1415094 0.0000000), wk = 0.0021008 k( 17) = ( 0.0000000 0.1509434 0.0000000), wk = 0.0021008 k( 18) = ( 0.0000000 0.1603774 0.0000000), wk = 0.0021008 k( 19) = ( 0.0000000 0.1698113 0.0000000), wk = 0.0021008 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0021008 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0021008 k( 22) = ( 0.0000000 0.1981132 0.0000000), wk = 0.0021008 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0021008 k( 24) = ( 0.0000000 0.2169811 0.0000000), wk = 0.0021008 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0021008 k( 26) = ( 0.0000000 0.2358491 0.0000000), wk = 0.0021008 k( 27) = ( 0.0000000 0.2452830 0.0000000), wk = 0.0021008 k( 28) = ( 0.0000000 0.2547170 0.0000000), wk = 0.0021008 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0021008 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0021008 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0021008 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0021008 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0021008 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0021008 k( 35) = ( 0.0000000 0.3207547 0.0000000), wk = 0.0021008 k( 36) = ( 0.0000000 0.3301887 0.0000000), wk = 0.0021008 k( 37) = ( 0.0000000 0.3396226 0.0000000), wk = 0.0021008 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0021008 k( 39) = ( 0.0000000 0.3584906 0.0000000), wk = 0.0021008 k( 40) = ( 0.0000000 0.3679245 0.0000000), wk = 0.0021008 k( 41) = ( 0.0000000 0.3773585 0.0000000), wk = 0.0021008 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0021008 k( 43) = ( 0.0000000 0.3962264 0.0000000), wk = 0.0021008 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0021008 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0021008 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0021008 k( 47) = ( 0.0000000 0.4339623 0.0000000), wk = 0.0021008 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0021008 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0021008 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0021008 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0021008 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0021008 k( 53) = ( 0.0000000 0.4905660 0.0000000), wk = 0.0021008 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0021008 k( 57) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0021008 k( 58) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0021008 k( 59) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0021008 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0021008 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0021008 k( 62) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0021008 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0021008 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0021008 k( 65) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0021008 k( 66) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0021008 k( 67) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0021008 k( 68) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0021008 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0021008 k( 70) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0021008 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0021008 k( 72) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0021008 k( 73) = ( 0.1698113 0.5000000 0.0000000), wk = 0.0021008 k( 74) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0021008 k( 75) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0021008 k( 76) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0021008 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0021008 k( 79) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0021008 k( 80) = ( 0.2358491 0.5000000 0.0000000), wk = 0.0021008 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0021008 k( 82) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0021008 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0021008 k( 84) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0021008 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0021008 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0021008 k( 87) = ( 0.3018868 0.5000000 0.0000000), wk = 0.0021008 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0021008 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0021008 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0021008 k( 91) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0021008 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0021008 k( 93) = ( 0.3584906 0.5000000 0.0000000), wk = 0.0021008 k( 94) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0021008 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0021008 k( 96) = ( 0.3867925 0.5000000 0.0000000), wk = 0.0021008 k( 97) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0021008 k( 98) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0021008 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0021008 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0021008 k( 101) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0021008 k( 102) = ( 0.4433962 0.5000000 0.0000000), wk = 0.0021008 k( 103) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0021008 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0021008 k( 105) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0021008 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0021008 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0021008 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021008 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021008 k( 110) = ( 0.4933333 0.4933333 0.0000000), wk = 0.0021008 k( 111) = ( 0.4866667 0.4866667 0.0000000), wk = 0.0021008 k( 112) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0021008 k( 113) = ( 0.4733333 0.4733333 0.0000000), wk = 0.0021008 k( 114) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0021008 k( 115) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0021008 k( 116) = ( 0.4533333 0.4533333 0.0000000), wk = 0.0021008 k( 117) = ( 0.4466667 0.4466667 0.0000000), wk = 0.0021008 k( 118) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0021008 k( 119) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0021008 k( 120) = ( 0.4266667 0.4266667 -0.0000000), wk = 0.0021008 k( 121) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0021008 k( 122) = ( 0.4133333 0.4133333 0.0000000), wk = 0.0021008 k( 123) = ( 0.4066667 0.4066667 0.0000000), wk = 0.0021008 k( 124) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0021008 k( 125) = ( 0.3933333 0.3933333 0.0000000), wk = 0.0021008 k( 126) = ( 0.3866667 0.3866667 0.0000000), wk = 0.0021008 k( 127) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0021008 k( 128) = ( 0.3733333 0.3733333 0.0000000), wk = 0.0021008 k( 129) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0021008 k( 130) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0021008 k( 131) = ( 0.3533333 0.3533333 0.0000000), wk = 0.0021008 k( 132) = ( 0.3466667 0.3466667 -0.0000000), wk = 0.0021008 k( 133) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0021008 k( 134) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021008 k( 135) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0021008 k( 136) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0021008 k( 137) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0021008 k( 138) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0021008 k( 139) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021008 k( 140) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0021008 k( 141) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0021008 k( 142) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0021008 k( 143) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0021008 k( 144) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0021008 k( 145) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0021008 k( 146) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0021008 k( 147) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0021008 k( 148) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0021008 k( 149) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0021008 k( 150) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0021008 k( 151) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0021008 k( 152) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0021008 k( 153) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0021008 k( 154) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0021008 k( 155) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0021008 k( 156) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0021008 k( 157) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0021008 k( 158) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0021008 k( 159) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0021008 k( 160) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0021008 k( 161) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0021008 k( 162) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0021008 k( 163) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0021008 k( 164) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0021008 k( 165) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0021008 k( 166) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0021008 k( 167) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0021008 k( 168) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0021008 k( 169) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0021008 k( 170) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0021008 k( 171) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0021008 k( 172) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0021008 k( 173) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0021008 k( 174) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0021008 k( 175) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0021008 k( 176) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0021008 k( 177) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0021008 k( 178) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0021008 k( 179) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0021008 k( 180) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0021008 k( 181) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0021008 k( 182) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0021008 k( 183) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0021008 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 186) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0021008 k( 187) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0021008 k( 188) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0021008 k( 189) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0021008 k( 190) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0021008 k( 191) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0021008 k( 192) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021008 k( 193) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0021008 k( 194) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0021008 k( 195) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0021008 k( 196) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0021008 k( 197) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0021008 k( 198) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0021008 k( 199) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021008 k( 200) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0021008 k( 201) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0021008 k( 202) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0021008 k( 203) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0021008 k( 204) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0021008 k( 205) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0021008 k( 206) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021008 k( 207) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0021008 k( 208) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0021008 k( 209) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0021008 k( 210) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0021008 k( 211) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0021008 k( 212) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0021008 k( 213) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021008 k( 214) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0021008 k( 215) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0021008 k( 216) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0021008 k( 217) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0021008 k( 218) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0021008 k( 219) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0021008 k( 220) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 222) = ( 0.0000000 0.0094340 0.5000000), wk = 0.0021008 k( 223) = ( 0.0000000 0.0188679 0.5000000), wk = 0.0021008 k( 224) = ( 0.0000000 0.0283019 0.5000000), wk = 0.0021008 k( 225) = ( 0.0000000 0.0377359 0.5000000), wk = 0.0021008 k( 226) = ( 0.0000000 0.0471698 0.5000000), wk = 0.0021008 k( 227) = ( 0.0000000 0.0566038 0.5000000), wk = 0.0021008 k( 228) = ( 0.0000000 0.0660377 0.5000000), wk = 0.0021008 k( 229) = ( 0.0000000 0.0754717 0.5000000), wk = 0.0021008 k( 230) = ( 0.0000000 0.0849057 0.5000000), wk = 0.0021008 k( 231) = ( 0.0000000 0.0943396 0.5000000), wk = 0.0021008 k( 232) = ( 0.0000000 0.1037736 0.5000000), wk = 0.0021008 k( 233) = ( 0.0000000 0.1132076 0.5000000), wk = 0.0021008 k( 234) = ( 0.0000000 0.1226415 0.5000000), wk = 0.0021008 k( 235) = ( 0.0000000 0.1320755 0.5000000), wk = 0.0021008 k( 236) = ( 0.0000000 0.1415094 0.5000000), wk = 0.0021008 k( 237) = ( 0.0000000 0.1509434 0.5000000), wk = 0.0021008 k( 238) = ( 0.0000000 0.1603774 0.5000000), wk = 0.0021008 k( 239) = ( 0.0000000 0.1698113 0.5000000), wk = 0.0021008 k( 240) = ( 0.0000000 0.1792453 0.5000000), wk = 0.0021008 k( 241) = ( 0.0000000 0.1886792 0.5000000), wk = 0.0021008 k( 242) = ( 0.0000000 0.1981132 0.5000000), wk = 0.0021008 k( 243) = ( 0.0000000 0.2075472 0.5000000), wk = 0.0021008 k( 244) = ( 0.0000000 0.2169811 0.5000000), wk = 0.0021008 k( 245) = ( 0.0000000 0.2264151 0.5000000), wk = 0.0021008 k( 246) = ( 0.0000000 0.2358491 0.5000000), wk = 0.0021008 k( 247) = ( 0.0000000 0.2452830 0.5000000), wk = 0.0021008 k( 248) = ( 0.0000000 0.2547170 0.5000000), wk = 0.0021008 k( 249) = ( 0.0000000 0.2641509 0.5000000), wk = 0.0021008 k( 250) = ( 0.0000000 0.2735849 0.5000000), wk = 0.0021008 k( 251) = ( 0.0000000 0.2830189 0.5000000), wk = 0.0021008 k( 252) = ( 0.0000000 0.2924528 0.5000000), wk = 0.0021008 k( 253) = ( 0.0000000 0.3018868 0.5000000), wk = 0.0021008 k( 254) = ( 0.0000000 0.3113207 0.5000000), wk = 0.0021008 k( 255) = ( 0.0000000 0.3207547 0.5000000), wk = 0.0021008 k( 256) = ( 0.0000000 0.3301887 0.5000000), wk = 0.0021008 k( 257) = ( 0.0000000 0.3396226 0.5000000), wk = 0.0021008 k( 258) = ( 0.0000000 0.3490566 0.5000000), wk = 0.0021008 k( 259) = ( 0.0000000 0.3584906 0.5000000), wk = 0.0021008 k( 260) = ( 0.0000000 0.3679245 0.5000000), wk = 0.0021008 k( 261) = ( 0.0000000 0.3773585 0.5000000), wk = 0.0021008 k( 262) = ( 0.0000000 0.3867925 0.5000000), wk = 0.0021008 k( 263) = ( 0.0000000 0.3962264 0.5000000), wk = 0.0021008 k( 264) = ( 0.0000000 0.4056604 0.5000000), wk = 0.0021008 k( 265) = ( 0.0000000 0.4150943 0.5000000), wk = 0.0021008 k( 266) = ( 0.0000000 0.4245283 0.5000000), wk = 0.0021008 k( 267) = ( 0.0000000 0.4339623 0.5000000), wk = 0.0021008 k( 268) = ( 0.0000000 0.4433962 0.5000000), wk = 0.0021008 k( 269) = ( 0.0000000 0.4528302 0.5000000), wk = 0.0021008 k( 270) = ( 0.0000000 0.4622641 0.5000000), wk = 0.0021008 k( 271) = ( 0.0000000 0.4716981 0.5000000), wk = 0.0021008 k( 272) = ( 0.0000000 0.4811321 0.5000000), wk = 0.0021008 k( 273) = ( 0.0000000 0.4905660 0.5000000), wk = 0.0021008 k( 274) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 275) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 276) = ( 0.0094340 0.5000000 0.5000000), wk = 0.0021008 k( 277) = ( 0.0188679 0.5000000 0.5000000), wk = 0.0021008 k( 278) = ( 0.0283019 0.5000000 0.5000000), wk = 0.0021008 k( 279) = ( 0.0377359 0.5000000 0.5000000), wk = 0.0021008 k( 280) = ( 0.0471698 0.5000000 0.5000000), wk = 0.0021008 k( 281) = ( 0.0566038 0.5000000 0.5000000), wk = 0.0021008 k( 282) = ( 0.0660377 0.5000000 0.5000000), wk = 0.0021008 k( 283) = ( 0.0754717 0.5000000 0.5000000), wk = 0.0021008 k( 284) = ( 0.0849057 0.5000000 0.5000000), wk = 0.0021008 k( 285) = ( 0.0943396 0.5000000 0.5000000), wk = 0.0021008 k( 286) = ( 0.1037736 0.5000000 0.5000000), wk = 0.0021008 k( 287) = ( 0.1132076 0.5000000 0.5000000), wk = 0.0021008 k( 288) = ( 0.1226415 0.5000000 0.5000000), wk = 0.0021008 k( 289) = ( 0.1320755 0.5000000 0.5000000), wk = 0.0021008 k( 290) = ( 0.1415094 0.5000000 0.5000000), wk = 0.0021008 k( 291) = ( 0.1509434 0.5000000 0.5000000), wk = 0.0021008 k( 292) = ( 0.1603774 0.5000000 0.5000000), wk = 0.0021008 k( 293) = ( 0.1698113 0.5000000 0.5000000), wk = 0.0021008 k( 294) = ( 0.1792453 0.5000000 0.5000000), wk = 0.0021008 k( 295) = ( 0.1886792 0.5000000 0.5000000), wk = 0.0021008 k( 296) = ( 0.1981132 0.5000000 0.5000000), wk = 0.0021008 k( 297) = ( 0.2075472 0.5000000 0.5000000), wk = 0.0021008 k( 298) = ( 0.2169811 0.5000000 0.5000000), wk = 0.0021008 k( 299) = ( 0.2264151 0.5000000 0.5000000), wk = 0.0021008 k( 300) = ( 0.2358491 0.5000000 0.5000000), wk = 0.0021008 k( 301) = ( 0.2452830 0.5000000 0.5000000), wk = 0.0021008 k( 302) = ( 0.2547170 0.5000000 0.5000000), wk = 0.0021008 k( 303) = ( 0.2641509 0.5000000 0.5000000), wk = 0.0021008 k( 304) = ( 0.2735849 0.5000000 0.5000000), wk = 0.0021008 k( 305) = ( 0.2830189 0.5000000 0.5000000), wk = 0.0021008 k( 306) = ( 0.2924528 0.5000000 0.5000000), wk = 0.0021008 k( 307) = ( 0.3018868 0.5000000 0.5000000), wk = 0.0021008 k( 308) = ( 0.3113207 0.5000000 0.5000000), wk = 0.0021008 k( 309) = ( 0.3207547 0.5000000 0.5000000), wk = 0.0021008 k( 310) = ( 0.3301887 0.5000000 0.5000000), wk = 0.0021008 k( 311) = ( 0.3396226 0.5000000 0.5000000), wk = 0.0021008 k( 312) = ( 0.3490566 0.5000000 0.5000000), wk = 0.0021008 k( 313) = ( 0.3584906 0.5000000 0.5000000), wk = 0.0021008 k( 314) = ( 0.3679245 0.5000000 0.5000000), wk = 0.0021008 k( 315) = ( 0.3773585 0.5000000 0.5000000), wk = 0.0021008 k( 316) = ( 0.3867925 0.5000000 0.5000000), wk = 0.0021008 k( 317) = ( 0.3962264 0.5000000 0.5000000), wk = 0.0021008 k( 318) = ( 0.4056604 0.5000000 0.5000000), wk = 0.0021008 k( 319) = ( 0.4150943 0.5000000 0.5000000), wk = 0.0021008 k( 320) = ( 0.4245283 0.5000000 0.5000000), wk = 0.0021008 k( 321) = ( 0.4339623 0.5000000 0.5000000), wk = 0.0021008 k( 322) = ( 0.4433962 0.5000000 0.5000000), wk = 0.0021008 k( 323) = ( 0.4528302 0.5000000 0.5000000), wk = 0.0021008 k( 324) = ( 0.4622641 0.5000000 0.5000000), wk = 0.0021008 k( 325) = ( 0.4716981 0.5000000 0.5000000), wk = 0.0021008 k( 326) = ( 0.4811321 0.5000000 0.5000000), wk = 0.0021008 k( 327) = ( 0.4905660 0.5000000 0.5000000), wk = 0.0021008 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 329) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 330) = ( 0.4933333 0.4933333 0.5000000), wk = 0.0021008 k( 331) = ( 0.4866667 0.4866667 0.5000000), wk = 0.0021008 k( 332) = ( 0.4800000 0.4800000 0.5000000), wk = 0.0021008 k( 333) = ( 0.4733333 0.4733333 0.5000000), wk = 0.0021008 k( 334) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0021008 k( 335) = ( 0.4600000 0.4600000 0.5000000), wk = 0.0021008 k( 336) = ( 0.4533333 0.4533333 0.5000000), wk = 0.0021008 k( 337) = ( 0.4466667 0.4466667 0.5000000), wk = 0.0021008 k( 338) = ( 0.4400000 0.4400000 0.5000000), wk = 0.0021008 k( 339) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0021008 k( 340) = ( 0.4266667 0.4266667 0.5000000), wk = 0.0021008 k( 341) = ( 0.4200000 0.4200000 0.5000000), wk = 0.0021008 k( 342) = ( 0.4133333 0.4133333 0.5000000), wk = 0.0021008 k( 343) = ( 0.4066667 0.4066667 0.5000000), wk = 0.0021008 k( 344) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0021008 k( 345) = ( 0.3933333 0.3933333 0.5000000), wk = 0.0021008 k( 346) = ( 0.3866667 0.3866667 0.5000000), wk = 0.0021008 k( 347) = ( 0.3800000 0.3800000 0.5000000), wk = 0.0021008 k( 348) = ( 0.3733333 0.3733333 0.5000000), wk = 0.0021008 k( 349) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0021008 k( 350) = ( 0.3600000 0.3600000 0.5000000), wk = 0.0021008 k( 351) = ( 0.3533333 0.3533333 0.5000000), wk = 0.0021008 k( 352) = ( 0.3466667 0.3466667 0.5000000), wk = 0.0021008 k( 353) = ( 0.3400000 0.3400000 0.5000000), wk = 0.0021008 k( 354) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021008 k( 355) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0021008 k( 356) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0021008 k( 357) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0021008 k( 358) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0021008 k( 359) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0021008 k( 360) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0021008 k( 361) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0021008 k( 362) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0021008 k( 363) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0021008 k( 364) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0021008 k( 365) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0021008 k( 366) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0021008 k( 367) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0021008 k( 368) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0021008 k( 369) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0021008 k( 370) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0021008 k( 371) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0021008 k( 372) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0021008 k( 373) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0021008 k( 374) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0021008 k( 375) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0021008 k( 376) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0021008 k( 377) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0021008 k( 378) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0021008 k( 379) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0021008 k( 380) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0021008 k( 381) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0021008 k( 382) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0021008 k( 383) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0021008 k( 384) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0021008 k( 385) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0021008 k( 386) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0021008 k( 387) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0021008 k( 388) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0021008 k( 389) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0021008 k( 390) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0021008 k( 391) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0021008 k( 392) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0021008 k( 393) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0021008 k( 394) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0021008 k( 395) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0021008 k( 396) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0021008 k( 397) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0021008 k( 398) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0021008 k( 399) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0021008 k( 400) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0021008 k( 401) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0021008 k( 402) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0021008 k( 403) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0021008 k( 404) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 405) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 406) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0021008 k( 407) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0021008 k( 408) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0021008 k( 409) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0021008 k( 410) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0021008 k( 411) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0021008 k( 412) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021008 k( 413) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0021008 k( 414) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0021008 k( 415) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0021008 k( 416) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0021008 k( 417) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0021008 k( 418) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0021008 k( 419) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0021008 k( 421) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0021008 k( 422) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0021008 k( 423) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0021008 k( 424) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0021008 k( 425) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0021008 k( 426) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021008 k( 427) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0021008 k( 428) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0021008 k( 429) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0021008 k( 430) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0021008 k( 431) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0021008 k( 432) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0021008 k( 433) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021008 k( 434) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0021008 k( 435) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0021008 k( 436) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0021008 k( 437) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0021008 k( 438) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0021008 k( 439) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0021008 k( 440) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 441) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021008 k( 442) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0021008 k( 443) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0021008 k( 444) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0021008 k( 445) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0021008 k( 446) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0021008 k( 447) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0021008 k( 448) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0021008 k( 449) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0021008 k( 450) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0021008 k( 451) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0021008 k( 452) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0021008 k( 453) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0021008 k( 454) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0021008 k( 455) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0021008 k( 456) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0021008 k( 457) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0021008 k( 458) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0021008 k( 459) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0021008 k( 460) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0021008 k( 461) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0021008 k( 462) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0021008 k( 463) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0021008 k( 464) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0021008 k( 465) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0021008 k( 466) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0021008 k( 467) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0021008 k( 468) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0021008 k( 469) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0021008 k( 470) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0021008 k( 471) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0021008 k( 472) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0021008 k( 473) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0021008 k( 474) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0021008 k( 475) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0021008 k( 476) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021008 Dense grid: 26597 G-vectors FFT dimensions: ( 36, 36, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 194, 34) NL pseudopotentials 0.11 Mb ( 97, 72) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 738) G-vector shells 0.00 Mb ( 333) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 194, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.07 Mb ( 72, 2, 34) The potential is recalculated from file : ./TiH.save/charge-density.dat Starting wfc are 4 randomized atomic wfcs + 30 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.9 secs Computing kpt #: 2 total cpu time spent up to now is 1.3 secs Computing kpt #: 3 total cpu time spent up to now is 1.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 6.2 secs Computing kpt #: 17 total cpu time spent up to now is 6.6 secs Computing kpt #: 18 total cpu time spent up to now is 6.9 secs Computing kpt #: 19 total cpu time spent up to now is 7.3 secs Computing kpt #: 20 total cpu time spent up to now is 7.7 secs Computing kpt #: 21 total cpu time spent up to now is 8.0 secs Computing kpt #: 22 total cpu time spent up to now is 8.4 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.2 secs Computing kpt #: 25 total cpu time spent up to now is 9.5 secs Computing kpt #: 26 total cpu time spent up to now is 9.9 secs Computing kpt #: 27 total cpu time spent up to now is 10.3 secs Computing kpt #: 28 total cpu time spent up to now is 10.7 secs Computing kpt #: 29 total cpu time spent up to now is 11.1 secs Computing kpt #: 30 total cpu time spent up to now is 11.5 secs Computing kpt #: 31 total cpu time spent up to now is 11.9 secs Computing kpt #: 32 total cpu time spent up to now is 12.3 secs Computing kpt #: 33 total cpu time spent up to now is 12.6 secs Computing kpt #: 34 total cpu time spent up to now is 13.0 secs Computing kpt #: 35 total cpu time spent up to now is 13.4 secs Computing kpt #: 36 total cpu time spent up to now is 13.7 secs Computing kpt #: 37 total cpu time spent up to now is 14.1 secs Computing kpt #: 38 total cpu time spent up to now is 14.5 secs Computing kpt #: 39 total cpu time spent up to now is 14.8 secs Computing kpt #: 40 total cpu time spent up to now is 15.2 secs Computing kpt #: 41 total cpu time spent up to now is 15.5 secs Computing kpt #: 42 total cpu time spent up to now is 15.9 secs Computing kpt #: 43 total cpu time spent up to now is 16.2 secs Computing kpt #: 44 total cpu time spent up to now is 16.6 secs Computing kpt #: 45 total cpu time spent up to now is 16.9 secs Computing kpt #: 46 total cpu time spent up to now is 17.3 secs Computing kpt #: 47 total cpu time spent up to now is 17.7 secs Computing kpt #: 48 total cpu time spent up to now is 18.0 secs Computing kpt #: 49 total cpu time spent up to now is 18.4 secs Computing kpt #: 50 total cpu time spent up to now is 18.8 secs Computing kpt #: 51 total cpu time spent up to now is 19.1 secs Computing kpt #: 52 total cpu time spent up to now is 19.5 secs Computing kpt #: 53 total cpu time spent up to now is 19.9 secs Computing kpt #: 54 total cpu time spent up to now is 20.2 secs Computing kpt #: 55 total cpu time spent up to now is 20.6 secs Computing kpt #: 56 total cpu time spent up to now is 21.0 secs Computing kpt #: 57 total cpu time spent up to now is 21.4 secs Computing kpt #: 58 total cpu time spent up to now is 21.7 secs Computing kpt #: 59 total cpu time spent up to now is 22.1 secs Computing kpt #: 60 total cpu time spent up to now is 22.5 secs Computing kpt #: 61 total cpu time spent up to now is 22.9 secs Computing kpt #: 62 total cpu time spent up to now is 23.2 secs Computing kpt #: 63 total cpu time spent up to now is 23.6 secs Computing kpt #: 64 total cpu time spent up to now is 24.0 secs Computing kpt #: 65 total cpu time spent up to now is 24.3 secs Computing kpt #: 66 total cpu time spent up to now is 24.7 secs Computing kpt #: 67 total cpu time spent up to now is 25.1 secs Computing kpt #: 68 total cpu time spent up to now is 25.5 secs Computing kpt #: 69 total cpu time spent up to now is 25.9 secs Computing kpt #: 70 total cpu time spent up to now is 26.3 secs Computing kpt #: 71 total cpu time spent up to now is 26.6 secs Computing kpt #: 72 total cpu time spent up to now is 27.0 secs Computing kpt #: 73 total cpu time spent up to now is 27.4 secs Computing kpt #: 74 total cpu time spent up to now is 27.8 secs Computing kpt #: 75 total cpu time spent up to now is 28.1 secs Computing kpt #: 76 total cpu time spent up to now is 28.5 secs Computing kpt #: 77 total cpu time spent up to now is 28.9 secs Computing kpt #: 78 total cpu time spent up to now is 29.3 secs Computing kpt #: 79 total cpu time spent up to now is 29.7 secs Computing kpt #: 80 total cpu time spent up to now is 30.1 secs Computing kpt #: 81 total cpu time spent up to now is 30.4 secs Computing kpt #: 82 total cpu time spent up to now is 30.8 secs Computing kpt #: 83 total cpu time spent up to now is 31.2 secs Computing kpt #: 84 total cpu time spent up to now is 31.6 secs Computing kpt #: 85 total cpu time spent up to now is 32.0 secs Computing kpt #: 86 total cpu time spent up to now is 32.3 secs Computing kpt #: 87 total cpu time spent up to now is 32.7 secs Computing kpt #: 88 total cpu time spent up to now is 33.3 secs Computing kpt #: 89 total cpu time spent up to now is 33.8 secs Computing kpt #: 90 total cpu time spent up to now is 34.3 secs Computing kpt #: 91 total cpu time spent up to now is 34.7 secs Computing kpt #: 92 total cpu time spent up to now is 35.1 secs Computing kpt #: 93 total cpu time spent up to now is 35.5 secs Computing kpt #: 94 total cpu time spent up to now is 35.8 secs Computing kpt #: 95 total cpu time spent up to now is 36.2 secs Computing kpt #: 96 total cpu time spent up to now is 36.6 secs Computing kpt #: 97 total cpu time spent up to now is 37.0 secs Computing kpt #: 98 total cpu time spent up to now is 37.4 secs Computing kpt #: 99 total cpu time spent up to now is 37.8 secs Computing kpt #: 100 total cpu time spent up to now is 38.2 secs Computing kpt #: 101 total cpu time spent up to now is 38.6 secs Computing kpt #: 102 total cpu time spent up to now is 39.0 secs Computing kpt #: 103 total cpu time spent up to now is 39.3 secs Computing kpt #: 104 total cpu time spent up to now is 39.8 secs Computing kpt #: 105 total cpu time spent up to now is 40.2 secs Computing kpt #: 106 total cpu time spent up to now is 40.5 secs Computing kpt #: 107 total cpu time spent up to now is 40.9 secs Computing kpt #: 108 total cpu time spent up to now is 41.3 secs Computing kpt #: 109 total cpu time spent up to now is 41.7 secs Computing kpt #: 110 total cpu time spent up to now is 42.1 secs Computing kpt #: 111 total cpu time spent up to now is 42.5 secs Computing kpt #: 112 total cpu time spent up to now is 42.8 secs Computing kpt #: 113 total cpu time spent up to now is 43.2 secs Computing kpt #: 114 total cpu time spent up to now is 43.6 secs Computing kpt #: 115 total cpu time spent up to now is 44.0 secs Computing kpt #: 116 total cpu time spent up to now is 44.4 secs Computing kpt #: 117 total cpu time spent up to now is 44.8 secs Computing kpt #: 118 total cpu time spent up to now is 45.1 secs Computing kpt #: 119 total cpu time spent up to now is 45.5 secs Computing kpt #: 120 total cpu time spent up to now is 45.9 secs Computing kpt #: 121 total cpu time spent up to now is 46.3 secs Computing kpt #: 122 total cpu time spent up to now is 46.7 secs Computing kpt #: 123 total cpu time spent up to now is 47.1 secs Computing kpt #: 124 total cpu time spent up to now is 47.5 secs Computing kpt #: 125 total cpu time spent up to now is 47.9 secs Computing kpt #: 126 total cpu time spent up to now is 48.3 secs Computing kpt #: 127 total cpu time spent up to now is 48.7 secs Computing kpt #: 128 total cpu time spent up to now is 49.1 secs Computing kpt #: 129 total cpu time spent up to now is 49.5 secs Computing kpt #: 130 total cpu time spent up to now is 49.9 secs Computing kpt #: 131 total cpu time spent up to now is 50.2 secs Computing kpt #: 132 total cpu time spent up to now is 50.6 secs Computing kpt #: 133 total cpu time spent up to now is 51.0 secs Computing kpt #: 134 total cpu time spent up to now is 51.4 secs Computing kpt #: 135 total cpu time spent up to now is 51.8 secs Computing kpt #: 136 total cpu time spent up to now is 52.1 secs Computing kpt #: 137 total cpu time spent up to now is 52.5 secs Computing kpt #: 138 total cpu time spent up to now is 52.9 secs Computing kpt #: 139 total cpu time spent up to now is 53.3 secs Computing kpt #: 140 total cpu time spent up to now is 53.7 secs Computing kpt #: 141 total cpu time spent up to now is 54.0 secs Computing kpt #: 142 total cpu time spent up to now is 54.4 secs Computing kpt #: 143 total cpu time spent up to now is 54.8 secs Computing kpt #: 144 total cpu time spent up to now is 55.1 secs Computing kpt #: 145 total cpu time spent up to now is 55.5 secs Computing kpt #: 146 total cpu time spent up to now is 55.9 secs Computing kpt #: 147 total cpu time spent up to now is 56.2 secs Computing kpt #: 148 total cpu time spent up to now is 56.6 secs Computing kpt #: 149 total cpu time spent up to now is 57.0 secs Computing kpt #: 150 total cpu time spent up to now is 57.3 secs Computing kpt #: 151 total cpu time spent up to now is 57.7 secs Computing kpt #: 152 total cpu time spent up to now is 58.1 secs Computing kpt #: 153 total cpu time spent up to now is 58.5 secs Computing kpt #: 154 total cpu time spent up to now is 58.9 secs Computing kpt #: 155 total cpu time spent up to now is 59.3 secs Computing kpt #: 156 total cpu time spent up to now is 59.7 secs Computing kpt #: 157 total cpu time spent up to now is 60.1 secs Computing kpt #: 158 total cpu time spent up to now is 60.5 secs Computing kpt #: 159 total cpu time spent up to now is 60.9 secs Computing kpt #: 160 total cpu time spent up to now is 61.3 secs Computing kpt #: 161 total cpu time spent up to now is 61.7 secs Computing kpt #: 162 total cpu time spent up to now is 62.1 secs Computing kpt #: 163 total cpu time spent up to now is 62.5 secs Computing kpt #: 164 total cpu time spent up to now is 62.9 secs Computing kpt #: 165 total cpu time spent up to now is 63.2 secs Computing kpt #: 166 total cpu time spent up to now is 63.6 secs Computing kpt #: 167 total cpu time spent up to now is 64.0 secs Computing kpt #: 168 total cpu time spent up to now is 64.3 secs Computing kpt #: 169 total cpu time spent up to now is 64.7 secs Computing kpt #: 170 total cpu time spent up to now is 65.4 secs Computing kpt #: 171 total cpu time spent up to now is 65.7 secs Computing kpt #: 172 total cpu time spent up to now is 66.1 secs Computing kpt #: 173 total cpu time spent up to now is 66.5 secs Computing kpt #: 174 total cpu time spent up to now is 66.8 secs Computing kpt #: 175 total cpu time spent up to now is 67.2 secs Computing kpt #: 176 total cpu time spent up to now is 67.6 secs Computing kpt #: 177 total cpu time spent up to now is 67.9 secs Computing kpt #: 178 total cpu time spent up to now is 68.3 secs Computing kpt #: 179 total cpu time spent up to now is 68.6 secs Computing kpt #: 180 total cpu time spent up to now is 69.0 secs Computing kpt #: 181 total cpu time spent up to now is 69.3 secs Computing kpt #: 182 total cpu time spent up to now is 69.7 secs Computing kpt #: 183 total cpu time spent up to now is 70.0 secs Computing kpt #: 184 total cpu time spent up to now is 70.4 secs Computing kpt #: 185 total cpu time spent up to now is 70.7 secs Computing kpt #: 186 total cpu time spent up to now is 71.0 secs Computing kpt #: 187 total cpu time spent up to now is 71.4 secs Computing kpt #: 188 total cpu time spent up to now is 71.7 secs Computing kpt #: 189 total cpu time spent up to now is 72.1 secs Computing kpt #: 190 total cpu time spent up to now is 72.4 secs Computing kpt #: 191 total cpu time spent up to now is 72.8 secs Computing kpt #: 192 total cpu time spent up to now is 73.1 secs Computing kpt #: 193 total cpu time spent up to now is 73.5 secs Computing kpt #: 194 total cpu time spent up to now is 73.9 secs Computing kpt #: 195 total cpu time spent up to now is 74.2 secs Computing kpt #: 196 total cpu time spent up to now is 74.6 secs Computing kpt #: 197 total cpu time spent up to now is 74.9 secs Computing kpt #: 198 total cpu time spent up to now is 75.3 secs Computing kpt #: 199 total cpu time spent up to now is 75.7 secs Computing kpt #: 200 total cpu time spent up to now is 76.1 secs Computing kpt #: 201 total cpu time spent up to now is 76.5 secs Computing kpt #: 202 total cpu time spent up to now is 76.8 secs Computing kpt #: 203 total cpu time spent up to now is 77.3 secs Computing kpt #: 204 total cpu time spent up to now is 77.9 secs Computing kpt #: 205 total cpu time spent up to now is 78.4 secs Computing kpt #: 206 total cpu time spent up to now is 78.8 secs Computing kpt #: 207 total cpu time spent up to now is 79.2 secs Computing kpt #: 208 total cpu time spent up to now is 79.7 secs Computing kpt #: 209 total cpu time spent up to now is 80.1 secs Computing kpt #: 210 total cpu time spent up to now is 80.5 secs Computing kpt #: 211 total cpu time spent up to now is 80.9 secs Computing kpt #: 212 total cpu time spent up to now is 81.4 secs Computing kpt #: 213 total cpu time spent up to now is 81.7 secs Computing kpt #: 214 total cpu time spent up to now is 82.1 secs Computing kpt #: 215 total cpu time spent up to now is 82.5 secs Computing kpt #: 216 total cpu time spent up to now is 82.9 secs Computing kpt #: 217 total cpu time spent up to now is 83.3 secs Computing kpt #: 218 total cpu time spent up to now is 83.7 secs Computing kpt #: 219 total cpu time spent up to now is 84.1 secs Computing kpt #: 220 total cpu time spent up to now is 84.5 secs Computing kpt #: 221 total cpu time spent up to now is 84.8 secs Computing kpt #: 222 total cpu time spent up to now is 85.2 secs Computing kpt #: 223 total cpu time spent up to now is 85.6 secs Computing kpt #: 224 total cpu time spent up to now is 86.0 secs Computing kpt #: 225 total cpu time spent up to now is 86.4 secs Computing kpt #: 226 total cpu time spent up to now is 86.8 secs Computing kpt #: 227 total cpu time spent up to now is 87.2 secs Computing kpt #: 228 total cpu time spent up to now is 87.6 secs Computing kpt #: 229 total cpu time spent up to now is 88.0 secs Computing kpt #: 230 total cpu time spent up to now is 88.4 secs Computing kpt #: 231 total cpu time spent up to now is 88.7 secs Computing kpt #: 232 total cpu time spent up to now is 89.1 secs Computing kpt #: 233 total cpu time spent up to now is 89.5 secs Computing kpt #: 234 total cpu time spent up to now is 89.9 secs Computing kpt #: 235 total cpu time spent up to now is 90.2 secs Computing kpt #: 236 total cpu time spent up to now is 90.6 secs Computing kpt #: 237 total cpu time spent up to now is 91.0 secs Computing kpt #: 238 total cpu time spent up to now is 91.4 secs Computing kpt #: 239 total cpu time spent up to now is 91.7 secs Computing kpt #: 240 total cpu time spent up to now is 92.1 secs Computing kpt #: 241 total cpu time spent up to now is 92.5 secs Computing kpt #: 242 total cpu time spent up to now is 92.9 secs Computing kpt #: 243 total cpu time spent up to now is 93.3 secs Computing kpt #: 244 total cpu time spent up to now is 93.8 secs Computing kpt #: 245 total cpu time spent up to now is 94.1 secs Computing kpt #: 246 total cpu time spent up to now is 94.6 secs Computing kpt #: 247 total cpu time spent up to now is 95.1 secs Computing kpt #: 248 total cpu time spent up to now is 95.5 secs Computing kpt #: 249 total cpu time spent up to now is 95.9 secs Computing kpt #: 250 total cpu time spent up to now is 96.3 secs Computing kpt #: 251 total cpu time spent up to now is 96.7 secs Computing kpt #: 252 total cpu time spent up to now is 97.0 secs Computing kpt #: 253 total cpu time spent up to now is 97.4 secs Computing kpt #: 254 total cpu time spent up to now is 97.8 secs Computing kpt #: 255 total cpu time spent up to now is 98.2 secs Computing kpt #: 256 total cpu time spent up to now is 98.6 secs Computing kpt #: 257 total cpu time spent up to now is 99.0 secs Computing kpt #: 258 total cpu time spent up to now is 99.5 secs Computing kpt #: 259 total cpu time spent up to now is 100.0 secs Computing kpt #: 260 total cpu time spent up to now is 101.3 secs Computing kpt #: 261 total cpu time spent up to now is 101.7 secs Computing kpt #: 262 total cpu time spent up to now is 102.2 secs Computing kpt #: 263 total cpu time spent up to now is 102.6 secs Computing kpt #: 264 total cpu time spent up to now is 103.0 secs Computing kpt #: 265 total cpu time spent up to now is 103.3 secs Computing kpt #: 266 total cpu time spent up to now is 103.7 secs Computing kpt #: 267 total cpu time spent up to now is 104.1 secs Computing kpt #: 268 total cpu time spent up to now is 104.5 secs Computing kpt #: 269 total cpu time spent up to now is 105.0 secs Computing kpt #: 270 total cpu time spent up to now is 105.4 secs Computing kpt #: 271 total cpu time spent up to now is 105.8 secs Computing kpt #: 272 total cpu time spent up to now is 106.2 secs Computing kpt #: 273 total cpu time spent up to now is 106.5 secs Computing kpt #: 274 total cpu time spent up to now is 106.9 secs Computing kpt #: 275 total cpu time spent up to now is 107.3 secs Computing kpt #: 276 total cpu time spent up to now is 107.7 secs Computing kpt #: 277 total cpu time spent up to now is 108.1 secs Computing kpt #: 278 total cpu time spent up to now is 108.4 secs Computing kpt #: 279 total cpu time spent up to now is 108.8 secs Computing kpt #: 280 total cpu time spent up to now is 109.1 secs Computing kpt #: 281 total cpu time spent up to now is 109.5 secs Computing kpt #: 282 total cpu time spent up to now is 109.8 secs Computing kpt #: 283 total cpu time spent up to now is 110.2 secs Computing kpt #: 284 total cpu time spent up to now is 110.5 secs Computing kpt #: 285 total cpu time spent up to now is 110.9 secs Computing kpt #: 286 total cpu time spent up to now is 111.3 secs Computing kpt #: 287 total cpu time spent up to now is 111.6 secs Computing kpt #: 288 total cpu time spent up to now is 112.1 secs Computing kpt #: 289 total cpu time spent up to now is 112.6 secs Computing kpt #: 290 total cpu time spent up to now is 113.1 secs Computing kpt #: 291 total cpu time spent up to now is 113.5 secs Computing kpt #: 292 total cpu time spent up to now is 113.9 secs Computing kpt #: 293 total cpu time spent up to now is 114.3 secs Computing kpt #: 294 total cpu time spent up to now is 114.8 secs Computing kpt #: 295 total cpu time spent up to now is 115.2 secs Computing kpt #: 296 total cpu time spent up to now is 115.6 secs Computing kpt #: 297 total cpu time spent up to now is 116.0 secs Computing kpt #: 298 total cpu time spent up to now is 116.4 secs Computing kpt #: 299 total cpu time spent up to now is 116.8 secs Computing kpt #: 300 total cpu time spent up to now is 117.2 secs Computing kpt #: 301 total cpu time spent up to now is 117.6 secs Computing kpt #: 302 total cpu time spent up to now is 117.9 secs Computing kpt #: 303 total cpu time spent up to now is 118.4 secs Computing kpt #: 304 total cpu time spent up to now is 118.7 secs Computing kpt #: 305 total cpu time spent up to now is 119.1 secs Computing kpt #: 306 total cpu time spent up to now is 119.5 secs Computing kpt #: 307 total cpu time spent up to now is 119.9 secs Computing kpt #: 308 total cpu time spent up to now is 120.3 secs Computing kpt #: 309 total cpu time spent up to now is 120.7 secs Computing kpt #: 310 total cpu time spent up to now is 121.0 secs Computing kpt #: 311 total cpu time spent up to now is 121.5 secs Computing kpt #: 312 total cpu time spent up to now is 121.9 secs Computing kpt #: 313 total cpu time spent up to now is 122.2 secs Computing kpt #: 314 total cpu time spent up to now is 122.6 secs Computing kpt #: 315 total cpu time spent up to now is 123.0 secs Computing kpt #: 316 total cpu time spent up to now is 123.4 secs Computing kpt #: 317 total cpu time spent up to now is 123.8 secs Computing kpt #: 318 total cpu time spent up to now is 124.2 secs Computing kpt #: 319 total cpu time spent up to now is 124.6 secs Computing kpt #: 320 total cpu time spent up to now is 124.9 secs Computing kpt #: 321 total cpu time spent up to now is 125.3 secs Computing kpt #: 322 total cpu time spent up to now is 125.7 secs Computing kpt #: 323 total cpu time spent up to now is 126.1 secs Computing kpt #: 324 total cpu time spent up to now is 126.6 secs Computing kpt #: 325 total cpu time spent up to now is 127.0 secs Computing kpt #: 326 total cpu time spent up to now is 127.4 secs Computing kpt #: 327 total cpu time spent up to now is 127.8 secs Computing kpt #: 328 total cpu time spent up to now is 128.2 secs Computing kpt #: 329 total cpu time spent up to now is 128.5 secs Computing kpt #: 330 total cpu time spent up to now is 128.8 secs Computing kpt #: 331 total cpu time spent up to now is 129.3 secs Computing kpt #: 332 total cpu time spent up to now is 129.7 secs Computing kpt #: 333 total cpu time spent up to now is 130.2 secs Computing kpt #: 334 total cpu time spent up to now is 130.6 secs Computing kpt #: 335 total cpu time spent up to now is 131.0 secs Computing kpt #: 336 total cpu time spent up to now is 131.5 secs Computing kpt #: 337 total cpu time spent up to now is 131.9 secs Computing kpt #: 338 total cpu time spent up to now is 132.3 secs Computing kpt #: 339 total cpu time spent up to now is 132.8 secs Computing kpt #: 340 total cpu time spent up to now is 133.2 secs Computing kpt #: 341 total cpu time spent up to now is 133.7 secs Computing kpt #: 342 total cpu time spent up to now is 134.1 secs Computing kpt #: 343 total cpu time spent up to now is 134.6 secs Computing kpt #: 344 total cpu time spent up to now is 135.0 secs Computing kpt #: 345 total cpu time spent up to now is 135.4 secs Computing kpt #: 346 total cpu time spent up to now is 135.8 secs Computing kpt #: 347 total cpu time spent up to now is 136.2 secs Computing kpt #: 348 total cpu time spent up to now is 136.7 secs Computing kpt #: 349 total cpu time spent up to now is 137.1 secs Computing kpt #: 350 total cpu time spent up to now is 137.5 secs Computing kpt #: 351 total cpu time spent up to now is 137.9 secs Computing kpt #: 352 total cpu time spent up to now is 138.3 secs Computing kpt #: 353 total cpu time spent up to now is 138.6 secs Computing kpt #: 354 total cpu time spent up to now is 139.1 secs Computing kpt #: 355 total cpu time spent up to now is 139.5 secs Computing kpt #: 356 total cpu time spent up to now is 139.9 secs Computing kpt #: 357 total cpu time spent up to now is 140.3 secs Computing kpt #: 358 total cpu time spent up to now is 140.6 secs Computing kpt #: 359 total cpu time spent up to now is 141.0 secs Computing kpt #: 360 total cpu time spent up to now is 141.4 secs Computing kpt #: 361 total cpu time spent up to now is 141.8 secs Computing kpt #: 362 total cpu time spent up to now is 142.2 secs Computing kpt #: 363 total cpu time spent up to now is 142.6 secs Computing kpt #: 364 total cpu time spent up to now is 143.0 secs Computing kpt #: 365 total cpu time spent up to now is 143.4 secs Computing kpt #: 366 total cpu time spent up to now is 143.8 secs Computing kpt #: 367 total cpu time spent up to now is 144.2 secs Computing kpt #: 368 total cpu time spent up to now is 144.6 secs Computing kpt #: 369 total cpu time spent up to now is 145.0 secs Computing kpt #: 370 total cpu time spent up to now is 145.4 secs Computing kpt #: 371 total cpu time spent up to now is 145.8 secs Computing kpt #: 372 total cpu time spent up to now is 146.2 secs Computing kpt #: 373 total cpu time spent up to now is 146.6 secs Computing kpt #: 374 total cpu time spent up to now is 147.0 secs Computing kpt #: 375 total cpu time spent up to now is 147.4 secs Computing kpt #: 376 total cpu time spent up to now is 147.8 secs Computing kpt #: 377 total cpu time spent up to now is 148.2 secs Computing kpt #: 378 total cpu time spent up to now is 148.6 secs Computing kpt #: 379 total cpu time spent up to now is 149.0 secs Computing kpt #: 380 total cpu time spent up to now is 149.4 secs Computing kpt #: 381 total cpu time spent up to now is 149.8 secs Computing kpt #: 382 total cpu time spent up to now is 150.2 secs Computing kpt #: 383 total cpu time spent up to now is 150.6 secs Computing kpt #: 384 total cpu time spent up to now is 151.0 secs Computing kpt #: 385 total cpu time spent up to now is 151.4 secs Computing kpt #: 386 total cpu time spent up to now is 151.8 secs Computing kpt #: 387 total cpu time spent up to now is 152.2 secs Computing kpt #: 388 total cpu time spent up to now is 152.5 secs Computing kpt #: 389 total cpu time spent up to now is 152.9 secs Computing kpt #: 390 total cpu time spent up to now is 153.3 secs Computing kpt #: 391 total cpu time spent up to now is 153.7 secs Computing kpt #: 392 total cpu time spent up to now is 154.1 secs Computing kpt #: 393 total cpu time spent up to now is 154.5 secs Computing kpt #: 394 total cpu time spent up to now is 154.9 secs Computing kpt #: 395 total cpu time spent up to now is 155.3 secs Computing kpt #: 396 total cpu time spent up to now is 155.7 secs Computing kpt #: 397 total cpu time spent up to now is 156.1 secs Computing kpt #: 398 total cpu time spent up to now is 156.5 secs Computing kpt #: 399 total cpu time spent up to now is 156.9 secs Computing kpt #: 400 total cpu time spent up to now is 157.3 secs Computing kpt #: 401 total cpu time spent up to now is 157.7 secs Computing kpt #: 402 total cpu time spent up to now is 158.1 secs Computing kpt #: 403 total cpu time spent up to now is 158.5 secs Computing kpt #: 404 total cpu time spent up to now is 158.8 secs Computing kpt #: 405 total cpu time spent up to now is 159.3 secs Computing kpt #: 406 total cpu time spent up to now is 159.6 secs Computing kpt #: 407 total cpu time spent up to now is 160.0 secs Computing kpt #: 408 total cpu time spent up to now is 160.4 secs Computing kpt #: 409 total cpu time spent up to now is 160.8 secs Computing kpt #: 410 total cpu time spent up to now is 161.1 secs Computing kpt #: 411 total cpu time spent up to now is 161.5 secs Computing kpt #: 412 total cpu time spent up to now is 161.9 secs Computing kpt #: 413 total cpu time spent up to now is 162.3 secs Computing kpt #: 414 total cpu time spent up to now is 162.7 secs Computing kpt #: 415 total cpu time spent up to now is 163.1 secs Computing kpt #: 416 total cpu time spent up to now is 163.5 secs Computing kpt #: 417 total cpu time spent up to now is 163.9 secs Computing kpt #: 418 total cpu time spent up to now is 164.3 secs Computing kpt #: 419 total cpu time spent up to now is 164.7 secs Computing kpt #: 420 total cpu time spent up to now is 165.1 secs Computing kpt #: 421 total cpu time spent up to now is 165.4 secs Computing kpt #: 422 total cpu time spent up to now is 165.9 secs Computing kpt #: 423 total cpu time spent up to now is 166.2 secs Computing kpt #: 424 total cpu time spent up to now is 166.6 secs Computing kpt #: 425 total cpu time spent up to now is 167.0 secs Computing kpt #: 426 total cpu time spent up to now is 167.5 secs Computing kpt #: 427 total cpu time spent up to now is 167.8 secs Computing kpt #: 428 total cpu time spent up to now is 168.2 secs Computing kpt #: 429 total cpu time spent up to now is 168.6 secs Computing kpt #: 430 total cpu time spent up to now is 169.0 secs Computing kpt #: 431 total cpu time spent up to now is 169.4 secs Computing kpt #: 432 total cpu time spent up to now is 169.8 secs Computing kpt #: 433 total cpu time spent up to now is 170.5 secs Computing kpt #: 434 total cpu time spent up to now is 170.9 secs Computing kpt #: 435 total cpu time spent up to now is 171.3 secs Computing kpt #: 436 total cpu time spent up to now is 171.7 secs Computing kpt #: 437 total cpu time spent up to now is 172.1 secs Computing kpt #: 438 total cpu time spent up to now is 172.5 secs Computing kpt #: 439 total cpu time spent up to now is 172.9 secs Computing kpt #: 440 total cpu time spent up to now is 173.3 secs Computing kpt #: 441 total cpu time spent up to now is 173.7 secs Computing kpt #: 442 total cpu time spent up to now is 174.0 secs Computing kpt #: 443 total cpu time spent up to now is 174.4 secs Computing kpt #: 444 total cpu time spent up to now is 174.8 secs Computing kpt #: 445 total cpu time spent up to now is 175.2 secs Computing kpt #: 446 total cpu time spent up to now is 175.6 secs Computing kpt #: 447 total cpu time spent up to now is 175.9 secs Computing kpt #: 448 total cpu time spent up to now is 176.3 secs Computing kpt #: 449 total cpu time spent up to now is 176.7 secs Computing kpt #: 450 total cpu time spent up to now is 177.0 secs Computing kpt #: 451 total cpu time spent up to now is 177.4 secs Computing kpt #: 452 total cpu time spent up to now is 177.8 secs Computing kpt #: 453 total cpu time spent up to now is 178.1 secs Computing kpt #: 454 total cpu time spent up to now is 178.5 secs Computing kpt #: 455 total cpu time spent up to now is 178.9 secs Computing kpt #: 456 total cpu time spent up to now is 179.2 secs Computing kpt #: 457 total cpu time spent up to now is 179.6 secs Computing kpt #: 458 total cpu time spent up to now is 180.0 secs Computing kpt #: 459 total cpu time spent up to now is 180.3 secs Computing kpt #: 460 total cpu time spent up to now is 180.7 secs Computing kpt #: 461 total cpu time spent up to now is 181.2 secs Computing kpt #: 462 total cpu time spent up to now is 181.6 secs Computing kpt #: 463 total cpu time spent up to now is 182.0 secs Computing kpt #: 464 total cpu time spent up to now is 182.4 secs Computing kpt #: 465 total cpu time spent up to now is 182.8 secs Computing kpt #: 466 total cpu time spent up to now is 183.2 secs Computing kpt #: 467 total cpu time spent up to now is 183.7 secs Computing kpt #: 468 total cpu time spent up to now is 184.0 secs Computing kpt #: 469 total cpu time spent up to now is 184.4 secs Computing kpt #: 470 total cpu time spent up to now is 184.7 secs Computing kpt #: 471 total cpu time spent up to now is 185.1 secs Computing kpt #: 472 total cpu time spent up to now is 185.4 secs Computing kpt #: 473 total cpu time spent up to now is 185.8 secs Computing kpt #: 474 total cpu time spent up to now is 186.1 secs Computing kpt #: 475 total cpu time spent up to now is 186.4 secs Computing kpt #: 476 total cpu time spent up to now is 186.8 secs ethr = 3.85E-08, avg # of iterations = 36.2 total cpu time spent up to now is 186.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3301 PWs) bands (ev): -45.1702 -45.1702 -45.0959 -45.0959 -21.8627 -21.8627 -21.6284 -21.6284 -21.2476 -21.2476 -21.0707 -21.0707 -20.9605 -20.9605 -20.9465 -20.9465 2.7766 2.7766 7.9440 7.9440 9.2262 9.2262 9.5108 9.5108 11.8825 11.8825 12.4019 12.4019 12.4197 12.4197 13.3812 13.3812 14.1303 14.1303 k = 0.0000 0.0094-0.0000 ( 3298 PWs) bands (ev): -45.1701 -45.1701 -45.0959 -45.0959 -21.8627 -21.8627 -21.6285 -21.6285 -21.2476 -21.2476 -21.0708 -21.0708 -20.9606 -20.9606 -20.9467 -20.9467 2.7781 2.7781 7.9426 7.9426 9.2276 9.2276 9.5115 9.5115 11.8834 11.8834 12.4018 12.4018 12.4196 12.4196 13.3815 13.3815 14.1293 14.1293 k = 0.0000 0.0189-0.0000 ( 3300 PWs) bands (ev): -45.1700 -45.1700 -45.0959 -45.0959 -21.8626 -21.8626 -21.6289 -21.6289 -21.2477 -21.2477 -21.0712 -21.0712 -20.9609 -20.9609 -20.9471 -20.9471 2.7826 2.7826 7.9385 7.9385 9.2318 9.2318 9.5138 9.5138 11.8859 11.8859 12.4012 12.4012 12.4197 12.4197 13.3825 13.3825 14.1265 14.1265 k = 0.0000 0.0283-0.0000 ( 3296 PWs) bands (ev): -45.1698 -45.1698 -45.0958 -45.0958 -21.8625 -21.8625 -21.6294 -21.6294 -21.2477 -21.2477 -21.0717 -21.0717 -20.9614 -20.9614 -20.9478 -20.9478 2.7901 2.7901 7.9315 7.9315 9.2388 9.2388 9.5176 9.5176 11.8901 11.8901 12.3992 12.3992 12.4206 12.4206 13.3842 13.3842 14.1217 14.1217 k = 0.0000 0.0377-0.0000 ( 3296 PWs) bands (ev): -45.1694 -45.1694 -45.0958 -45.0958 -21.8623 -21.8623 -21.6302 -21.6302 -21.2478 -21.2478 -21.0724 -21.0724 -20.9621 -20.9621 -20.9488 -20.9488 2.8006 2.8006 7.9219 7.9219 9.2486 9.2486 9.5230 9.5230 11.8959 11.8959 12.3953 12.3953 12.4231 12.4231 13.3866 13.3866 14.1150 14.1150 k = 0.0000 0.0472-0.0000 ( 3298 PWs) bands (ev): -45.1691 -45.1691 -45.0957 -45.0957 -21.8621 -21.8621 -21.6313 -21.6313 -21.2479 -21.2479 -21.0733 -21.0733 -20.9631 -20.9631 -20.9499 -20.9499 2.8141 2.8141 7.9095 7.9095 9.2612 9.2612 9.5298 9.5298 11.9033 11.9033 12.3891 12.3891 12.4271 12.4271 13.3897 13.3897 14.1066 14.1066 k = 0.0000 0.0566-0.0000 ( 3304 PWs) bands (ev): -45.1686 -45.1686 -45.0955 -45.0955 -21.8618 -21.8618 -21.6325 -21.6325 -21.2480 -21.2480 -21.0743 -21.0743 -20.9644 -20.9644 -20.9511 -20.9511 2.8305 2.8305 7.8947 7.8947 9.2764 9.2764 9.5380 9.5380 11.9122 11.9122 12.3808 12.3808 12.4327 12.4327 13.3936 13.3936 14.0963 14.0963 k = 0.0000 0.0660-0.0000 ( 3310 PWs) bands (ev): -45.1680 -45.1680 -45.0954 -45.0954 -21.8615 -21.8615 -21.6340 -21.6340 -21.2481 -21.2481 -21.0755 -21.0755 -20.9662 -20.9662 -20.9523 -20.9523 2.8498 2.8498 7.8773 7.8773 9.2942 9.2942 9.5478 9.5478 11.9226 11.9226 12.3704 12.3704 12.4396 12.4396 13.3983 13.3983 14.0842 14.0842 k = 0.0000 0.0755-0.0000 ( 3310 PWs) bands (ev): -45.1674 -45.1674 -45.0952 -45.0952 -21.8611 -21.8611 -21.6357 -21.6357 -21.2483 -21.2483 -21.0769 -21.0769 -20.9685 -20.9685 -20.9535 -20.9535 2.8720 2.8720 7.8577 7.8577 9.3146 9.3146 9.5589 9.5589 11.9343 11.9343 12.3578 12.3578 12.4478 12.4478 13.4039 13.4039 14.0705 14.0705 k = 0.0000 0.0849-0.0000 ( 3314 PWs) bands (ev): -45.1666 -45.1666 -45.0950 -45.0950 -21.8608 -21.8608 -21.6376 -21.6376 -21.2485 -21.2485 -21.0784 -21.0784 -20.9712 -20.9712 -20.9546 -20.9546 2.8970 2.8970 7.8358 7.8358 9.3375 9.3375 9.5714 9.5714 11.9473 11.9473 12.3432 12.3432 12.4571 12.4571 13.4104 13.4104 14.0551 14.0551 k = 0.0000 0.0943-0.0000 ( 3318 PWs) bands (ev): -45.1658 -45.1658 -45.0948 -45.0948 -21.8603 -21.8603 -21.6398 -21.6398 -21.2488 -21.2488 -21.0799 -21.0799 -20.9745 -20.9745 -20.9556 -20.9556 2.9248 2.9248 7.8117 7.8117 9.3627 9.3627 9.5852 9.5852 11.9614 11.9614 12.3263 12.3263 12.4676 12.4676 13.4178 13.4178 14.0381 14.0381 k = 0.0000 0.1038-0.0000 ( 3328 PWs) bands (ev): -45.1649 -45.1649 -45.0946 -45.0946 -21.8599 -21.8599 -21.6422 -21.6422 -21.2491 -21.2491 -21.0816 -21.0816 -20.9782 -20.9782 -20.9566 -20.9566 2.9554 2.9554 7.7858 7.7858 9.3901 9.3901 9.6004 9.6004 11.9765 11.9765 12.3073 12.3073 12.4791 12.4791 13.4264 13.4264 14.0197 14.0197 k = 0.0000 0.1132-0.0000 ( 3324 PWs) bands (ev): -45.1640 -45.1640 -45.0944 -45.0944 -21.8594 -21.8594 -21.6448 -21.6448 -21.2495 -21.2495 -21.0833 -21.0833 -20.9823 -20.9823 -20.9575 -20.9575 2.9887 2.9887 7.7580 7.7580 9.4197 9.4197 9.6168 9.6168 11.9925 11.9925 12.2861 12.2861 12.4918 12.4918 13.4360 13.4360 13.9999 13.9999 k = 0.0000 0.1226-0.0000 ( 3320 PWs) bands (ev): -45.1629 -45.1629 -45.0941 -45.0941 -21.8590 -21.8590 -21.6476 -21.6476 -21.2499 -21.2499 -21.0851 -21.0851 -20.9867 -20.9867 -20.9583 -20.9583 3.0246 3.0246 7.7286 7.7286 9.4512 9.4512 9.6345 9.6345 12.0091 12.0091 12.2627 12.2627 12.5055 12.5055 13.4470 13.4470 13.9787 13.9787 k = 0.0000 0.1321-0.0000 ( 3320 PWs) bands (ev): -45.1618 -45.1618 -45.0939 -45.0939 -21.8585 -21.8585 -21.6507 -21.6507 -21.2504 -21.2504 -21.0868 -21.0868 -20.9915 -20.9915 -20.9592 -20.9592 3.0630 3.0630 7.6977 7.6977 9.4844 9.4844 9.6534 9.6534 12.0263 12.0263 12.2372 12.2372 12.5203 12.5203 13.4593 13.4593 13.9564 13.9564 k = 0.0000 0.1415-0.0000 ( 3316 PWs) bands (ev): -45.1607 -45.1607 -45.0936 -45.0936 -21.8580 -21.8580 -21.6539 -21.6539 -21.2510 -21.2510 -21.0885 -21.0885 -20.9967 -20.9967 -20.9601 -20.9601 3.1040 3.1040 7.6655 7.6655 9.5191 9.5191 9.6736 9.6736 12.0437 12.0437 12.2097 12.2097 12.5361 12.5361 13.4731 13.4731 13.9329 13.9329 k = 0.0000 0.1509-0.0000 ( 3312 PWs) bands (ev): -45.1594 -45.1594 -45.0933 -45.0933 -21.8575 -21.8575 -21.6574 -21.6574 -21.2517 -21.2517 -21.0902 -21.0902 -21.0020 -21.0020 -20.9610 -20.9610 3.1473 3.1473 7.6320 7.6320 9.5549 9.5549 9.6953 9.6953 12.0613 12.0613 12.1802 12.1802 12.5529 12.5529 13.4886 13.4886 13.9084 13.9084 k = 0.0000 0.1604-0.0000 ( 3304 PWs) bands (ev): -45.1581 -45.1581 -45.0931 -45.0931 -21.8571 -21.8571 -21.6611 -21.6611 -21.2524 -21.2524 -21.0918 -21.0918 -21.0077 -21.0077 -20.9619 -20.9619 3.1930 3.1930 7.5976 7.5976 9.5914 9.5914 9.7186 9.7186 12.0786 12.0786 12.1490 12.1490 12.5707 12.5707 13.5058 13.5058 13.8830 13.8830 k = 0.0000 0.1698-0.0000 ( 3308 PWs) bands (ev): -45.1568 -45.1568 -45.0928 -45.0928 -21.8566 -21.8566 -21.6649 -21.6649 -21.2532 -21.2532 -21.0934 -21.0934 -21.0135 -21.0135 -20.9628 -20.9628 3.2410 3.2410 7.5623 7.5623 9.6278 9.6278 9.7439 9.7439 12.0947 12.0947 12.1168 12.1168 12.5894 12.5894 13.5250 13.5250 13.8567 13.8567 k = 0.0000 0.1792-0.0000 ( 3308 PWs) bands (ev): -45.1554 -45.1554 -45.0925 -45.0925 -21.8562 -21.8562 -21.6690 -21.6690 -21.2540 -21.2540 -21.0948 -21.0948 -21.0195 -21.0195 -20.9638 -20.9638 3.2910 3.2910 7.5263 7.5263 9.6633 9.6633 9.7718 9.7718 12.0801 12.0801 12.1135 12.1135 12.6091 12.6091 13.5462 13.5462 13.8298 13.8298 k = 0.0000 0.1887-0.0000 ( 3312 PWs) bands (ev): -45.1539 -45.1539 -45.0922 -45.0922 -21.8558 -21.8558 -21.6733 -21.6733 -21.2550 -21.2550 -21.0961 -21.0961 -21.0257 -21.0257 -20.9648 -20.9648 3.3432 3.3432 7.4898 7.4898 9.6968 9.6968 9.8032 9.8032 12.0447 12.0447 12.1287 12.1287 12.6297 12.6297 13.5695 13.5695 13.8023 13.8023 k = 0.0000 0.1981-0.0000 ( 3312 PWs) bands (ev): -45.1524 -45.1524 -45.0920 -45.0920 -21.8554 -21.8554 -21.6777 -21.6777 -21.2560 -21.2560 -21.0972 -21.0972 -21.0320 -21.0320 -20.9659 -20.9659 3.3972 3.3972 7.4528 7.4528 9.7276 9.7276 9.8384 9.8384 12.0077 12.0077 12.1433 12.1433 12.6512 12.6512 13.5953 13.5953 13.7742 13.7742 k = 0.0000 0.2075-0.0000 ( 3308 PWs) bands (ev): -45.1508 -45.1508 -45.0917 -45.0917 -21.8551 -21.8551 -21.6823 -21.6823 -21.2570 -21.2570 -21.0982 -21.0982 -21.0385 -21.0385 -20.9669 -20.9669 3.4531 3.4531 7.4156 7.4156 9.7553 9.7553 9.8775 9.8775 11.9698 11.9698 12.1566 12.1566 12.6736 12.6736 13.6234 13.6234 13.7459 13.7459 k = 0.0000 0.2170-0.0000 ( 3308 PWs) bands (ev): -45.1492 -45.1492 -45.0915 -45.0915 -21.8548 -21.8548 -21.6870 -21.6870 -21.2581 -21.2581 -21.0991 -21.0991 -21.0450 -21.0450 -20.9681 -20.9681 3.5106 3.5106 7.3782 7.3782 9.7800 9.7800 9.9200 9.9200 11.9310 11.9310 12.1686 12.1686 12.6968 12.6968 13.6539 13.6539 13.7175 13.7175 k = 0.0000 0.2264-0.0000 ( 3304 PWs) bands (ev): -45.1476 -45.1476 -45.0912 -45.0912 -21.8546 -21.8546 -21.6919 -21.6919 -21.2592 -21.2592 -21.0998 -21.0998 -21.0516 -21.0516 -20.9692 -20.9692 3.5698 3.5698 7.3409 7.3409 9.8022 9.8022 9.9653 9.9653 11.8917 11.8917 12.1789 12.1789 12.7208 12.7208 13.6814 13.6814 13.6945 13.6945 k = 0.0000 0.2358-0.0000 ( 3310 PWs) bands (ev): -45.1459 -45.1459 -45.0910 -45.0910 -21.8545 -21.8545 -21.6969 -21.6969 -21.2603 -21.2603 -21.1003 -21.1003 -21.0582 -21.0582 -20.9704 -20.9704 3.6303 3.6303 7.3037 7.3037 9.8221 9.8221 10.0127 10.0127 11.8520 11.8520 12.1873 12.1873 12.7455 12.7455 13.6582 13.6582 13.7250 13.7250 k = 0.0000 0.2453-0.0000 ( 3314 PWs) bands (ev): -45.1442 -45.1442 -45.0908 -45.0908 -21.8543 -21.8543 -21.7020 -21.7020 -21.2614 -21.2614 -21.1008 -21.1008 -21.0647 -21.0647 -20.9716 -20.9716 3.6921 3.6921 7.2667 7.2667 9.8398 9.8398 10.0617 10.0617 11.8121 11.8121 12.1938 12.1938 12.7710 12.7710 13.6295 13.6295 13.7637 13.7637 k = 0.0000 0.2547-0.0000 ( 3316 PWs) bands (ev): -45.1425 -45.1425 -45.0906 -45.0906 -21.8543 -21.8543 -21.7073 -21.7073 -21.2625 -21.2625 -21.1011 -21.1011 -21.0712 -21.0712 -20.9729 -20.9729 3.7551 3.7551 7.2302 7.2302 9.8554 9.8554 10.1121 10.1121 11.7722 11.7722 12.1982 12.1982 12.7973 12.7973 13.6007 13.6007 13.8054 13.8054 k = 0.0000 0.2642-0.0000 ( 3310 PWs) bands (ev): -45.1407 -45.1407 -45.0905 -45.0905 -21.8543 -21.8543 -21.7126 -21.7126 -21.2635 -21.2635 -21.1014 -21.1014 -21.0776 -21.0776 -20.9742 -20.9742 3.8189 3.8189 7.1941 7.1941 9.8689 9.8689 10.1635 10.1635 11.7325 11.7325 12.2005 12.2005 12.8242 12.8242 13.5721 13.5721 13.8498 13.8498 k = 0.0000 0.2736-0.0000 ( 3306 PWs) bands (ev): -45.1390 -45.1390 -45.0903 -45.0903 -21.8544 -21.8544 -21.7179 -21.7179 -21.2645 -21.2645 -21.1018 -21.1018 -21.0836 -21.0836 -20.9756 -20.9756 3.8836 3.8836 7.1586 7.1586 9.8801 9.8801 10.2157 10.2157 11.6932 11.6932 12.2005 12.2005 12.8517 12.8517 13.5438 13.5438 13.8247 13.8247 k = 0.0000 0.2830-0.0000 ( 3302 PWs) bands (ev): -45.1372 -45.1372 -45.0902 -45.0902 -21.8545 -21.8545 -21.7233 -21.7233 -21.2654 -21.2654 -21.1029 -21.1029 -21.0888 -21.0888 -20.9769 -20.9769 3.9488 3.9488 7.1238 7.1238 9.8890 9.8890 10.2686 10.2686 11.6544 11.6544 12.1983 12.1983 12.8798 12.8798 13.5158 13.5158 13.7852 13.7852 k = 0.0000 0.2925-0.0000 ( 3308 PWs) bands (ev): -45.1354 -45.1354 -45.0902 -45.0902 -21.8546 -21.8546 -21.7288 -21.7288 -21.2662 -21.2662 -21.1053 -21.1053 -21.0925 -21.0925 -20.9783 -20.9783 4.0144 4.0144 7.0899 7.0899 9.8955 9.8955 10.3221 10.3221 11.6162 11.6162 12.1938 12.1938 12.9085 12.9085 13.4884 13.4884 13.7468 13.7468 k = 0.0000 0.3019-0.0000 ( 3308 PWs) bands (ev): -45.1336 -45.1336 -45.0901 -45.0901 -21.8549 -21.8549 -21.7342 -21.7342 -21.2669 -21.2669 -21.1095 -21.1095 -21.0941 -21.0941 -20.9798 -20.9798 4.0802 4.0802 7.0568 7.0568 9.8994 9.8994 10.3761 10.3761 11.5789 11.5789 12.1870 12.1870 12.9377 12.9377 13.4615 13.4615 13.7095 13.7095 k = 0.0000 0.3113-0.0000 ( 3302 PWs) bands (ev): -45.1319 -45.1319 -45.0901 -45.0901 -21.8551 -21.8551 -21.7396 -21.7396 -21.2674 -21.2674 -21.1149 -21.1149 -21.0944 -21.0944 -20.9812 -20.9812 4.1459 4.1459 7.0247 7.0247 9.9008 9.9008 10.4303 10.4303 11.5425 11.5425 12.1780 12.1780 12.9673 12.9673 13.4353 13.4353 13.6734 13.6734 k = 0.0000 0.3208-0.0000 ( 3306 PWs) bands (ev): -45.1301 -45.1301 -45.0902 -45.0902 -21.8554 -21.8554 -21.7449 -21.7449 -21.2678 -21.2678 -21.1207 -21.1207 -21.0940 -21.0940 -20.9827 -20.9827 4.2113 4.2113 6.9936 6.9936 9.8997 9.8997 10.4848 10.4848 11.5071 11.5071 12.1668 12.1668 12.9973 12.9973 13.4098 13.4098 13.6386 13.6386 k = 0.0000 0.3302-0.0000 ( 3296 PWs) bands (ev): -45.1283 -45.1283 -45.0903 -45.0903 -21.8558 -21.8558 -21.7502 -21.7502 -21.2681 -21.2681 -21.1267 -21.1267 -21.0933 -21.0933 -20.9842 -20.9842 4.2762 4.2762 6.9637 6.9637 9.8960 9.8960 10.5395 10.5395 11.4729 11.4729 12.1534 12.1534 13.0277 13.0277 13.3851 13.3851 13.6051 13.6051 k = 0.0000 0.3396-0.0000 ( 3306 PWs) bands (ev): -45.1265 -45.1265 -45.0904 -45.0904 -21.8561 -21.8561 -21.7554 -21.7554 -21.2682 -21.2682 -21.1327 -21.1327 -21.0923 -21.0923 -20.9857 -20.9857 4.3402 4.3402 6.9351 6.9351 9.8898 9.8898 10.5943 10.5943 11.4401 11.4401 12.1379 12.1379 13.0583 13.0583 13.3614 13.3614 13.5731 13.5731 k = 0.0000 0.3491-0.0000 ( 3306 PWs) bands (ev): -45.1248 -45.1248 -45.0906 -45.0906 -21.8565 -21.8565 -21.7605 -21.7605 -21.2681 -21.2681 -21.1386 -21.1386 -21.0912 -21.0912 -20.9872 -20.9872 4.4032 4.4032 6.9077 6.9077 9.8813 9.8813 10.6491 10.6491 11.4086 11.4086 12.1204 12.1204 13.0892 13.0892 13.3386 13.3386 13.5427 13.5427 k = 0.0000 0.3585-0.0000 ( 3306 PWs) bands (ev): -45.1230 -45.1230 -45.0908 -45.0908 -21.8569 -21.8569 -21.7654 -21.7654 -21.2679 -21.2679 -21.1444 -21.1444 -21.0900 -21.0900 -20.9887 -20.9887 4.4647 4.4647 6.8816 6.8816 9.8707 9.8707 10.7037 10.7037 11.3786 11.3786 12.1009 12.1009 13.1201 13.1201 13.3168 13.3168 13.5138 13.5138 k = 0.0000 0.3679-0.0000 ( 3308 PWs) bands (ev): -45.1213 -45.1213 -45.0910 -45.0910 -21.8573 -21.8573 -21.7702 -21.7702 -21.2675 -21.2675 -21.1501 -21.1501 -21.0888 -21.0888 -20.9902 -20.9902 4.5246 4.5246 6.8569 6.8569 9.8582 9.8582 10.7581 10.7581 11.3501 11.3501 12.0795 12.0795 13.1511 13.1511 13.2962 13.2962 13.4866 13.4866 k = 0.0000 0.3774-0.0000 ( 3308 PWs) bands (ev): -45.1196 -45.1196 -45.0914 -45.0914 -21.8577 -21.8577 -21.7748 -21.7748 -21.2669 -21.2669 -21.1556 -21.1556 -21.0875 -21.0875 -20.9917 -20.9917 4.5824 4.5824 6.8338 6.8338 9.8441 9.8441 10.8122 10.8122 11.3233 11.3233 12.0564 12.0564 13.1818 13.1819 13.2768 13.2768 13.4610 13.4610 k = 0.0000 0.3868-0.0000 ( 3312 PWs) bands (ev): -45.1180 -45.1180 -45.0917 -45.0917 -21.8581 -21.8581 -21.7791 -21.7791 -21.2662 -21.2662 -21.1609 -21.1609 -21.0862 -21.0862 -20.9931 -20.9931 4.6379 4.6379 6.8121 6.8121 9.8287 9.8287 10.8659 10.8659 11.2982 11.2982 12.0315 12.0315 13.2121 13.2121 13.2590 13.2590 13.4372 13.4372 k = 0.0000 0.3962-0.0000 ( 3324 PWs) bands (ev): -45.1164 -45.1164 -45.0922 -45.0922 -21.8584 -21.8584 -21.7833 -21.7833 -21.2653 -21.2653 -21.1661 -21.1661 -21.0848 -21.0848 -20.9945 -20.9945 4.6907 4.6907 6.7920 6.7920 9.8123 9.8123 10.9189 10.9189 11.2749 11.2749 12.0051 12.0051 13.2351 13.2351 13.2493 13.2493 13.4152 13.4152 k = 0.0000 0.4057-0.0000 ( 3318 PWs) bands (ev): -45.1148 -45.1148 -45.0926 -45.0926 -21.8587 -21.8587 -21.7872 -21.7872 -21.2642 -21.2642 -21.1710 -21.1710 -21.0835 -21.0835 -20.9959 -20.9959 4.7404 4.7404 6.7735 6.7735 9.7955 9.7955 10.9712 10.9712 11.2535 11.2535 11.9772 11.9772 13.2240 13.2240 13.2745 13.2745 13.3951 13.3951 k = 0.0000 0.4151-0.0000 ( 3318 PWs) bands (ev): -45.1132 -45.1132 -45.0932 -45.0932 -21.8590 -21.8590 -21.7908 -21.7908 -21.2631 -21.2631 -21.1757 -21.1757 -21.0822 -21.0822 -20.9972 -20.9972 4.7867 4.7867 6.7566 6.7566 9.7785 9.7785 11.0224 11.0224 11.2339 11.2339 11.9481 11.9481 13.2100 13.2100 13.3030 13.3030 13.3770 13.3770 k = 0.0000 0.4245-0.0000 ( 3320 PWs) bands (ev): -45.1117 -45.1117 -45.0937 -45.0937 -21.8593 -21.8593 -21.7941 -21.7941 -21.2619 -21.2619 -21.1802 -21.1802 -21.0810 -21.0810 -20.9984 -20.9984 4.8293 4.8293 6.7414 6.7414 9.7619 9.7619 11.0724 11.0724 11.2163 11.2163 11.9181 11.9181 13.1972 13.1972 13.3300 13.3300 13.3617 13.3617 k = 0.0000 0.4340-0.0000 ( 3318 PWs) bands (ev): -45.1103 -45.1103 -45.0944 -45.0944 -21.8595 -21.8595 -21.7970 -21.7970 -21.2606 -21.2606 -21.1843 -21.1843 -21.0799 -21.0799 -20.9995 -20.9995 4.8679 4.8679 6.7280 6.7280 9.7459 9.7459 11.1207 11.1207 11.2006 11.2006 11.8874 11.8874 13.1857 13.1857 13.3415 13.3415 13.3626 13.3626 k = 0.0000 0.4434-0.0000 ( 3314 PWs) bands (ev): -45.1089 -45.1089 -45.0950 -45.0950 -21.8597 -21.8597 -21.7997 -21.7997 -21.2592 -21.2592 -21.1880 -21.1880 -21.0789 -21.0789 -21.0005 -21.0005 4.9020 4.9020 6.7162 6.7162 9.7312 9.7312 11.1669 11.1669 11.1871 11.1871 11.8565 11.8565 13.1756 13.1756 13.3311 13.3311 13.3857 13.3857 k = 0.0000 0.4528-0.0000 ( 3314 PWs) bands (ev): -45.1076 -45.1076 -45.0957 -45.0957 -21.8599 -21.8599 -21.8020 -21.8020 -21.2579 -21.2579 -21.1914 -21.1914 -21.0780 -21.0780 -21.0014 -21.0014 4.9315 4.9315 6.7063 6.7063 9.7179 9.7179 11.1753 11.1753 11.2104 11.2104 11.8262 11.8262 13.1670 13.1670 13.3207 13.3207 13.4086 13.4086 k = 0.0000 0.4623-0.0000 ( 3314 PWs) bands (ev): -45.1063 -45.1063 -45.0965 -45.0965 -21.8600 -21.8600 -21.8038 -21.8038 -21.2567 -21.2567 -21.1943 -21.1943 -21.0772 -21.0772 -21.0021 -21.0021 4.9560 4.9560 6.6981 6.6981 9.7066 9.7066 11.1658 11.1658 11.2500 11.2500 11.7972 11.7972 13.1599 13.1599 13.3120 13.3120 13.4290 13.4290 k = 0.0000 0.4717-0.0000 ( 3318 PWs) bands (ev): -45.1052 -45.1052 -45.0972 -45.0972 -21.8601 -21.8601 -21.8053 -21.8053 -21.2557 -21.2557 -21.1967 -21.1967 -21.0766 -21.0766 -21.0027 -21.0027 4.9753 4.9753 6.6917 6.6917 9.6974 9.6974 11.1584 11.1584 11.2844 11.2844 11.7712 11.7712 13.1544 13.1544 13.3052 13.3052 13.4461 13.4461 k = 0.0000 0.4811-0.0000 ( 3322 PWs) bands (ev): -45.1042 -45.1042 -45.0980 -45.0980 -21.8602 -21.8602 -21.8064 -21.8064 -21.2549 -21.2549 -21.1984 -21.1984 -21.0761 -21.0761 -21.0032 -21.0032 4.9892 4.9892 6.6871 6.6871 9.6907 9.6907 11.1531 11.1531 11.3117 11.3117 11.7498 11.7498 13.1505 13.1505 13.3003 13.3003 13.4590 13.4590 k = 0.0000 0.4906-0.0000 ( 3330 PWs) bands (ev): -45.1034 -45.1034 -45.0985 -45.0985 -21.8602 -21.8602 -21.8071 -21.8071 -21.2543 -21.2543 -21.1995 -21.1995 -21.0758 -21.0758 -21.0035 -21.0035 4.9977 4.9977 6.6844 6.6844 9.6866 9.6866 11.1499 11.1499 11.3295 11.3295 11.7355 11.7355 13.1481 13.1481 13.2974 13.2974 13.4672 13.4672 k = 0.0000 0.5000-0.0000 ( 3328 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8602 -21.8602 -21.8073 -21.8073 -21.2542 -21.2542 -21.1999 -21.1999 -21.0758 -21.0758 -21.0035 -21.0035 5.0005 5.0005 6.6835 6.6835 9.6852 9.6852 11.1489 11.1489 11.3358 11.3358 11.7305 11.7305 13.1473 13.1473 13.2964 13.2964 13.4699 13.4699 k = 0.0000 0.5000-0.0000 ( 3328 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8602 -21.8602 -21.8073 -21.8073 -21.2542 -21.2542 -21.1999 -21.1999 -21.0758 -21.0758 -21.0035 -21.0035 5.0005 5.0005 6.6835 6.6835 9.6852 9.6852 11.1489 11.1489 11.3358 11.3358 11.7305 11.7305 13.1473 13.1473 13.2964 13.2964 13.4699 13.4699 k = 0.0094 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8602 -21.8602 -21.8073 -21.8073 -21.2542 -21.2542 -21.1999 -21.1999 -21.0759 -21.0759 -21.0037 -21.0037 5.0019 5.0019 6.6826 6.6826 9.6858 9.6858 11.1482 11.1482 11.3354 11.3354 11.7304 11.7304 13.1473 13.1473 13.2979 13.2979 13.4706 13.4706 k = 0.0189 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8603 -21.8603 -21.8074 -21.8074 -21.2542 -21.2542 -21.1998 -21.1998 -21.0764 -21.0764 -21.0042 -21.0042 5.0063 5.0063 6.6800 6.6800 9.6875 9.6875 11.1462 11.1462 11.3342 11.3342 11.7304 11.7304 13.1473 13.1473 13.3023 13.3023 13.4727 13.4727 k = 0.0283 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.1029 -45.1029 -45.0985 -45.0985 -21.8605 -21.8605 -21.8076 -21.8076 -21.2542 -21.2542 -21.1997 -21.1997 -21.0773 -21.0773 -21.0050 -21.0050 5.0136 5.0136 6.6756 6.6756 9.6904 9.6904 11.1429 11.1429 11.3322 11.3322 11.7303 11.7303 13.1474 13.1474 13.3096 13.3096 13.4760 13.4760 k = 0.0377 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.1027 -45.1027 -45.0984 -45.0984 -21.8607 -21.8607 -21.8079 -21.8079 -21.2543 -21.2543 -21.1996 -21.1996 -21.0785 -21.0785 -21.0061 -21.0061 5.0238 5.0238 6.6695 6.6695 9.6943 9.6943 11.1383 11.1383 11.3293 11.3293 11.7305 11.7305 13.1477 13.1477 13.3197 13.3197 13.4808 13.4808 k = 0.0472 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.1024 -45.1024 -45.0981 -45.0981 -21.8610 -21.8610 -21.8082 -21.8082 -21.2543 -21.2543 -21.1995 -21.1995 -21.0800 -21.0800 -21.0075 -21.0075 5.0369 5.0369 6.6618 6.6618 9.6992 9.6992 11.1324 11.1324 11.3254 11.3254 11.7310 11.7310 13.1483 13.1483 13.3326 13.3326 13.4869 13.4869 k = 0.0566 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.1021 -45.1021 -45.0979 -45.0979 -21.8613 -21.8613 -21.8086 -21.8086 -21.2544 -21.2544 -21.1993 -21.1993 -21.0818 -21.0818 -21.0092 -21.0092 5.0529 5.0529 6.6524 6.6524 9.7049 9.7049 11.1253 11.1253 11.3204 11.3204 11.7322 11.7322 13.1494 13.1494 13.3480 13.3480 13.4943 13.4943 k = 0.0660 0.5000-0.0000 ( 3338 PWs) bands (ev): -45.1017 -45.1017 -45.0975 -45.0975 -21.8617 -21.8617 -21.8091 -21.8091 -21.2545 -21.2545 -21.1992 -21.1992 -21.0839 -21.0839 -21.0112 -21.0112 5.0717 5.0717 6.6414 6.6414 9.7112 9.7112 11.1169 11.1169 11.3141 11.3141 11.7342 11.7342 13.1511 13.1511 13.3660 13.3660 13.5029 13.5029 k = 0.0755 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.1013 -45.1013 -45.0972 -45.0972 -21.8622 -21.8622 -21.8097 -21.8097 -21.2547 -21.2547 -21.1990 -21.1990 -21.0863 -21.0863 -21.0134 -21.0134 5.0932 5.0932 6.6288 6.6288 9.7180 9.7180 11.1074 11.1074 11.3063 11.3063 11.7374 11.7374 13.1538 13.1538 13.3863 13.3863 13.5129 13.5129 k = 0.0849 0.5000-0.0000 ( 3338 PWs) bands (ev): -45.1008 -45.1008 -45.0968 -45.0968 -21.8627 -21.8627 -21.8103 -21.8103 -21.2548 -21.2548 -21.1988 -21.1988 -21.0889 -21.0889 -21.0159 -21.0159 5.1176 5.1176 6.6147 6.6147 9.7251 9.7251 11.0967 11.0967 11.2969 11.2969 11.7422 11.7422 13.1576 13.1576 13.4087 13.4087 13.5242 13.5242 k = 0.0943 0.5000-0.0000 ( 3326 PWs) bands (ev): -45.1003 -45.1003 -45.0963 -45.0963 -21.8633 -21.8633 -21.8110 -21.8110 -21.2550 -21.2550 -21.1986 -21.1986 -21.0918 -21.0918 -21.0187 -21.0187 5.1447 5.1447 6.5992 6.5992 9.7323 9.7323 11.0848 11.0848 11.2857 11.2857 11.7488 11.7488 13.1629 13.1629 13.4333 13.4333 13.5367 13.5367 k = 0.1038 0.5000-0.0000 ( 3318 PWs) bands (ev): -45.0997 -45.0997 -45.0958 -45.0958 -21.8640 -21.8640 -21.8118 -21.8118 -21.2553 -21.2553 -21.1984 -21.1984 -21.0949 -21.0949 -21.0216 -21.0216 5.1744 5.1744 6.5823 6.5823 9.7392 9.7392 11.0719 11.0719 11.2725 11.2725 11.7577 11.7577 13.1697 13.1697 13.4596 13.4596 13.5504 13.5504 k = 0.1132 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0991 -45.0991 -45.0952 -45.0952 -21.8648 -21.8648 -21.8127 -21.8127 -21.2556 -21.2556 -21.1983 -21.1983 -21.0981 -21.0981 -21.0248 -21.0248 5.2068 5.2068 6.5642 6.5642 9.7458 9.7458 11.0580 11.0580 11.2571 11.2571 11.7691 11.7691 13.1785 13.1785 13.4877 13.4877 13.5653 13.5653 k = 0.1226 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.0984 -45.0984 -45.0947 -45.0947 -21.8656 -21.8656 -21.8137 -21.8137 -21.2559 -21.2559 -21.1982 -21.1982 -21.1015 -21.1015 -21.0282 -21.0282 5.2417 5.2417 6.5448 6.5448 9.7517 9.7517 11.0431 11.0431 11.2393 11.2393 11.7835 11.7835 13.1895 13.1895 13.5174 13.5174 13.5814 13.5814 k = 0.1321 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.0977 -45.0977 -45.0940 -45.0940 -21.8665 -21.8665 -21.8147 -21.8147 -21.2563 -21.2563 -21.1982 -21.1982 -21.1050 -21.1050 -21.0317 -21.0317 5.2792 5.2792 6.5243 6.5243 9.7567 9.7567 11.0273 11.0273 11.2189 11.2189 11.8012 11.8012 13.2028 13.2028 13.5484 13.5484 13.5986 13.5986 k = 0.1415 0.5000-0.0000 ( 3332 PWs) bands (ev): -45.0969 -45.0969 -45.0934 -45.0934 -21.8675 -21.8675 -21.8158 -21.8158 -21.2568 -21.2568 -21.1982 -21.1982 -21.1085 -21.1085 -21.0353 -21.0353 5.3191 5.3191 6.5028 6.5028 9.7606 9.7606 11.0107 11.0107 11.1959 11.1959 11.8225 11.8225 13.2188 13.2188 13.5806 13.5806 13.6170 13.6170 k = 0.1509 0.5000-0.0000 ( 3332 PWs) bands (ev): -45.0962 -45.0962 -45.0927 -45.0927 -21.8686 -21.8686 -21.8170 -21.8170 -21.2573 -21.2573 -21.1984 -21.1984 -21.1121 -21.1121 -21.0391 -21.0391 5.3613 5.3613 6.4803 6.4803 9.7633 9.7633 10.9932 10.9932 11.1701 11.1701 11.8476 11.8476 13.2375 13.2375 13.6135 13.6135 13.6369 13.6369 k = 0.1604 0.5000-0.0000 ( 3332 PWs) bands (ev): -45.0953 -45.0953 -45.0920 -45.0920 -21.8698 -21.8698 -21.8183 -21.8183 -21.2579 -21.2579 -21.1986 -21.1986 -21.1157 -21.1157 -21.0429 -21.0429 5.4059 5.4059 6.4569 6.4569 9.7645 9.7645 10.9751 10.9751 11.1415 11.1415 11.8768 11.8768 13.2591 13.2591 13.6457 13.6457 13.6593 13.6593 k = 0.1698 0.5000-0.0000 ( 3332 PWs) bands (ev): -45.0945 -45.0945 -45.0912 -45.0912 -21.8710 -21.8710 -21.8196 -21.8196 -21.2587 -21.2587 -21.1990 -21.1990 -21.1192 -21.1192 -21.0468 -21.0468 5.4527 5.4527 6.4328 6.4328 9.7642 9.7642 10.9563 10.9563 11.1099 11.1099 11.9103 11.9103 13.2838 13.2838 13.6730 13.6730 13.6886 13.6886 k = 0.1792 0.5000-0.0000 ( 3324 PWs) bands (ev): -45.0936 -45.0936 -45.0905 -45.0905 -21.8724 -21.8724 -21.8211 -21.8211 -21.2595 -21.2595 -21.1996 -21.1996 -21.1226 -21.1226 -21.0507 -21.0507 5.5016 5.5016 6.4081 6.4081 9.7623 9.7623 10.9370 10.9370 11.0754 11.0754 11.9481 11.9481 13.3115 13.3115 13.6964 13.6964 13.7232 13.7232 k = 0.1887 0.5000-0.0000 ( 3326 PWs) bands (ev): -45.0927 -45.0927 -45.0897 -45.0897 -21.8738 -21.8738 -21.8226 -21.8226 -21.2604 -21.2604 -21.2003 -21.2003 -21.1258 -21.1258 -21.0546 -21.0546 5.5526 5.5526 6.3827 6.3827 9.7587 9.7587 10.9172 10.9172 11.0381 11.0381 11.9905 11.9905 13.3422 13.3422 13.7196 13.7196 13.7596 13.7596 k = 0.1981 0.5000-0.0000 ( 3328 PWs) bands (ev): -45.0918 -45.0918 -45.0889 -45.0889 -21.8754 -21.8754 -21.8241 -21.8241 -21.2614 -21.2614 -21.2013 -21.2013 -21.1289 -21.1289 -21.0585 -21.0585 5.6056 5.6056 6.3569 6.3569 9.7534 9.7534 10.8969 10.8969 10.9978 10.9978 12.0373 12.0373 13.3761 13.3761 13.7432 13.7432 13.7967 13.7967 k = 0.2075 0.5000-0.0000 ( 3326 PWs) bands (ev): -45.0908 -45.0908 -45.0881 -45.0881 -21.8770 -21.8770 -21.8258 -21.8258 -21.2625 -21.2625 -21.2025 -21.2025 -21.1317 -21.1317 -21.0624 -21.0624 5.6604 5.6604 6.3308 6.3308 9.7465 9.7465 10.8763 10.8763 10.9549 10.9549 12.0887 12.0887 13.4129 13.4129 13.7674 13.7674 13.8343 13.8343 k = 0.2170 0.5000-0.0000 ( 3326 PWs) bands (ev): -45.0898 -45.0898 -45.0872 -45.0872 -21.8788 -21.8788 -21.8275 -21.8275 -21.2637 -21.2637 -21.2040 -21.2040 -21.1343 -21.1343 -21.0661 -21.0661 5.7170 5.7170 6.3043 6.3043 9.7380 9.7380 10.8554 10.8554 10.9092 10.9092 12.1444 12.1444 13.4526 13.4526 13.7922 13.7922 13.8723 13.8723 k = 0.2264 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0889 -45.0889 -45.0864 -45.0864 -21.8806 -21.8806 -21.8292 -21.8292 -21.2651 -21.2651 -21.2057 -21.2057 -21.1366 -21.1366 -21.0698 -21.0698 5.7753 5.7753 6.2777 6.2777 9.7280 9.7280 10.8343 10.8343 10.8611 10.8611 12.2044 12.2044 13.4950 13.4950 13.8174 13.8174 13.9105 13.9105 k = 0.2358 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0879 -45.0879 -45.0855 -45.0855 -21.8825 -21.8825 -21.8310 -21.8310 -21.2665 -21.2665 -21.2076 -21.2076 -21.1386 -21.1386 -21.0733 -21.0733 5.8351 5.8351 6.2510 6.2510 9.7166 9.7166 10.8105 10.8105 10.8131 10.8131 12.2686 12.2686 13.5401 13.5401 13.8430 13.8430 13.9488 13.9488 k = 0.2453 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0869 -45.0869 -45.0846 -45.0846 -21.8846 -21.8846 -21.8328 -21.8328 -21.2681 -21.2681 -21.2098 -21.2098 -21.1403 -21.1403 -21.0768 -21.0768 5.8964 5.8964 6.2243 6.2243 9.7040 9.7040 10.7578 10.7578 10.7919 10.7919 12.3368 12.3368 13.5876 13.5876 13.8690 13.8690 13.9870 13.9870 k = 0.2547 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0859 -45.0859 -45.0838 -45.0838 -21.8867 -21.8867 -21.8347 -21.8347 -21.2698 -21.2698 -21.2122 -21.2122 -21.1417 -21.1417 -21.0800 -21.0800 5.9590 5.9590 6.1977 6.1977 9.6904 9.6904 10.7029 10.7029 10.7707 10.7707 12.4087 12.4087 13.6372 13.6372 13.8953 13.8953 14.0251 14.0251 k = 0.2642 0.5000-0.0000 ( 3326 PWs) bands (ev): -45.0849 -45.0849 -45.0829 -45.0829 -21.8888 -21.8888 -21.8366 -21.8366 -21.2716 -21.2716 -21.2147 -21.2147 -21.1429 -21.1429 -21.0831 -21.0831 6.0228 6.0228 6.1714 6.1714 9.6757 9.6757 10.6462 10.6462 10.7496 10.7496 12.4842 12.4842 13.6889 13.6889 13.9218 13.9218 14.0630 14.0630 k = 0.2736 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0839 -45.0839 -45.0821 -45.0821 -21.8911 -21.8911 -21.8385 -21.8385 -21.2734 -21.2734 -21.2174 -21.2174 -21.1439 -21.1439 -21.0859 -21.0859 6.0875 6.0875 6.1455 6.1455 9.6603 9.6603 10.5878 10.5878 10.7287 10.7287 12.5630 12.5630 13.7423 13.7423 13.9484 13.9484 14.1004 14.1004 k = 0.2830 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.0829 -45.0829 -45.0812 -45.0812 -21.8934 -21.8934 -21.8404 -21.8404 -21.2754 -21.2754 -21.2203 -21.2203 -21.1447 -21.1447 -21.0886 -21.0886 6.1188 6.1188 6.1543 6.1543 9.6443 9.6443 10.5278 10.5278 10.7081 10.7081 12.6448 12.6448 13.7970 13.7970 13.9751 13.9751 14.1375 14.1375 k = 0.2925 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0820 -45.0820 -45.0804 -45.0804 -21.8958 -21.8958 -21.8424 -21.8424 -21.2774 -21.2774 -21.2232 -21.2232 -21.1453 -21.1453 -21.0911 -21.0911 6.0940 6.0940 6.2206 6.2206 9.6279 9.6279 10.4665 10.4665 10.6877 10.6877 12.7294 12.7294 13.8529 13.8529 14.0017 14.0017 14.1739 14.1739 k = 0.3019 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0810 -45.0810 -45.0795 -45.0795 -21.8982 -21.8982 -21.8443 -21.8443 -21.2794 -21.2794 -21.2261 -21.2261 -21.1457 -21.1457 -21.0934 -21.0934 6.0693 6.0693 6.2878 6.2878 9.6111 9.6111 10.4042 10.4042 10.6678 10.6678 12.8166 12.8166 13.9095 13.9095 14.0282 14.0282 14.2096 14.2096 k = 0.3113 0.5000-0.0000 ( 3330 PWs) bands (ev): -45.0801 -45.0801 -45.0787 -45.0787 -21.9007 -21.9007 -21.8462 -21.8462 -21.2815 -21.2815 -21.2291 -21.2291 -21.1460 -21.1460 -21.0954 -21.0954 6.0452 6.0452 6.3556 6.3556 9.5942 9.5942 10.3409 10.3409 10.6483 10.6483 12.9059 12.9059 13.9665 13.9665 14.0545 14.0545 14.2446 14.2446 k = 0.3208 0.5000-0.0000 ( 3334 PWs) bands (ev): -45.0792 -45.0792 -45.0779 -45.0779 -21.9032 -21.9032 -21.8481 -21.8481 -21.2836 -21.2836 -21.2321 -21.2321 -21.1463 -21.1463 -21.0973 -21.0973 6.0218 6.0218 6.4238 6.4238 9.5772 9.5772 10.2769 10.2769 10.6294 10.6294 12.9972 12.9972 14.0230 14.0230 14.0810 14.0810 14.2787 14.2787 k = 0.3302 0.5000-0.0000 ( 3340 PWs) bands (ev): -45.0783 -45.0783 -45.0772 -45.0772 -21.9057 -21.9057 -21.8500 -21.8500 -21.2857 -21.2857 -21.2350 -21.2350 -21.1464 -21.1464 -21.0989 -21.0989 5.9991 5.9991 6.4920 6.4920 9.5604 9.5604 10.2124 10.2124 10.6110 10.6110 13.0901 13.0901 14.0775 14.0775 14.1088 14.1088 14.3117 14.3117 k = 0.3396 0.5000-0.0000 ( 3332 PWs) bands (ev): -45.0774 -45.0774 -45.0764 -45.0764 -21.9082 -21.9082 -21.8518 -21.8518 -21.2878 -21.2878 -21.2378 -21.2378 -21.1465 -21.1465 -21.1004 -21.1004 5.9773 5.9773 6.5601 6.5601 9.5438 9.5438 10.1478 10.1478 10.5933 10.5933 13.1843 13.1843 14.1209 14.1209 14.1463 14.1463 14.3437 14.3437 k = 0.3491 0.5000-0.0000 ( 3336 PWs) bands (ev): -45.0766 -45.0766 -45.0757 -45.0757 -21.9106 -21.9106 -21.8536 -21.8536 -21.2898 -21.2898 -21.2406 -21.2406 -21.1466 -21.1466 -21.1017 -21.1017 5.9563 5.9563 6.6279 6.6279 9.5276 9.5276 10.0831 10.0831 10.5763 10.5763 13.2795 13.2795 14.1491 14.1491 14.1971 14.1971 14.3744 14.3744 k = 0.3585 0.5000-0.0000 ( 3332 PWs) bands (ev): -45.0758 -45.0758 -45.0750 -45.0750 -21.9130 -21.9130 -21.8553 -21.8553 -21.2918 -21.2918 -21.2433 -21.2433 -21.1466 -21.1466 -21.1028 -21.1028 5.9363 5.9363 6.6952 6.6952 9.5118 9.5118 10.0188 10.0188 10.5600 10.5600 13.3753 13.3753 14.1733 14.1733 14.2496 14.2496 14.4038 14.4038 k = 0.3679 0.5000-0.0000 ( 3336 PWs) bands (ev): -45.0751 -45.0751 -45.0743 -45.0743 -21.9154 -21.9154 -21.8570 -21.8570 -21.2937 -21.2937 -21.2459 -21.2459 -21.1466 -21.1466 -21.1037 -21.1037 5.9174 5.9174 6.7616 6.7616 9.4966 9.4966 9.9551 9.9551 10.5446 10.5446 13.4715 13.4715 14.1959 14.1959 14.3005 14.3005 14.4318 14.4318 k = 0.3774 0.5000-0.0000 ( 3342 PWs) bands (ev): -45.0743 -45.0743 -45.0737 -45.0737 -21.9177 -21.9177 -21.8585 -21.8585 -21.2955 -21.2955 -21.2484 -21.2484 -21.1465 -21.1465 -21.1045 -21.1045 5.8995 5.8995 6.8268 6.8268 9.4821 9.4821 9.8923 9.8923 10.5300 10.5300 13.5677 13.5677 14.2173 14.2173 14.3489 14.3489 14.4583 14.4583 k = 0.3868 0.5000-0.0000 ( 3338 PWs) bands (ev): -45.0737 -45.0737 -45.0731 -45.0731 -21.9199 -21.9199 -21.8600 -21.8600 -21.2973 -21.2973 -21.2507 -21.2507 -21.1465 -21.1465 -21.1052 -21.1052 5.8827 5.8827 6.8905 6.8905 9.4684 9.4684 9.8308 9.8308 10.5162 10.5162 13.6634 13.6634 14.2375 14.2375 14.3942 14.3942 14.4832 14.4832 k = 0.3962 0.5000-0.0000 ( 3344 PWs) bands (ev): -45.0730 -45.0730 -45.0726 -45.0726 -21.9220 -21.9220 -21.8615 -21.8615 -21.2989 -21.2989 -21.2529 -21.2529 -21.1465 -21.1465 -21.1058 -21.1058 5.8671 5.8671 6.9523 6.9523 9.4554 9.4554 9.7710 9.7710 10.5035 10.5035 13.7583 13.7583 14.2564 14.2564 14.4359 14.4359 14.5064 14.5064 k = 0.4057 0.5000-0.0000 ( 3348 PWs) bands (ev): -45.0725 -45.0725 -45.0721 -45.0721 -21.9240 -21.9240 -21.8628 -21.8628 -21.3004 -21.3004 -21.2549 -21.2549 -21.1464 -21.1464 -21.1063 -21.1063 5.8527 5.8527 7.0118 7.0118 9.4434 9.4434 9.7134 9.7134 10.4917 10.4917 13.8519 13.8519 14.2740 14.2740 14.4735 14.4735 14.5278 14.5278 k = 0.4151 0.5000-0.0000 ( 3348 PWs) bands (ev): -45.0719 -45.0719 -45.0716 -45.0716 -21.9258 -21.9258 -21.8640 -21.8640 -21.3018 -21.3018 -21.2568 -21.2568 -21.1464 -21.1464 -21.1067 -21.1067 5.8395 5.8395 7.0684 7.0684 9.4323 9.4323 9.6585 9.6585 10.4809 10.4809 13.9437 13.9437 14.2902 14.2902 14.5066 14.5066 14.5474 14.5474 k = 0.4245 0.5000-0.0000 ( 3356 PWs) bands (ev): -45.0715 -45.0715 -45.0712 -45.0712 -21.9275 -21.9275 -21.8651 -21.8651 -21.3031 -21.3031 -21.2584 -21.2584 -21.1463 -21.1463 -21.1070 -21.1070 5.8277 5.8277 7.1216 7.1216 9.4222 9.4222 9.6067 9.6067 10.4712 10.4712 14.0332 14.0332 14.3049 14.3049 14.5351 14.5351 14.5649 14.5649 k = 0.4340 0.5000-0.0000 ( 3352 PWs) bands (ev): -45.0710 -45.0710 -45.0708 -45.0708 -21.9290 -21.9290 -21.8661 -21.8661 -21.3042 -21.3042 -21.2599 -21.2599 -21.1462 -21.1462 -21.1072 -21.1072 5.8171 5.8171 7.1708 7.1708 9.4132 9.4132 9.5587 9.5587 10.4625 10.4625 14.1197 14.1197 14.3181 14.3181 14.5589 14.5589 14.5805 14.5805 k = 0.4434 0.5000-0.0000 ( 3352 PWs) bands (ev): -45.0706 -45.0706 -45.0705 -45.0705 -21.9303 -21.9303 -21.8670 -21.8670 -21.3052 -21.3052 -21.2613 -21.2613 -21.1462 -21.1462 -21.1074 -21.1074 5.8079 5.8079 7.2155 7.2155 9.4053 9.4053 9.5152 9.5152 10.4550 10.4550 14.2023 14.2023 14.3296 14.3296 14.5784 14.5784 14.5938 14.5938 k = 0.4528 0.5000-0.0000 ( 3352 PWs) bands (ev): -45.0703 -45.0703 -45.0702 -45.0702 -21.9315 -21.9315 -21.8677 -21.8677 -21.3060 -21.3060 -21.2624 -21.2624 -21.1462 -21.1462 -21.1076 -21.1076 5.8001 5.8001 7.2548 7.2548 9.3986 9.3986 9.4768 9.4768 10.4486 10.4486 14.2799 14.2799 14.3395 14.3395 14.5937 14.5937 14.6049 14.6049 k = 0.4623 0.5000-0.0000 ( 3356 PWs) bands (ev): -45.0701 -45.0701 -45.0700 -45.0700 -21.9325 -21.9325 -21.8683 -21.8683 -21.3067 -21.3067 -21.2633 -21.2633 -21.1461 -21.1461 -21.1077 -21.1077 5.7937 5.7937 7.2882 7.2882 9.3931 9.3931 9.4441 9.4441 10.4433 10.4433 14.3470 14.3470 14.3517 14.3517 14.6054 14.6054 14.6136 14.6136 k = 0.4717 0.5000-0.0000 ( 3356 PWs) bands (ev): -45.0699 -45.0699 -45.0698 -45.0698 -21.9332 -21.9332 -21.8688 -21.8688 -21.3072 -21.3072 -21.2640 -21.2640 -21.1461 -21.1461 -21.1078 -21.1078 5.7887 5.7887 7.3150 7.3150 9.3887 9.3887 9.4179 9.4179 10.4392 10.4392 14.3540 14.3540 14.4135 14.4135 14.6139 14.6139 14.6198 14.6198 k = 0.4811 0.5000-0.0000 ( 3348 PWs) bands (ev): -45.0697 -45.0697 -45.0697 -45.0697 -21.9338 -21.9338 -21.8692 -21.8692 -21.3076 -21.3076 -21.2645 -21.2645 -21.1461 -21.1461 -21.1078 -21.1078 5.7851 5.7851 7.3346 7.3346 9.3856 9.3856 9.3988 9.3988 10.4362 10.4362 14.3586 14.3586 14.4640 14.4640 14.6194 14.6194 14.6233 14.6233 k = 0.4906 0.5000-0.0000 ( 3344 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9341 -21.9341 -21.8694 -21.8694 -21.3079 -21.3079 -21.2648 -21.2648 -21.1461 -21.1461 -21.1079 -21.1079 5.7829 5.7829 7.3466 7.3466 9.3837 9.3837 9.3871 9.3871 10.4344 10.4344 14.3614 14.3614 14.4980 14.4980 14.6221 14.6221 14.6249 14.6249 k = 0.5000 0.5000-0.0000 ( 3328 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9342 -21.9342 -21.8694 -21.8694 -21.3079 -21.3079 -21.2649 -21.2649 -21.1461 -21.1461 -21.1079 -21.1079 5.7822 5.7822 7.3506 7.3506 9.3828 9.3828 9.3834 9.3834 10.4338 10.4338 14.3623 14.3623 14.5103 14.5103 14.6226 14.6226 14.6255 14.6255 k = 0.5000 0.5000-0.0000 ( 3328 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9342 -21.9342 -21.8694 -21.8694 -21.3079 -21.3079 -21.2649 -21.2649 -21.1461 -21.1461 -21.1079 -21.1079 5.7822 5.7822 7.3506 7.3506 9.3828 9.3828 9.3834 9.3834 10.4338 10.4338 14.3623 14.3623 14.5103 14.5103 14.6226 14.6226 14.6255 14.6255 k = 0.4933 0.4933-0.0000 ( 3342 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9341 -21.9341 -21.8694 -21.8694 -21.3079 -21.3079 -21.2648 -21.2648 -21.1461 -21.1461 -21.1079 -21.1079 5.7829 5.7829 7.3466 7.3466 9.3844 9.3844 9.3864 9.3864 10.4344 10.4344 14.3614 14.3614 14.4980 14.4980 14.6220 14.6220 14.6251 14.6251 k = 0.4867 0.4867-0.0000 ( 3346 PWs) bands (ev): -45.0698 -45.0698 -45.0696 -45.0696 -21.9338 -21.9338 -21.8692 -21.8692 -21.3076 -21.3076 -21.2645 -21.2645 -21.1461 -21.1461 -21.1078 -21.1078 5.7851 5.7851 7.3346 7.3346 9.3883 9.3883 9.3961 9.3961 10.4362 10.4362 14.3586 14.3586 14.4641 14.4641 14.6185 14.6185 14.6247 14.6248 k = 0.4800 0.4800-0.0000 ( 3346 PWs) bands (ev): -45.0700 -45.0700 -45.0697 -45.0697 -21.9332 -21.9332 -21.8688 -21.8688 -21.3072 -21.3072 -21.2640 -21.2640 -21.1461 -21.1461 -21.1078 -21.1078 5.7887 5.7887 7.3149 7.3149 9.3948 9.3948 9.4119 9.4119 10.4392 10.4392 14.3538 14.3538 14.4140 14.4140 14.6117 14.6117 14.6238 14.6238 k = 0.4733 0.4733-0.0000 ( 3354 PWs) bands (ev): -45.0703 -45.0703 -45.0698 -45.0698 -21.9325 -21.9325 -21.8683 -21.8683 -21.3067 -21.3067 -21.2633 -21.2633 -21.1462 -21.1462 -21.1077 -21.1077 5.7937 5.7937 7.2878 7.2878 9.4039 9.4039 9.4337 9.4337 10.4433 10.4433 14.3467 14.3467 14.3530 14.3530 14.6020 14.6020 14.6215 14.6215 k = 0.4667 0.4667-0.0000 ( 3354 PWs) bands (ev): -45.0707 -45.0707 -45.0699 -45.0699 -21.9315 -21.9315 -21.8677 -21.8677 -21.3060 -21.3060 -21.2624 -21.2624 -21.1462 -21.1462 -21.1075 -21.1075 5.8001 5.8001 7.2537 7.2537 9.4156 9.4156 9.4608 9.4608 10.4487 10.4487 14.2832 14.2832 14.3381 14.3381 14.5895 14.5895 14.6180 14.6180 k = 0.4600 0.4600-0.0000 ( 3354 PWs) bands (ev): -45.0712 -45.0712 -45.0700 -45.0700 -21.9303 -21.9303 -21.8669 -21.8669 -21.3052 -21.3052 -21.2612 -21.2612 -21.1463 -21.1463 -21.1073 -21.1073 5.8080 5.8080 7.2132 7.2132 9.4297 9.4297 9.4928 9.4928 10.4552 10.4552 14.2082 14.2082 14.3267 14.3267 14.5740 14.5740 14.6134 14.6134 k = 0.4533 0.4533-0.0000 ( 3362 PWs) bands (ev): -45.0717 -45.0717 -45.0701 -45.0701 -21.9289 -21.9289 -21.8660 -21.8660 -21.3042 -21.3042 -21.2599 -21.2599 -21.1465 -21.1465 -21.1071 -21.1071 5.8173 5.8173 7.1668 7.1668 9.4464 9.4464 9.5292 9.5292 10.4629 10.4629 14.1291 14.1291 14.3128 14.3128 14.5556 14.5556 14.6077 14.6077 k = 0.4467 0.4467-0.0000 ( 3358 PWs) bands (ev): -45.0724 -45.0724 -45.0703 -45.0703 -21.9274 -21.9274 -21.8650 -21.8650 -21.3031 -21.3031 -21.2583 -21.2583 -21.1467 -21.1467 -21.1067 -21.1067 5.8281 5.8281 7.1150 7.1150 9.4654 9.4654 9.5694 9.5694 10.4719 10.4719 14.0471 14.0471 14.2961 14.2961 14.5341 14.5341 14.6009 14.6009 k = 0.4400 0.4400-0.0000 ( 3358 PWs) bands (ev): -45.0731 -45.0731 -45.0705 -45.0705 -21.9256 -21.9256 -21.8638 -21.8638 -21.3019 -21.3019 -21.2565 -21.2565 -21.1470 -21.1470 -21.1063 -21.1063 5.8402 5.8402 7.0583 7.0583 9.4869 9.4869 9.6129 9.6129 10.4820 10.4820 13.9629 13.9629 14.2766 14.2766 14.5095 14.5095 14.5932 14.5932 k = 0.4333 0.4333-0.0000 ( 3346 PWs) bands (ev): -45.0739 -45.0739 -45.0707 -45.0707 -21.9237 -21.9237 -21.8624 -21.8624 -21.3005 -21.3005 -21.2546 -21.2546 -21.1473 -21.1473 -21.1057 -21.1057 5.8537 5.8537 6.9972 6.9972 9.5106 9.5106 9.6591 9.6591 10.4933 10.4933 13.8772 13.8772 14.2542 14.2542 14.4815 14.4815 14.5844 14.5844 k = 0.4267 0.4267-0.0000 ( 3346 PWs) bands (ev): -45.0748 -45.0748 -45.0709 -45.0709 -21.9216 -21.9216 -21.8609 -21.8609 -21.2990 -21.2990 -21.2524 -21.2524 -21.1478 -21.1478 -21.1051 -21.1051 5.8686 5.8686 6.9322 6.9322 9.5365 9.5365 9.7076 9.7076 10.5059 10.5059 13.7908 13.7908 14.2289 14.2289 14.4502 14.4502 14.5747 14.5747 k = 0.4200 0.4200-0.0000 ( 3340 PWs) bands (ev): -45.0758 -45.0758 -45.0712 -45.0712 -21.9193 -21.9193 -21.8593 -21.8593 -21.2974 -21.2974 -21.2500 -21.2500 -21.1483 -21.1483 -21.1043 -21.1043 5.8848 5.8848 6.8636 6.8636 9.5645 9.5645 9.7579 9.7579 10.5197 10.5197 13.7040 13.7040 14.2008 14.2008 14.4153 14.4153 14.5639 14.5639 k = 0.4133 0.4133-0.0000 ( 3338 PWs) bands (ev): -45.0769 -45.0769 -45.0714 -45.0714 -21.9169 -21.9169 -21.8575 -21.8575 -21.2956 -21.2956 -21.2474 -21.2474 -21.1489 -21.1489 -21.1033 -21.1033 5.9024 5.9024 6.7919 6.7919 9.5946 9.5946 9.8095 9.8095 10.5347 10.5347 13.6174 13.6174 14.1699 14.1699 14.3767 14.3767 14.5521 14.5521 k = 0.4067 0.4067-0.0000 ( 3340 PWs) bands (ev): -45.0780 -45.0780 -45.0717 -45.0717 -21.9144 -21.9144 -21.8556 -21.8556 -21.2938 -21.2938 -21.2446 -21.2446 -21.1496 -21.1496 -21.1022 -21.1022 5.9214 5.9214 6.7174 6.7174 9.6265 9.6265 9.8621 9.8621 10.5509 10.5509 13.5315 13.5315 14.1364 14.1364 14.3343 14.3343 14.5391 14.5391 k = 0.4000 0.4000-0.0000 ( 3342 PWs) bands (ev): -45.0792 -45.0792 -45.0720 -45.0720 -21.9118 -21.9118 -21.8535 -21.8535 -21.2919 -21.2919 -21.2416 -21.2416 -21.1504 -21.1504 -21.1009 -21.1009 5.9417 5.9417 6.6403 6.6403 9.6602 9.6602 9.9153 9.9153 10.5684 10.5684 13.4467 13.4467 14.1007 14.1007 14.2880 14.2880 14.5239 14.5239 k = 0.3933 0.3933-0.0000 ( 3338 PWs) bands (ev): -45.0805 -45.0805 -45.0724 -45.0724 -21.9091 -21.9091 -21.8512 -21.8512 -21.2899 -21.2899 -21.2384 -21.2384 -21.1512 -21.1512 -21.0995 -21.0995 5.9632 5.9632 6.5609 6.5609 9.6956 9.6956 9.9686 9.9686 10.5871 10.5871 13.3634 13.3634 14.0629 14.0629 14.2377 14.2377 14.4919 14.4919 k = 0.3867 0.3867-0.0000 ( 3346 PWs) bands (ev): -45.0818 -45.0818 -45.0727 -45.0727 -21.9063 -21.9063 -21.8488 -21.8488 -21.2878 -21.2878 -21.2350 -21.2350 -21.1521 -21.1521 -21.0979 -21.0979 5.9861 5.9861 6.4795 6.4795 9.7324 9.7324 10.0217 10.0217 10.6071 10.6071 13.2821 13.2821 14.0232 14.0232 14.1838 14.1838 14.4404 14.4404 k = 0.3800 0.3800-0.0000 ( 3340 PWs) bands (ev): -45.0832 -45.0832 -45.0731 -45.0731 -21.9034 -21.9034 -21.8462 -21.8462 -21.2856 -21.2856 -21.2314 -21.2314 -21.1531 -21.1531 -21.0962 -21.0962 6.0102 6.0102 6.3964 6.3964 9.7705 9.7705 10.0742 10.0742 10.6283 10.6283 13.2033 13.2033 13.9820 13.9820 14.1265 14.1265 14.3872 14.3872 k = 0.3733 0.3733-0.0000 ( 3340 PWs) bands (ev): -45.0847 -45.0847 -45.0734 -45.0734 -21.9005 -21.9005 -21.8434 -21.8434 -21.2834 -21.2834 -21.2276 -21.2276 -21.1541 -21.1541 -21.0943 -21.0943 6.0356 6.0356 6.3116 6.3116 9.8096 9.8096 10.1256 10.1256 10.6508 10.6508 13.1274 13.1274 13.9394 13.9394 14.0662 14.0662 14.3340 14.3340 k = 0.3667 0.3667-0.0000 ( 3336 PWs) bands (ev): -45.0862 -45.0862 -45.0738 -45.0738 -21.8976 -21.8976 -21.8405 -21.8405 -21.2811 -21.2811 -21.2237 -21.2237 -21.1550 -21.1550 -21.0923 -21.0923 6.0621 6.0621 6.2255 6.2255 9.8497 9.8497 10.1756 10.1756 10.6745 10.6745 13.0549 13.0549 13.8957 13.8957 14.0035 14.0035 14.2810 14.2810 k = 0.3600 0.3600-0.0000 ( 3336 PWs) bands (ev): -45.0878 -45.0878 -45.0742 -45.0742 -21.8947 -21.8947 -21.8373 -21.8373 -21.2788 -21.2788 -21.2196 -21.2196 -21.1560 -21.1560 -21.0901 -21.0901 6.0896 6.0896 6.1384 6.1384 9.8903 9.8903 10.2236 10.2236 10.6994 10.6994 12.9862 12.9862 13.8511 13.8511 13.9389 13.9389 14.2282 14.2282 k = 0.3533 0.3533-0.0000 ( 3336 PWs) bands (ev): -45.0895 -45.0895 -45.0747 -45.0747 -21.8919 -21.8919 -21.8340 -21.8340 -21.2764 -21.2764 -21.2154 -21.2154 -21.1568 -21.1568 -21.0879 -21.0879 6.0493 6.0493 6.1193 6.1193 9.9314 9.9314 10.2692 10.2692 10.7256 10.7256 12.9219 12.9219 13.8057 13.8057 13.8729 13.8729 14.1756 14.1756 k = 0.3467 0.3467-0.0000 ( 3332 PWs) bands (ev): -45.0912 -45.0912 -45.0751 -45.0751 -21.8891 -21.8891 -21.8304 -21.8304 -21.2741 -21.2741 -21.2111 -21.2111 -21.1576 -21.1576 -21.0854 -21.0854 5.9601 5.9601 6.1493 6.1493 9.9725 9.9725 10.3120 10.3120 10.7531 10.7531 12.8625 12.8625 13.7595 13.7595 13.8064 13.8064 14.1233 14.1233 k = 0.3400 0.3400-0.0000 ( 3326 PWs) bands (ev): -45.0929 -45.0929 -45.0756 -45.0756 -21.8863 -21.8863 -21.8267 -21.8267 -21.2717 -21.2717 -21.2067 -21.2067 -21.1582 -21.1582 -21.0829 -21.0829 5.8701 5.8701 6.1804 6.1804 10.0134 10.0134 10.3514 10.3514 10.7818 10.7818 12.8085 12.8085 13.7121 13.7121 13.7404 13.7404 14.0712 14.0712 k = 0.3333 0.3333-0.0000 ( 3327 PWs) bands (ev): -45.0947 -45.0947 -45.0760 -45.0760 -21.8836 -21.8836 -21.8228 -21.8228 -21.2694 -21.2694 -21.2023 -21.2023 -21.1585 -21.1585 -21.0803 -21.0803 5.7794 5.7794 6.2128 6.2128 10.0536 10.0536 10.3868 10.3868 10.8117 10.8117 12.7604 12.7604 13.6603 13.6603 13.6788 13.6788 14.0196 14.0196 k = 0.3267 0.3267-0.0000 ( 3325 PWs) bands (ev): -45.0966 -45.0966 -45.0765 -45.0765 -21.8810 -21.8810 -21.8187 -21.8187 -21.2671 -21.2671 -21.1980 -21.1980 -21.1586 -21.1586 -21.0776 -21.0776 5.6883 5.6883 6.2461 6.2461 10.0929 10.0929 10.4179 10.4179 10.8428 10.8428 12.7186 12.7186 13.5990 13.5990 13.6269 13.6269 13.9686 13.9686 k = 0.3200 0.3200-0.0000 ( 3327 PWs) bands (ev): -45.0984 -45.0984 -45.0770 -45.0770 -21.8785 -21.8785 -21.8143 -21.8143 -21.2648 -21.2648 -21.1937 -21.1937 -21.1583 -21.1583 -21.0748 -21.0748 5.5968 5.5968 6.2805 6.2805 10.1309 10.1309 10.4441 10.4441 10.8751 10.8751 12.6837 12.6837 13.5343 13.5343 13.5795 13.5795 13.9186 13.9186 k = 0.3133 0.3133-0.0000 ( 3331 PWs) bands (ev): -45.1004 -45.1004 -45.0775 -45.0775 -21.8761 -21.8761 -21.8099 -21.8099 -21.2626 -21.2626 -21.1896 -21.1896 -21.1574 -21.1574 -21.0719 -21.0719 5.5052 5.5052 6.3159 6.3159 10.1671 10.1671 10.4651 10.4651 10.9086 10.9086 12.6559 12.6559 13.4699 13.4699 13.5332 13.5332 13.8697 13.8697 k = 0.3067 0.3067-0.0000 ( 3331 PWs) bands (ev): -45.1023 -45.1023 -45.0780 -45.0780 -21.8739 -21.8739 -21.8052 -21.8052 -21.2606 -21.2606 -21.1859 -21.1859 -21.1560 -21.1560 -21.0689 -21.0689 5.4134 5.4134 6.3523 6.3523 10.2011 10.2011 10.4806 10.4806 10.9433 10.9433 12.6355 12.6355 13.4066 13.4066 13.4876 13.4876 13.8224 13.8224 k = 0.3000 0.3000-0.0000 ( 3331 PWs) bands (ev): -45.1043 -45.1043 -45.0785 -45.0785 -21.8717 -21.8717 -21.8004 -21.8004 -21.2586 -21.2586 -21.1825 -21.1825 -21.1537 -21.1537 -21.0658 -21.0658 5.3218 5.3218 6.3896 6.3896 10.2323 10.2323 10.4904 10.4904 10.9791 10.9791 12.6226 12.6226 13.3448 13.3448 13.4425 13.4425 13.7772 13.7772 k = 0.2933 0.2933-0.0000 ( 3333 PWs) bands (ev): -45.1063 -45.1063 -45.0790 -45.0790 -21.8697 -21.8697 -21.7955 -21.7955 -21.2568 -21.2568 -21.1796 -21.1796 -21.1507 -21.1507 -21.0627 -21.0627 5.2302 5.2302 6.4277 6.4277 10.2605 10.2605 10.4944 10.4944 11.0160 11.0160 12.6171 12.6171 13.2848 13.2848 13.3981 13.3981 13.7344 13.7344 k = 0.2867 0.2867-0.0000 ( 3333 PWs) bands (ev): -45.1084 -45.1084 -45.0796 -45.0796 -21.8678 -21.8678 -21.7904 -21.7904 -21.2551 -21.2551 -21.1771 -21.1771 -21.1469 -21.1469 -21.0595 -21.0595 5.1390 5.1390 6.4667 6.4667 10.2850 10.2850 10.4928 10.4928 11.0539 11.0539 12.6190 12.6190 13.2267 13.2267 13.3543 13.3543 13.6946 13.6946 k = 0.2800 0.2800-0.0000 ( 3329 PWs) bands (ev): -45.1104 -45.1104 -45.0801 -45.0801 -21.8661 -21.8661 -21.7852 -21.7852 -21.2536 -21.2536 -21.1749 -21.1749 -21.1424 -21.1424 -21.0563 -21.0563 5.0482 5.0482 6.5065 6.5065 10.3056 10.3056 10.4858 10.4858 11.0930 11.0930 12.6279 12.6279 13.1705 13.1705 13.3112 13.3112 13.6585 13.6585 k = 0.2733 0.2733-0.0000 ( 3337 PWs) bands (ev): -45.1125 -45.1125 -45.0806 -45.0806 -21.8644 -21.8644 -21.7799 -21.7799 -21.2523 -21.2523 -21.1728 -21.1728 -21.1374 -21.1374 -21.0531 -21.0531 4.9579 4.9579 6.5470 6.5470 10.3217 10.3217 10.4737 10.4737 11.1330 11.1330 12.6433 12.6433 13.1162 13.1162 13.2688 13.2688 13.6266 13.6266 k = 0.2667 0.2667-0.0000 ( 3337 PWs) bands (ev): -45.1146 -45.1146 -45.0812 -45.0812 -21.8629 -21.8629 -21.7746 -21.7746 -21.2511 -21.2511 -21.1708 -21.1708 -21.1320 -21.1320 -21.0497 -21.0497 4.8682 4.8682 6.5883 6.5883 10.3330 10.3330 10.4570 10.4570 11.1739 11.1739 12.6646 12.6646 13.0636 13.0636 13.2273 13.2273 13.5995 13.5995 k = 0.2600 0.2600-0.0000 ( 3337 PWs) bands (ev): -45.1167 -45.1167 -45.0817 -45.0817 -21.8615 -21.8615 -21.7691 -21.7691 -21.2502 -21.2502 -21.1686 -21.1686 -21.1263 -21.1263 -21.0464 -21.0464 4.7793 4.7793 6.6302 6.6302 10.3393 10.3393 10.4361 10.4361 11.2157 11.2157 12.6911 12.6911 13.0128 13.0128 13.1867 13.1867 13.5777 13.5777 k = 0.2533 0.2533-0.0000 ( 3337 PWs) bands (ev): -45.1188 -45.1188 -45.0823 -45.0823 -21.8603 -21.8603 -21.7637 -21.7637 -21.2494 -21.2494 -21.1664 -21.1664 -21.1204 -21.1204 -21.0430 -21.0430 4.6912 4.6912 6.6727 6.6727 10.3404 10.3404 10.4118 10.4118 11.2584 11.2584 12.7223 12.7223 12.9634 12.9634 13.1469 13.1469 13.5619 13.5619 k = 0.2467 0.2467-0.0000 ( 3333 PWs) bands (ev): -45.1209 -45.1209 -45.0828 -45.0828 -21.8591 -21.8591 -21.7581 -21.7581 -21.2488 -21.2488 -21.1640 -21.1640 -21.1143 -21.1143 -21.0397 -21.0397 4.6041 4.6041 6.7157 6.7157 10.3361 10.3361 10.3844 10.3844 11.3018 11.3018 12.7570 12.7570 12.9154 12.9154 13.1082 13.1082 13.5523 13.5523 k = 0.2400 0.2400-0.0000 ( 3329 PWs) bands (ev): -45.1230 -45.1230 -45.0834 -45.0834 -21.8581 -21.8581 -21.7526 -21.7526 -21.2484 -21.2484 -21.1614 -21.1614 -21.1081 -21.1081 -21.0363 -21.0363 4.5180 4.5180 6.7593 6.7593 10.3265 10.3265 10.3546 10.3546 11.3459 11.3459 12.7936 12.7936 12.8700 12.8700 13.0704 13.0704 13.5492 13.5492 k = 0.2333 0.2333-0.0000 ( 3329 PWs) bands (ev): -45.1251 -45.1251 -45.0839 -45.0839 -21.8572 -21.8572 -21.7471 -21.7471 -21.2481 -21.2481 -21.1587 -21.1587 -21.1017 -21.1017 -21.0329 -21.0329 4.4330 4.4330 6.8032 6.8032 10.3112 10.3112 10.3234 10.3234 11.3906 11.3906 12.8092 12.8092 12.8488 12.8488 13.0338 13.0338 13.5527 13.5527 k = 0.2267 0.2267-0.0000 ( 3325 PWs) bands (ev): -45.1272 -45.1272 -45.0845 -45.0845 -21.8565 -21.8565 -21.7416 -21.7416 -21.2479 -21.2479 -21.1558 -21.1558 -21.0953 -21.0953 -21.0295 -21.0295 4.3493 4.3493 6.8476 6.8476 10.2862 10.2862 10.2954 10.2954 11.4359 11.4359 12.7703 12.7703 12.8843 12.8843 12.9988 12.9988 13.5628 13.5628 k = 0.2200 0.2200-0.0000 ( 3321 PWs) bands (ev): -45.1293 -45.1293 -45.0850 -45.0850 -21.8558 -21.8558 -21.7361 -21.7361 -21.2478 -21.2478 -21.1528 -21.1528 -21.0889 -21.0889 -21.0261 -21.0261 4.2670 4.2670 6.8923 6.8923 10.2526 10.2526 10.2702 10.2702 11.4815 11.4815 12.7260 12.7260 12.9242 12.9242 12.9680 12.9680 13.5791 13.5791 k = 0.2133 0.2133-0.0000 ( 3325 PWs) bands (ev): -45.1313 -45.1313 -45.0856 -45.0856 -21.8553 -21.8553 -21.7306 -21.7306 -21.2477 -21.2477 -21.1496 -21.1496 -21.0824 -21.0824 -21.0227 -21.0227 4.1861 4.1861 6.9372 6.9372 10.2172 10.2172 10.2417 10.2417 11.5275 11.5275 12.6815 12.6815 12.9236 12.9236 12.9805 12.9805 13.6014 13.6014 k = 0.2067 0.2067-0.0000 ( 3317 PWs) bands (ev): -45.1334 -45.1334 -45.0861 -45.0861 -21.8548 -21.8548 -21.7252 -21.7252 -21.2478 -21.2478 -21.1463 -21.1463 -21.0759 -21.0759 -21.0194 -21.0194 4.1067 4.1067 6.9823 6.9823 10.1812 10.1812 10.2096 10.2096 11.5737 11.5737 12.6375 12.6375 12.8935 12.8935 13.0242 13.0242 13.6292 13.6292 k = 0.2000 0.2000-0.0000 ( 3317 PWs) bands (ev): -45.1354 -45.1354 -45.0866 -45.0866 -21.8545 -21.8545 -21.7198 -21.7198 -21.2479 -21.2479 -21.1429 -21.1429 -21.0695 -21.0695 -21.0161 -21.0161 4.0289 4.0289 7.0275 7.0275 10.1448 10.1448 10.1743 10.1743 11.6199 11.6199 12.5940 12.5940 12.8625 12.8625 13.0698 13.0698 13.6619 13.6619 k = 0.1933 0.1933-0.0000 ( 3315 PWs) bands (ev): -45.1374 -45.1374 -45.0872 -45.0872 -21.8542 -21.8542 -21.7145 -21.7145 -21.2480 -21.2480 -21.1394 -21.1394 -21.0630 -21.0630 -21.0128 -21.0128 3.9529 3.9529 7.0727 7.0727 10.1084 10.1084 10.1361 10.1361 11.6662 11.6662 12.5513 12.5513 12.8322 12.8322 13.1152 13.1152 13.6991 13.6991 k = 0.1867 0.1867-0.0000 ( 3319 PWs) bands (ev): -45.1393 -45.1393 -45.0877 -45.0877 -21.8541 -21.8541 -21.7093 -21.7093 -21.2481 -21.2481 -21.1359 -21.1359 -21.0567 -21.0567 -21.0095 -21.0095 3.8786 3.8786 7.1179 7.1179 10.0722 10.0722 10.0956 10.0956 11.7122 11.7122 12.5094 12.5094 12.8029 12.8029 13.1595 13.1595 13.7402 13.7402 k = 0.1800 0.1800-0.0000 ( 3323 PWs) bands (ev): -45.1413 -45.1413 -45.0882 -45.0882 -21.8540 -21.8540 -21.7042 -21.7042 -21.2483 -21.2483 -21.1324 -21.1324 -21.0503 -21.0503 -21.0063 -21.0063 3.8061 3.8061 7.1629 7.1629 10.0363 10.0363 10.0532 10.0532 11.7579 11.7579 12.4684 12.4684 12.7747 12.7747 13.2023 13.2023 13.7845 13.7845 k = 0.1733 0.1733-0.0000 ( 3325 PWs) bands (ev): -45.1431 -45.1431 -45.0887 -45.0887 -21.8541 -21.8541 -21.6992 -21.6992 -21.2484 -21.2484 -21.1288 -21.1288 -21.0441 -21.0441 -21.0032 -21.0032 3.7357 3.7357 7.2077 7.2077 10.0006 10.0006 10.0098 10.0098 11.8031 11.8031 12.4283 12.4283 12.7475 12.7475 13.2428 13.2428 13.8315 13.8315 k = 0.1667 0.1667-0.0000 ( 3321 PWs) bands (ev): -45.1450 -45.1450 -45.0892 -45.0892 -21.8542 -21.8542 -21.6943 -21.6943 -21.2486 -21.2486 -21.1252 -21.1252 -21.0380 -21.0380 -21.0001 -21.0001 3.6672 3.6672 7.2522 7.2522 9.9618 9.9618 9.9690 9.9690 11.8477 11.8477 12.3893 12.3893 12.7214 12.7214 13.2806 13.2806 13.8436 13.8436 k = 0.1600 0.1600-0.0000 ( 3317 PWs) bands (ev): -45.1468 -45.1468 -45.0897 -45.0897 -21.8543 -21.8543 -21.6895 -21.6895 -21.2487 -21.2487 -21.1217 -21.1217 -21.0319 -21.0319 -20.9970 -20.9970 3.6008 3.6008 7.2963 7.2963 9.9172 9.9172 9.9342 9.9342 11.8914 11.8914 12.3515 12.3515 12.6964 12.6964 13.3149 13.3149 13.8377 13.8377 k = 0.1533 0.1533-0.0000 ( 3317 PWs) bands (ev): -45.1486 -45.1486 -45.0901 -45.0901 -21.8546 -21.8546 -21.6849 -21.6849 -21.2488 -21.2488 -21.1181 -21.1181 -21.0260 -21.0260 -20.9940 -20.9940 3.5366 3.5366 7.3399 7.3399 9.8713 9.8713 9.9012 9.9012 11.9342 11.9342 12.3148 12.3148 12.6725 12.6725 13.3452 13.3452 13.8352 13.8352 k = 0.1467 0.1467-0.0000 ( 3311 PWs) bands (ev): -45.1503 -45.1503 -45.0906 -45.0906 -21.8549 -21.8549 -21.6804 -21.6804 -21.2489 -21.2489 -21.1147 -21.1147 -21.0203 -21.0203 -20.9911 -20.9911 3.4746 3.4746 7.3829 7.3829 9.8254 9.8254 9.8694 9.8694 11.9758 11.9758 12.2794 12.2794 12.6497 12.6497 13.3711 13.3711 13.8365 13.8365 k = 0.1400 0.1400-0.0000 ( 3313 PWs) bands (ev): -45.1519 -45.1519 -45.0910 -45.0910 -21.8552 -21.8552 -21.6760 -21.6760 -21.2489 -21.2489 -21.1112 -21.1112 -21.0147 -21.0147 -20.9883 -20.9883 3.4150 3.4150 7.4252 7.4252 9.7797 9.7797 9.8387 9.8387 12.0160 12.0160 12.2453 12.2453 12.6280 12.6280 13.3921 13.3921 13.8417 13.8417 k = 0.1333 0.1333-0.0000 ( 3313 PWs) bands (ev): -45.1535 -45.1535 -45.0915 -45.0915 -21.8556 -21.8556 -21.6718 -21.6718 -21.2490 -21.2490 -21.1079 -21.1079 -21.0093 -21.0093 -20.9855 -20.9855 3.3576 3.3576 7.4667 7.4667 9.7346 9.7346 9.8092 9.8092 12.0548 12.0548 12.2127 12.2127 12.6074 12.6074 13.4083 13.4083 13.8508 13.8508 k = 0.1267 0.1267-0.0000 ( 3313 PWs) bands (ev): -45.1550 -45.1550 -45.0919 -45.0919 -21.8560 -21.8560 -21.6678 -21.6678 -21.2490 -21.2490 -21.1046 -21.1046 -21.0041 -21.0041 -20.9828 -20.9828 3.3027 3.3027 7.5072 7.5072 9.6904 9.6904 9.7809 9.7809 12.0917 12.0917 12.1816 12.1816 12.5878 12.5878 13.4199 13.4199 13.8636 13.8636 k = 0.1200 0.1200-0.0000 ( 3317 PWs) bands (ev): -45.1565 -45.1565 -45.0923 -45.0923 -21.8564 -21.8564 -21.6639 -21.6639 -21.2490 -21.2490 -21.1015 -21.1015 -20.9991 -20.9991 -20.9802 -20.9802 3.2503 3.2503 7.5467 7.5467 9.6473 9.6473 9.7538 9.7538 12.1255 12.1255 12.1532 12.1532 12.5694 12.5694 13.4272 13.4272 13.8794 13.8794 k = 0.1133 0.1133-0.0000 ( 3315 PWs) bands (ev): -45.1579 -45.1579 -45.0927 -45.0927 -21.8569 -21.8569 -21.6602 -21.6602 -21.2490 -21.2490 -21.0984 -21.0984 -20.9943 -20.9943 -20.9776 -20.9776 3.2003 3.2003 7.5850 7.5850 9.6055 9.6055 9.7281 9.7281 12.1211 12.1211 12.1625 12.1625 12.5520 12.5520 13.4311 13.4311 13.8976 13.8976 k = 0.1067 0.1067-0.0000 ( 3319 PWs) bands (ev): -45.1593 -45.1593 -45.0930 -45.0930 -21.8574 -21.8574 -21.6567 -21.6567 -21.2489 -21.2489 -21.0954 -21.0954 -20.9898 -20.9898 -20.9750 -20.9750 3.1530 3.1530 7.6220 7.6220 9.5652 9.5652 9.7037 9.7037 12.0950 12.0950 12.1931 12.1931 12.5356 12.5356 13.4322 13.4322 13.9174 13.9174 k = 0.1000 0.1000-0.0000 ( 3319 PWs) bands (ev): -45.1605 -45.1605 -45.0934 -45.0934 -21.8579 -21.8579 -21.6534 -21.6534 -21.2488 -21.2488 -21.0926 -21.0926 -20.9856 -20.9856 -20.9725 -20.9725 3.1083 3.1083 7.6576 7.6576 9.5266 9.5266 9.6807 9.6807 12.0697 12.0697 12.2221 12.2221 12.5204 12.5204 13.4311 13.4311 13.9382 13.9382 k = 0.0933 0.0933-0.0000 ( 3315 PWs) bands (ev): -45.1617 -45.1617 -45.0937 -45.0937 -21.8584 -21.8584 -21.6502 -21.6502 -21.2487 -21.2487 -21.0900 -21.0900 -20.9818 -20.9818 -20.9701 -20.9701 3.0662 3.0662 7.6917 7.6917 9.4898 9.4898 9.6590 9.6590 12.0459 12.0459 12.2490 12.2490 12.5061 12.5061 13.4285 13.4285 13.9592 13.9592 k = 0.0867 0.0867-0.0000 ( 3311 PWs) bands (ev): -45.1629 -45.1629 -45.0940 -45.0940 -21.8589 -21.8589 -21.6473 -21.6473 -21.2487 -21.2487 -21.0874 -21.0874 -20.9783 -20.9783 -20.9676 -20.9676 3.0269 3.0269 7.7241 7.7241 9.4551 9.4551 9.6388 9.6388 12.0237 12.0237 12.2736 12.2736 12.4929 12.4929 13.4248 13.4248 13.9801 13.9801 k = 0.0800 0.0800-0.0000 ( 3319 PWs) bands (ev): -45.1639 -45.1639 -45.0943 -45.0943 -21.8594 -21.8594 -21.6445 -21.6445 -21.2485 -21.2485 -21.0851 -21.0851 -20.9752 -20.9752 -20.9651 -20.9651 2.9903 2.9903 7.7547 7.7547 9.4224 9.4224 9.6200 9.6200 12.0030 12.0030 12.2960 12.2960 12.4808 12.4808 13.4203 13.4203 14.0004 14.0004 k = 0.0733 0.0733-0.0000 ( 3311 PWs) bands (ev): -45.1649 -45.1649 -45.0945 -45.0945 -21.8599 -21.8599 -21.6420 -21.6420 -21.2484 -21.2484 -21.0828 -21.0828 -20.9725 -20.9725 -20.9627 -20.9627 2.9565 2.9565 7.7835 7.7835 9.3920 9.3920 9.6027 9.6027 11.9839 11.9839 12.3161 12.3161 12.4697 12.4697 13.4155 13.4155 14.0198 14.0198 k = 0.0667 0.0667-0.0000 ( 3303 PWs) bands (ev): -45.1658 -45.1658 -45.0948 -45.0948 -21.8603 -21.8603 -21.6397 -21.6397 -21.2483 -21.2483 -21.0808 -21.0808 -20.9701 -20.9701 -20.9602 -20.9602 2.9256 2.9256 7.8102 7.8102 9.3639 9.3639 9.5868 9.5868 11.9664 11.9664 12.3339 12.3339 12.4596 12.4596 13.4106 13.4106 14.0380 14.0380 k = 0.0600 0.0600-0.0000 ( 3309 PWs) bands (ev): -45.1666 -45.1666 -45.0950 -45.0950 -21.8607 -21.8607 -21.6375 -21.6375 -21.2482 -21.2482 -21.0789 -21.0789 -20.9681 -20.9681 -20.9579 -20.9579 2.8975 2.8975 7.8347 7.8347 9.3382 9.3382 9.5724 9.5724 11.9505 11.9505 12.3495 12.3495 12.4505 12.4505 13.4057 13.4057 14.0549 14.0549 k = 0.0533 0.0533-0.0000 ( 3301 PWs) bands (ev): -45.1674 -45.1674 -45.0952 -45.0952 -21.8611 -21.8611 -21.6356 -21.6356 -21.2481 -21.2481 -21.0772 -21.0772 -20.9664 -20.9664 -20.9557 -20.9557 2.8722 2.8722 7.8570 7.8570 9.3151 9.3151 9.5595 9.5595 11.9363 11.9363 12.3629 12.3629 12.4425 12.4425 13.4010 13.4010 14.0703 14.0703 k = 0.0467 0.0467-0.0000 ( 3297 PWs) bands (ev): -45.1680 -45.1680 -45.0954 -45.0954 -21.8615 -21.8615 -21.6340 -21.6340 -21.2480 -21.2480 -21.0757 -21.0757 -20.9650 -20.9650 -20.9536 -20.9536 2.8499 2.8499 7.8770 7.8770 9.2945 9.2945 9.5481 9.5481 11.9237 11.9237 12.3743 12.3743 12.4356 12.4356 13.3967 13.3967 14.0841 14.0841 k = 0.0400 0.0400-0.0000 ( 3297 PWs) bands (ev): -45.1686 -45.1686 -45.0955 -45.0955 -21.8618 -21.8618 -21.6325 -21.6325 -21.2479 -21.2479 -21.0744 -21.0744 -20.9638 -20.9638 -20.9518 -20.9518 2.8305 2.8305 7.8945 7.8945 9.2765 9.2765 9.5382 9.5382 11.9128 11.9128 12.3836 12.3836 12.4298 12.4298 13.3928 13.3928 14.0962 14.0962 k = 0.0333 0.0333-0.0000 ( 3299 PWs) bands (ev): -45.1691 -45.1691 -45.0956 -45.0956 -21.8621 -21.8621 -21.6312 -21.6312 -21.2478 -21.2478 -21.0733 -21.0733 -20.9627 -20.9627 -20.9502 -20.9502 2.8141 2.8141 7.9095 7.9095 9.2612 9.2612 9.5299 9.5299 11.9036 11.9036 12.3910 12.3910 12.4252 12.4252 13.3893 13.3893 14.1065 14.1065 k = 0.0267 0.0267-0.0000 ( 3295 PWs) bands (ev): -45.1694 -45.1694 -45.0958 -45.0958 -21.8623 -21.8623 -21.6302 -21.6302 -21.2478 -21.2478 -21.0724 -21.0724 -20.9619 -20.9619 -20.9489 -20.9489 2.8006 2.8006 7.9218 7.9218 9.2486 9.2486 9.5230 9.5230 11.8960 11.8960 12.3963 12.3963 12.4220 12.4220 13.3864 13.3864 14.1150 14.1150 k = 0.0200 0.0200-0.0000 ( 3299 PWs) bands (ev): -45.1698 -45.1698 -45.0958 -45.0958 -21.8625 -21.8625 -21.6294 -21.6294 -21.2477 -21.2477 -21.0717 -21.0717 -20.9613 -20.9613 -20.9479 -20.9479 2.7901 2.7901 7.9315 7.9315 9.2388 9.2388 9.5176 9.5176 11.8901 11.8901 12.3996 12.3996 12.4202 12.4202 13.3842 13.3842 14.1217 14.1217 k = 0.0133 0.0133-0.0000 ( 3295 PWs) bands (ev): -45.1700 -45.1700 -45.0959 -45.0959 -21.8626 -21.8626 -21.6289 -21.6289 -21.2477 -21.2477 -21.0712 -21.0712 -20.9609 -20.9609 -20.9471 -20.9471 2.7826 2.7826 7.9385 7.9385 9.2318 9.2318 9.5138 9.5138 11.8859 11.8859 12.4013 12.4013 12.4196 12.4196 13.3825 13.3825 14.1265 14.1265 k = 0.0067 0.0067-0.0000 ( 3297 PWs) bands (ev): -45.1701 -45.1701 -45.0959 -45.0959 -21.8627 -21.8627 -21.6285 -21.6285 -21.2476 -21.2476 -21.0708 -21.0708 -20.9606 -20.9606 -20.9467 -20.9467 2.7781 2.7781 7.9426 7.9426 9.2276 9.2276 9.5115 9.5115 11.8834 11.8834 12.4018 12.4018 12.4196 12.4196 13.3815 13.3815 14.1293 14.1293 k = 0.0000 0.0000 0.0000 ( 3301 PWs) bands (ev): -45.1702 -45.1702 -45.0959 -45.0959 -21.8627 -21.8627 -21.6284 -21.6284 -21.2476 -21.2476 -21.0707 -21.0707 -20.9605 -20.9605 -20.9465 -20.9465 2.7766 2.7766 7.9440 7.9440 9.2262 9.2262 9.5108 9.5108 11.8825 11.8825 12.4019 12.4019 12.4197 12.4197 13.3812 13.3812 14.1303 14.1303 k = 0.0000 0.0000 0.0000 ( 3301 PWs) bands (ev): -45.1702 -45.1702 -45.0959 -45.0959 -21.8627 -21.8627 -21.6284 -21.6284 -21.2476 -21.2476 -21.0707 -21.0707 -20.9605 -20.9605 -20.9465 -20.9465 2.7766 2.7766 7.9440 7.9440 9.2262 9.2262 9.5108 9.5108 11.8825 11.8825 12.4019 12.4019 12.4197 12.4197 13.3812 13.3812 14.1303 14.1303 k = 0.0000 0.0000 0.0092 ( 3297 PWs) bands (ev): -45.1701 -45.1701 -45.0960 -45.0960 -21.8626 -21.8626 -21.6285 -21.6285 -21.2475 -21.2475 -21.0707 -21.0707 -20.9607 -20.9607 -20.9466 -20.9466 2.7782 2.7782 7.9344 7.9344 9.2343 9.2343 9.5118 9.5118 11.8819 11.8819 12.4027 12.4027 12.4205 12.4205 13.3797 13.3797 14.1306 14.1306 k = 0.0000 0.0000 0.0185 ( 3301 PWs) bands (ev): -45.1700 -45.1700 -45.0961 -45.0961 -21.8622 -21.8622 -21.6288 -21.6288 -21.2472 -21.2472 -21.0706 -21.0706 -20.9611 -20.9611 -20.9468 -20.9468 2.7830 2.7830 7.9063 7.9063 9.2580 9.2580 9.5148 9.5148 11.8800 11.8800 12.4051 12.4051 12.4229 12.4229 13.3752 13.3752 14.1315 14.1315 k = 0.0000 0.0000 0.0277 ( 3301 PWs) bands (ev): -45.1698 -45.1698 -45.0963 -45.0963 -21.8616 -21.8616 -21.6293 -21.6293 -21.2466 -21.2466 -21.0704 -21.0704 -20.9618 -20.9618 -20.9470 -20.9470 2.7909 2.7909 7.8616 7.8616 9.2953 9.2953 9.5199 9.5199 11.8768 11.8768 12.4091 12.4091 12.4269 12.4269 13.3677 13.3677 14.1329 14.1329 k = 0.0000 0.0000 0.0370 ( 3285 PWs) bands (ev): -45.1696 -45.1696 -45.0965 -45.0965 -21.8607 -21.8607 -21.6301 -21.6301 -21.2458 -21.2458 -21.0701 -21.0701 -20.9628 -20.9628 -20.9474 -20.9474 2.8020 2.8020 7.8029 7.8029 9.3438 9.3438 9.5270 9.5270 11.8723 11.8723 12.4147 12.4147 12.4325 12.4325 13.3573 13.3573 14.1350 14.1350 k = 0.0000 0.0000 0.0462 ( 3285 PWs) bands (ev): -45.1692 -45.1692 -45.0969 -45.0969 -21.8595 -21.8595 -21.6310 -21.6310 -21.2448 -21.2448 -21.0698 -21.0698 -20.9641 -20.9641 -20.9479 -20.9479 2.8162 2.8162 7.7326 7.7326 9.4009 9.4009 9.5361 9.5361 11.8664 11.8664 12.4219 12.4219 12.4397 12.4397 13.3439 13.3439 14.1376 14.1376 k = 0.0000 0.0000 0.0555 ( 3285 PWs) bands (ev): -45.1688 -45.1688 -45.0973 -45.0973 -21.8581 -21.8581 -21.6322 -21.6322 -21.2435 -21.2435 -21.0694 -21.0694 -20.9656 -20.9656 -20.9485 -20.9485 2.8336 2.8336 7.6532 7.6532 9.4645 9.4645 9.5472 9.5472 11.8591 11.8591 12.4307 12.4307 12.4486 12.4486 13.3276 13.3276 14.1408 14.1408 k = 0.0000 0.0000 0.0647 ( 3285 PWs) bands (ev): -45.1683 -45.1683 -45.0978 -45.0978 -21.8564 -21.8564 -21.6335 -21.6335 -21.2420 -21.2420 -21.0690 -21.0690 -20.9674 -20.9674 -20.9492 -20.9492 2.8542 2.8542 7.5664 7.5664 9.5327 9.5327 9.5603 9.5603 11.8502 11.8502 12.4410 12.4410 12.4590 12.4590 13.3084 13.3084 14.1446 14.1446 k = 0.0000 0.0000 0.0740 ( 3285 PWs) bands (ev): -45.1678 -45.1678 -45.0983 -45.0983 -21.8545 -21.8545 -21.6351 -21.6351 -21.2403 -21.2403 -21.0685 -21.0685 -20.9694 -20.9694 -20.9500 -20.9500 2.8778 2.8778 7.4738 7.4738 9.5753 9.5753 9.6041 9.6041 11.8397 11.8397 12.4529 12.4529 12.4709 12.4709 13.2863 13.2863 14.1490 14.1490 k = 0.0000 0.0000 0.0832 ( 3293 PWs) bands (ev): -45.1672 -45.1672 -45.0989 -45.0989 -21.8524 -21.8524 -21.6368 -21.6368 -21.2384 -21.2384 -21.0679 -21.0679 -20.9717 -20.9717 -20.9509 -20.9509 2.9046 2.9046 7.3767 7.3767 9.5923 9.5923 9.6777 9.6777 11.8277 11.8277 12.4664 12.4664 12.4845 12.4845 13.2615 13.2615 14.1539 14.1539 k = 0.0000 0.0000 0.0925 ( 3293 PWs) bands (ev): -45.1665 -45.1665 -45.0996 -45.0996 -21.8500 -21.8500 -21.6388 -21.6388 -21.2362 -21.2362 -21.0674 -21.0674 -20.9742 -20.9742 -20.9520 -20.9520 2.9344 2.9344 7.2758 7.2758 9.6113 9.6113 9.7525 9.7525 11.8139 11.8139 12.4814 12.4814 12.4996 12.4996 13.2339 13.2339 14.1593 14.1593 k = 0.0000 0.0000 0.1017 ( 3285 PWs) bands (ev): -45.1657 -45.1657 -45.1004 -45.1004 -21.8474 -21.8474 -21.6409 -21.6409 -21.2339 -21.2339 -21.0668 -21.0668 -20.9769 -20.9769 -20.9531 -20.9531 2.9673 2.9673 7.1720 7.1720 9.6321 9.6321 9.8280 9.8280 11.7984 11.7984 12.4979 12.4979 12.5162 12.5162 13.2035 13.2035 14.1653 14.1653 k = 0.0000 0.0000 0.1109 ( 3277 PWs) bands (ev): -45.1649 -45.1649 -45.1012 -45.1012 -21.8446 -21.8446 -21.6433 -21.6433 -21.2313 -21.2313 -21.0662 -21.0662 -20.9797 -20.9797 -20.9543 -20.9543 3.0032 3.0032 7.0658 7.0658 9.6549 9.6549 9.9036 9.9036 11.7812 11.7812 12.5159 12.5159 12.5343 12.5343 13.1706 13.1706 14.1718 14.1718 k = 0.0000 0.0000 0.1202 ( 3281 PWs) bands (ev): -45.1640 -45.1640 -45.1021 -45.1021 -21.8415 -21.8415 -21.6458 -21.6458 -21.2285 -21.2285 -21.0656 -21.0656 -20.9827 -20.9827 -20.9556 -20.9556 3.0422 3.0422 6.9578 6.9578 9.6794 9.6794 9.9791 9.9791 11.7623 11.7623 12.5355 12.5355 12.5540 12.5540 13.1351 13.1351 14.1789 14.1789 k = 0.0000 0.0000 0.1294 ( 3289 PWs) bands (ev): -45.1631 -45.1631 -45.1031 -45.1031 -21.8383 -21.8383 -21.6485 -21.6485 -21.2255 -21.2255 -21.0651 -21.0651 -20.9858 -20.9858 -20.9570 -20.9570 3.0841 3.0841 6.8483 6.8483 9.7058 9.7058 10.0539 10.0539 11.7419 11.7419 12.5564 12.5564 12.5751 12.5751 13.0971 13.0971 14.1864 14.1864 k = 0.0000 0.0000 0.1387 ( 3289 PWs) bands (ev): -45.1621 -45.1621 -45.1041 -45.1041 -21.8348 -21.8348 -21.6515 -21.6515 -21.2223 -21.2223 -21.0647 -21.0647 -20.9890 -20.9890 -20.9584 -20.9584 3.1290 3.1290 6.7376 6.7376 9.7340 9.7340 10.1279 10.1279 11.7199 11.7199 12.5788 12.5788 12.5977 12.5977 13.0567 13.0567 14.1944 14.1944 k = 0.0000 0.0000 0.1479 ( 3289 PWs) bands (ev): -45.1610 -45.1610 -45.1051 -45.1051 -21.8312 -21.8312 -21.6545 -21.6545 -21.2189 -21.2189 -21.0644 -21.0644 -20.9921 -20.9921 -20.9600 -20.9600 3.1768 3.1768 6.6261 6.6261 9.7639 9.7639 10.2007 10.2007 11.6966 11.6966 12.6026 12.6026 12.6218 12.6218 13.0140 13.0140 14.2029 14.2029 k = 0.0000 0.0000 0.1572 ( 3301 PWs) bands (ev): -45.1599 -45.1599 -45.1063 -45.1063 -21.8273 -21.8273 -21.6578 -21.6578 -21.2153 -21.2153 -21.0642 -21.0642 -20.9953 -20.9953 -20.9616 -20.9616 3.2276 3.2276 6.5140 6.5140 9.7955 9.7955 10.2720 10.2720 11.6723 11.6723 12.6277 12.6277 12.6472 12.6472 12.9692 12.9692 14.2119 14.2119 k = 0.0000 0.0000 0.1664 ( 3301 PWs) bands (ev): -45.1587 -45.1587 -45.1074 -45.1074 -21.8233 -21.8233 -21.6612 -21.6612 -21.2116 -21.2116 -21.0643 -21.0643 -20.9983 -20.9983 -20.9634 -20.9634 3.2811 3.2811 6.4016 6.4016 9.8287 9.8287 10.3414 10.3414 11.6473 11.6473 12.6540 12.6540 12.6740 12.6740 12.9223 12.9223 14.2213 14.2213 k = 0.0000 0.0000 0.1757 ( 3301 PWs) bands (ev): -45.1575 -45.1575 -45.1087 -45.1087 -21.8192 -21.8192 -21.6648 -21.6648 -21.2076 -21.2076 -21.0647 -21.0647 -21.0012 -21.0012 -20.9651 -20.9651 3.3375 3.3375 6.2889 6.2889 9.8636 9.8636 10.4084 10.4084 11.6222 11.6222 12.6813 12.6813 12.7020 12.7020 12.8737 12.8737 14.2305 14.2307 k = 0.0000 0.0000 0.1849 ( 3301 PWs) bands (ev): -45.1562 -45.1562 -45.1100 -45.1100 -21.8149 -21.8149 -21.6686 -21.6686 -21.2034 -21.2034 -21.0654 -21.0654 -21.0037 -21.0037 -20.9670 -20.9670 3.3967 3.3967 6.1763 6.1763 9.8999 9.8999 10.4726 10.4726 11.5976 11.5976 12.7088 12.7088 12.7314 12.7314 12.8243 12.8243 14.1879 14.1880 k = 0.0000 0.0000 0.1941 ( 3301 PWs) bands (ev): -45.1549 -45.1549 -45.1113 -45.1113 -21.8104 -21.8104 -21.6725 -21.6725 -21.1991 -21.1991 -21.0666 -21.0666 -21.0060 -21.0060 -20.9689 -20.9689 3.4587 3.4587 6.0640 6.0640 9.9377 9.9377 10.5331 10.5331 11.5743 11.5743 12.7302 12.7302 12.7619 12.7619 12.7802 12.7802 14.1379 14.1380 k = 0.0000 0.0000 0.2034 ( 3301 PWs) bands (ev): -45.1535 -45.1535 -45.1127 -45.1127 -21.8058 -21.8058 -21.6765 -21.6765 -21.1947 -21.1947 -21.0683 -21.0683 -21.0078 -21.0078 -20.9709 -20.9709 3.5233 3.5233 5.9519 5.9519 9.9769 9.9769 10.5890 10.5890 11.5534 11.5534 12.7049 12.7049 12.7824 12.7824 12.7936 12.7936 14.0875 14.0875 k = 0.0000 0.0000 0.2126 ( 3301 PWs) bands (ev): -45.1521 -45.1521 -45.1141 -45.1141 -21.8011 -21.8011 -21.6807 -21.6807 -21.1900 -21.1900 -21.0705 -21.0705 -21.0092 -21.0092 -20.9729 -20.9729 3.5905 3.5905 5.8404 5.8404 10.0173 10.0173 10.6391 10.6391 11.5362 11.5362 12.6522 12.6522 12.8112 12.8112 12.8263 12.8263 14.0369 14.0369 k = 0.0000 0.0000 0.2219 ( 3313 PWs) bands (ev): -45.1507 -45.1507 -45.1155 -45.1155 -21.7963 -21.7963 -21.6851 -21.6851 -21.1852 -21.1852 -21.0732 -21.0732 -21.0101 -21.0101 -20.9749 -20.9749 3.6604 3.6604 5.7295 5.7295 10.0590 10.0590 10.6819 10.6819 11.5244 11.5244 12.5954 12.5954 12.8437 12.8437 12.8599 12.8599 13.9865 13.9865 k = 0.0000 0.0000 0.2311 ( 3313 PWs) bands (ev): -45.1492 -45.1492 -45.1170 -45.1170 -21.7913 -21.7913 -21.6895 -21.6895 -21.1803 -21.1803 -21.0764 -21.0764 -21.0105 -21.0105 -20.9770 -20.9770 3.7328 3.7328 5.6194 5.6194 10.1018 10.1018 10.7160 10.7160 11.5196 11.5196 12.5367 12.5367 12.8776 12.8776 12.8942 12.8942 13.9365 13.9365 k = 0.0000 0.0000 0.2404 ( 3305 PWs) bands (ev): -45.1477 -45.1477 -45.1185 -45.1185 -21.7863 -21.7863 -21.6941 -21.6941 -21.1753 -21.1753 -21.0802 -21.0802 -21.0105 -21.0105 -20.9791 -20.9791 3.8078 3.8078 5.5102 5.5102 10.1455 10.1455 10.7398 10.7398 11.5234 11.5234 12.4765 12.4765 12.9124 12.9124 12.9291 12.9291 13.8871 13.8871 k = 0.0000 0.0000 0.2496 ( 3296 PWs) bands (ev): -45.1462 -45.1462 -45.1201 -45.1201 -21.7813 -21.7813 -21.6988 -21.6988 -21.1701 -21.1701 -21.0843 -21.0843 -21.0101 -21.0101 -20.9813 -20.9813 3.8851 3.8851 5.4019 5.4019 10.1901 10.1901 10.7526 10.7526 11.5367 11.5367 12.4151 12.4151 12.9476 12.9476 12.9643 12.9643 13.8388 13.8388 k = 0.0000 0.0000 0.2589 ( 3304 PWs) bands (ev): -45.1446 -45.1446 -45.1217 -45.1217 -21.7761 -21.7761 -21.7036 -21.7036 -21.1648 -21.1648 -21.0888 -21.0888 -21.0094 -21.0094 -20.9835 -20.9835 3.9649 3.9649 5.2948 5.2948 10.2354 10.2354 10.7541 10.7541 11.5600 11.5600 12.3528 12.3528 12.9830 12.9830 12.9994 12.9994 13.7919 13.7919 k = 0.0000 0.0000 0.2681 ( 3312 PWs) bands (ev): -45.1430 -45.1430 -45.1233 -45.1233 -21.7709 -21.7709 -21.7085 -21.7085 -21.1594 -21.1594 -21.0936 -21.0936 -21.0084 -21.0084 -20.9856 -20.9856 4.0470 4.0470 5.1890 5.1890 10.2812 10.2812 10.7453 10.7453 11.5924 11.5924 12.2897 12.2897 13.0181 13.0181 13.0339 13.0339 13.7471 13.7471 k = 0.0000 0.0000 0.2774 ( 3316 PWs) bands (ev): -45.1414 -45.1414 -45.1249 -45.1249 -21.7657 -21.7657 -21.7134 -21.7134 -21.1540 -21.1540 -21.0986 -21.0986 -21.0071 -21.0071 -20.9878 -20.9878 4.1313 4.1313 5.0844 5.0844 10.3274 10.3274 10.7275 10.7275 11.6329 11.6329 12.2260 12.2260 13.0522 13.0522 13.0671 13.0671 13.7051 13.7051 k = 0.0000 0.0000 0.2866 ( 3312 PWs) bands (ev): -45.1398 -45.1398 -45.1265 -45.1265 -21.7604 -21.7604 -21.7185 -21.7185 -21.1484 -21.1484 -21.1039 -21.1039 -21.0056 -21.0056 -20.9900 -20.9900 4.2179 4.2179 4.9813 4.9813 10.3737 10.3737 10.7022 10.7022 11.6799 11.6799 12.1620 12.1620 13.0844 13.0844 13.0979 13.0979 13.6670 13.6670 k = 0.0000 0.0000 0.2958 ( 3312 PWs) bands (ev): -45.1381 -45.1381 -45.1281 -45.1281 -21.7551 -21.7551 -21.7236 -21.7236 -21.1429 -21.1429 -21.1093 -21.1093 -21.0040 -21.0040 -20.9922 -20.9922 4.3066 4.3066 4.8797 4.8797 10.4199 10.4199 10.6710 10.6710 11.7321 11.7321 12.0979 12.0979 13.1134 13.1134 13.1249 13.1249 13.6345 13.6345 k = 0.0000 0.0000 0.3051 ( 3320 PWs) bands (ev): -45.1365 -45.1365 -45.1298 -45.1298 -21.7498 -21.7498 -21.7288 -21.7288 -21.1372 -21.1372 -21.1147 -21.1147 -21.0022 -21.0022 -20.9943 -20.9943 4.3973 4.3973 4.7797 4.7797 10.4656 10.4656 10.6352 10.6352 11.7882 11.7882 12.0340 12.0340 13.1374 13.1374 13.1459 13.1459 13.6094 13.6094 k = 0.0000 0.0000 0.3143 ( 3308 PWs) bands (ev): -45.1348 -45.1348 -45.1315 -45.1315 -21.7445 -21.7445 -21.7340 -21.7340 -21.1316 -21.1316 -21.1203 -21.1203 -21.0004 -21.0004 -20.9964 -20.9964 4.4901 4.4901 4.6814 4.6814 10.5106 10.5106 10.5960 10.5960 11.8471 11.8471 11.9706 11.9706 13.1543 13.1543 13.1589 13.1589 13.5941 13.5941 k = 0.0000 0.0000 0.3236 ( 3304 PWs) bands (ev): -45.1331 -45.1331 -45.1331 -45.1331 -21.7392 -21.7392 -21.7392 -21.7392 -21.1259 -21.1259 -21.1259 -21.1259 -20.9984 -20.9984 -20.9984 -20.9984 4.5848 4.5848 4.5848 4.5848 10.5542 10.5542 10.5542 10.5542 11.9081 11.9081 11.9081 11.9081 13.1618 13.1618 13.1618 13.1618 13.5905 13.5905 k = 0.0000 0.0000 0.3236 ( 3304 PWs) bands (ev): -45.1331 -45.1331 -45.1331 -45.1331 -21.7392 -21.7392 -21.7392 -21.7392 -21.1259 -21.1259 -21.1259 -21.1259 -20.9984 -20.9984 -20.9984 -20.9984 4.5848 4.5848 4.5848 4.5848 10.5542 10.5542 10.5542 10.5542 11.9081 11.9081 11.9081 11.9081 13.1618 13.1618 13.1618 13.1618 13.5905 13.5905 k = 0.0000 0.0094 0.3236 ( 3306 PWs) bands (ev): -45.1331 -45.1331 -45.1331 -45.1331 -21.7398 -21.7398 -21.7388 -21.7388 -21.1276 -21.1276 -21.1244 -21.1244 -20.9995 -20.9995 -20.9974 -20.9974 4.5850 4.5850 4.5865 4.5865 10.5543 10.5543 10.5549 10.5549 11.9068 11.9068 11.9081 11.9081 13.1612 13.1612 13.1641 13.1641 13.5898 13.5898 k = 0.0000 0.0189 0.3236 ( 3310 PWs) bands (ev): -45.1330 -45.1330 -45.1330 -45.1330 -21.7405 -21.7405 -21.7385 -21.7385 -21.1293 -21.1293 -21.1231 -21.1231 -21.0008 -21.0008 -20.9966 -20.9966 4.5858 4.5858 4.5913 4.5913 10.5546 10.5546 10.5569 10.5569 11.9030 11.9030 11.9077 11.9077 13.1593 13.1593 13.1706 13.1706 13.5875 13.5875 k = 0.0000 0.0283 0.3236 ( 3314 PWs) bands (ev): -45.1329 -45.1329 -45.1329 -45.1329 -21.7414 -21.7414 -21.7384 -21.7384 -21.1312 -21.1312 -21.1218 -21.1218 -21.0022 -21.0022 -20.9959 -20.9959 4.5872 4.5872 4.5993 4.5993 10.5551 10.5551 10.5602 10.5602 11.8968 11.8968 11.9072 11.9072 13.1562 13.1562 13.1812 13.1812 13.5838 13.5838 k = 0.0000 0.0377 0.3236 ( 3310 PWs) bands (ev): -45.1327 -45.1327 -45.1326 -45.1326 -21.7424 -21.7424 -21.7384 -21.7384 -21.1332 -21.1332 -21.1207 -21.1207 -21.0038 -21.0038 -20.9954 -20.9954 4.5890 4.5890 4.6105 4.6105 10.5557 10.5557 10.5648 10.5648 11.8884 11.8884 11.9064 11.9064 13.1518 13.1518 13.1958 13.1958 13.5786 13.5786 k = 0.0000 0.0472 0.3236 ( 3316 PWs) bands (ev): -45.1325 -45.1325 -45.1324 -45.1324 -21.7435 -21.7435 -21.7385 -21.7385 -21.1354 -21.1354 -21.1197 -21.1197 -21.0056 -21.0056 -20.9949 -20.9949 4.5913 4.5913 4.6249 4.6249 10.5564 10.5564 10.5708 10.5708 11.8781 11.8781 11.9054 11.9054 13.1462 13.1462 13.2142 13.2142 13.5719 13.5719 k = 0.0000 0.0566 0.3236 ( 3314 PWs) bands (ev): -45.1322 -45.1322 -45.1321 -45.1321 -21.7449 -21.7449 -21.7388 -21.7388 -21.1377 -21.1377 -21.1188 -21.1188 -21.0075 -21.0075 -20.9946 -20.9946 4.5941 4.5941 4.6424 4.6424 10.5572 10.5572 10.5780 10.5780 11.8662 11.8662 11.9040 11.9040 13.1394 13.1394 13.2361 13.2361 13.5638 13.5638 k = 0.0000 0.0660 0.3236 ( 3318 PWs) bands (ev): -45.1319 -45.1319 -45.1317 -45.1317 -21.7464 -21.7464 -21.7392 -21.7392 -21.1401 -21.1401 -21.1181 -21.1181 -21.0095 -21.0095 -20.9943 -20.9943 4.5974 4.5974 4.6630 4.6630 10.5580 10.5580 10.5865 10.5865 11.8530 11.8530 11.9025 11.9025 13.1314 13.1314 13.2611 13.2611 13.5543 13.5543 k = 0.0000 0.0755 0.3236 ( 3322 PWs) bands (ev): -45.1315 -45.1315 -45.1312 -45.1312 -21.7480 -21.7480 -21.7398 -21.7398 -21.1427 -21.1427 -21.1175 -21.1175 -21.0117 -21.0117 -20.9941 -20.9941 4.6010 4.6010 4.6867 4.6867 10.5586 10.5586 10.5962 10.5962 11.8389 11.8389 11.9006 11.9006 13.1221 13.1221 13.2889 13.2889 13.5434 13.5434 k = 0.0000 0.0849 0.3236 ( 3322 PWs) bands (ev): -45.1310 -45.1310 -45.1307 -45.1307 -21.7498 -21.7498 -21.7404 -21.7404 -21.1455 -21.1455 -21.1170 -21.1170 -21.0140 -21.0140 -20.9940 -20.9940 4.6051 4.6051 4.7134 4.7134 10.5591 10.5591 10.6072 10.6072 11.8241 11.8241 11.8985 11.8985 13.1117 13.1117 13.3193 13.3193 13.5311 13.5311 k = 0.0000 0.0943 0.3236 ( 3322 PWs) bands (ev): -45.1306 -45.1306 -45.1302 -45.1302 -21.7518 -21.7518 -21.7413 -21.7413 -21.1483 -21.1483 -21.1167 -21.1167 -21.0163 -21.0163 -20.9939 -20.9939 4.6094 4.6094 4.7432 4.7432 10.5593 10.5593 10.6194 10.6194 11.8091 11.8091 11.8960 11.8960 13.1000 13.1000 13.3519 13.3519 13.5175 13.5175 k = 0.0000 0.1038 0.3236 ( 3318 PWs) bands (ev): -45.1301 -45.1301 -45.1296 -45.1296 -21.7540 -21.7540 -21.7422 -21.7422 -21.1513 -21.1513 -21.1165 -21.1165 -21.0187 -21.0187 -20.9939 -20.9939 4.6141 4.6141 4.7759 4.7759 10.5591 10.5591 10.6327 10.6327 11.7941 11.7941 11.8933 11.8933 13.0872 13.0872 13.3863 13.3863 13.5028 13.5028 k = 0.0000 0.1132 0.3236 ( 3322 PWs) bands (ev): -45.1295 -45.1295 -45.1290 -45.1290 -21.7563 -21.7563 -21.7433 -21.7433 -21.1544 -21.1544 -21.1165 -21.1165 -21.0212 -21.0212 -20.9939 -20.9939 4.6190 4.6190 4.8114 4.8114 10.5583 10.5583 10.6472 10.6472 11.7795 11.7795 11.8903 11.8903 13.0733 13.0733 13.4220 13.4220 13.4872 13.4872 k = 0.0000 0.1226 0.3236 ( 3318 PWs) bands (ev): -45.1289 -45.1289 -45.1283 -45.1283 -21.7588 -21.7588 -21.7444 -21.7444 -21.1577 -21.1577 -21.1166 -21.1166 -21.0237 -21.0237 -20.9939 -20.9939 4.6241 4.6241 4.8498 4.8498 10.5569 10.5569 10.6627 10.6627 11.7654 11.7654 11.8872 11.8872 13.0583 13.0583 13.4546 13.4546 13.4751 13.4751 k = 0.0000 0.1321 0.3236 ( 3324 PWs) bands (ev): -45.1283 -45.1283 -45.1276 -45.1276 -21.7615 -21.7615 -21.7458 -21.7458 -21.1610 -21.1610 -21.1170 -21.1170 -21.0262 -21.0262 -20.9938 -20.9938 4.6294 4.6294 4.8910 4.8910 10.5546 10.5546 10.6794 10.6794 11.7521 11.7521 11.8839 11.8839 13.0421 13.0421 13.4480 13.4480 13.5023 13.5023 k = 0.0000 0.1415 0.3236 ( 3320 PWs) bands (ev): -45.1276 -45.1276 -45.1268 -45.1268 -21.7644 -21.7644 -21.7472 -21.7472 -21.1645 -21.1645 -21.1176 -21.1176 -21.0286 -21.0286 -20.9938 -20.9938 4.6348 4.6348 4.9348 4.9348 10.5513 10.5513 10.6971 10.6971 11.7398 11.7398 11.8804 11.8804 13.0250 13.0250 13.4294 13.4294 13.5415 13.5415 k = 0.0000 0.1509 0.3236 ( 3316 PWs) bands (ev): -45.1269 -45.1269 -45.1260 -45.1260 -21.7675 -21.7675 -21.7488 -21.7488 -21.1680 -21.1680 -21.1183 -21.1183 -21.0310 -21.0310 -20.9938 -20.9938 4.6402 4.6402 4.9812 4.9812 10.5468 10.5468 10.7158 10.7158 11.7287 11.7287 11.8771 11.8771 13.0070 13.0070 13.4091 13.4091 13.5823 13.5823 k = 0.0000 0.1604 0.3236 ( 3310 PWs) bands (ev): -45.1261 -45.1261 -45.1251 -45.1251 -21.7707 -21.7707 -21.7504 -21.7504 -21.1717 -21.1717 -21.1193 -21.1193 -21.0332 -21.0332 -20.9937 -20.9937 4.6457 4.6457 5.0302 5.0302 10.5409 10.5409 10.7355 10.7355 11.7189 11.7189 11.8738 11.8738 12.9880 12.9880 13.3878 13.3878 13.6240 13.6240 k = 0.0000 0.1698 0.3236 ( 3306 PWs) bands (ev): -45.1254 -45.1254 -45.1243 -45.1243 -21.7741 -21.7741 -21.7522 -21.7522 -21.1753 -21.1753 -21.1206 -21.1206 -21.0354 -21.0354 -20.9936 -20.9936 4.6511 4.6511 5.0816 5.0816 10.5335 10.5335 10.7562 10.7562 11.7105 11.7105 11.8707 11.8707 12.9681 12.9681 13.3656 13.3656 13.6663 13.6663 k = 0.0000 0.1792 0.3236 ( 3304 PWs) bands (ev): -45.1246 -45.1246 -45.1233 -45.1233 -21.7777 -21.7777 -21.7542 -21.7542 -21.1791 -21.1791 -21.1221 -21.1221 -21.0373 -21.0373 -20.9935 -20.9935 4.6564 4.6564 5.1354 5.1354 10.5244 10.5244 10.7778 10.7778 11.7038 11.7038 11.8680 11.8680 12.9475 12.9475 13.3426 13.3426 13.7091 13.7091 k = 0.0000 0.1887 0.3236 ( 3300 PWs) bands (ev): -45.1238 -45.1238 -45.1224 -45.1224 -21.7814 -21.7814 -21.7562 -21.7562 -21.1828 -21.1828 -21.1238 -21.1238 -21.0392 -21.0392 -20.9933 -20.9933 4.6616 4.6616 5.1914 5.1914 10.5134 10.5134 10.8003 10.8003 11.6985 11.6985 11.8658 11.8658 12.9262 12.9262 13.3190 13.3190 13.7522 13.7522 k = 0.0000 0.1981 0.3236 ( 3300 PWs) bands (ev): -45.1229 -45.1229 -45.1215 -45.1215 -21.7853 -21.7853 -21.7583 -21.7583 -21.1866 -21.1866 -21.1257 -21.1257 -21.0408 -21.0408 -20.9931 -20.9931 4.6666 4.6666 5.2495 5.2495 10.5003 10.5003 10.8237 10.8237 11.6950 11.6950 11.8642 11.8642 12.9043 12.9043 13.2949 13.2949 13.7956 13.7956 k = 0.0000 0.2075 0.3236 ( 3304 PWs) bands (ev): -45.1221 -45.1221 -45.1205 -45.1205 -21.7894 -21.7894 -21.7605 -21.7605 -21.1904 -21.1904 -21.1279 -21.1279 -21.0422 -21.0422 -20.9929 -20.9929 4.6714 4.6714 5.3097 5.3097 10.4850 10.4850 10.8479 10.8479 11.6930 11.6930 11.8633 11.8633 12.8818 12.8818 13.2703 13.2703 13.8390 13.8390 k = 0.0000 0.2170 0.3236 ( 3296 PWs) bands (ev): -45.1212 -45.1212 -45.1195 -45.1195 -21.7936 -21.7936 -21.7629 -21.7629 -21.1942 -21.1942 -21.1303 -21.1303 -21.0435 -21.0435 -20.9926 -20.9926 4.6760 4.6760 5.3718 5.3718 10.4674 10.4674 10.8731 10.8731 11.6927 11.6927 11.8632 11.8632 12.8589 12.8589 13.2453 13.2453 13.8752 13.8752 k = 0.0000 0.2264 0.3236 ( 3304 PWs) bands (ev): -45.1203 -45.1203 -45.1185 -45.1185 -21.7979 -21.7979 -21.7653 -21.7653 -21.1979 -21.1979 -21.1329 -21.1329 -21.0445 -21.0445 -20.9923 -20.9923 4.6803 4.6803 5.4357 5.4357 10.4474 10.4474 10.8991 10.8991 11.6940 11.6940 11.8641 11.8641 12.8356 12.8356 13.2201 13.2201 13.9065 13.9065 k = 0.0000 0.2358 0.3236 ( 3300 PWs) bands (ev): -45.1194 -45.1194 -45.1175 -45.1175 -21.8024 -21.8024 -21.7678 -21.7678 -21.2016 -21.2016 -21.1356 -21.1356 -21.0454 -21.0454 -20.9919 -20.9919 4.6843 4.6843 5.5013 5.5013 10.4249 10.4249 10.9259 10.9259 11.6967 11.6967 11.8661 11.8661 12.8121 12.8121 13.1948 13.1948 13.9395 13.9395 k = 0.0000 0.2453 0.3236 ( 3298 PWs) bands (ev): -45.1186 -45.1186 -45.1165 -45.1165 -21.8069 -21.8069 -21.7704 -21.7704 -21.2052 -21.2052 -21.1385 -21.1385 -21.0461 -21.0461 -20.9915 -20.9915 4.6880 4.6880 5.5684 5.5684 10.3999 10.3999 10.9536 10.9536 11.7009 11.7009 11.8691 11.8691 12.7884 12.7884 13.1694 13.1694 13.9738 13.9738 k = 0.0000 0.2547 0.3236 ( 3298 PWs) bands (ev): -45.1177 -45.1177 -45.1154 -45.1154 -21.8116 -21.8116 -21.7730 -21.7730 -21.2087 -21.2087 -21.1414 -21.1414 -21.0467 -21.0467 -20.9911 -20.9911 4.6913 4.6913 5.6369 5.6369 10.3723 10.3723 10.9820 10.9820 11.7065 11.7065 11.8732 11.8732 12.7646 12.7646 13.1440 13.1440 14.0095 14.0095 k = 0.0000 0.2642 0.3236 ( 3302 PWs) bands (ev): -45.1168 -45.1168 -45.1144 -45.1144 -21.8163 -21.8163 -21.7757 -21.7757 -21.2122 -21.2122 -21.1445 -21.1445 -21.0471 -21.0471 -20.9906 -20.9906 4.6943 4.6943 5.7066 5.7066 10.3422 10.3422 11.0113 11.0113 11.7132 11.7132 11.8784 11.8784 12.7408 12.7408 13.1187 13.1187 14.0464 14.0464 k = 0.0000 0.2736 0.3236 ( 3310 PWs) bands (ev): -45.1159 -45.1159 -45.1134 -45.1134 -21.8211 -21.8211 -21.7784 -21.7784 -21.2155 -21.2155 -21.1476 -21.1476 -21.0474 -21.0474 -20.9901 -20.9901 4.6970 4.6970 5.7775 5.7775 10.3096 10.3096 11.0413 11.0413 11.7209 11.7209 11.8846 11.8846 12.7171 12.7171 13.0937 13.0937 14.0842 14.0842 k = 0.0000 0.2830 0.3236 ( 3314 PWs) bands (ev): -45.1150 -45.1150 -45.1124 -45.1124 -21.8259 -21.8259 -21.7812 -21.7812 -21.2188 -21.2188 -21.1508 -21.1508 -21.0475 -21.0475 -20.9896 -20.9896 4.6993 4.6993 5.8493 5.8493 10.2747 10.2747 11.0721 11.0721 11.7296 11.7296 11.8919 11.8919 12.6936 12.6936 13.0690 13.0690 14.1230 14.1230 k = 0.0000 0.2925 0.3236 ( 3310 PWs) bands (ev): -45.1141 -45.1141 -45.1114 -45.1114 -21.8308 -21.8308 -21.7840 -21.7840 -21.2219 -21.2219 -21.1539 -21.1539 -21.0476 -21.0476 -20.9891 -20.9891 4.7013 4.7013 5.9218 5.9218 10.2376 10.2376 11.1035 11.1035 11.7390 11.7390 11.9002 11.9002 12.6704 12.6704 13.0447 13.0447 14.1624 14.1624 k = 0.0000 0.3019 0.3236 ( 3302 PWs) bands (ev): -45.1133 -45.1133 -45.1104 -45.1104 -21.8356 -21.8356 -21.7868 -21.7868 -21.2249 -21.2249 -21.1570 -21.1570 -21.0476 -21.0476 -20.9886 -20.9886 4.7030 4.7030 5.9949 5.9949 10.1984 10.1984 11.1356 11.1356 11.7489 11.7489 11.9094 11.9094 12.6476 12.6476 13.0209 13.0209 14.2023 14.2024 k = 0.0000 0.3113 0.3236 ( 3306 PWs) bands (ev): -45.1125 -45.1125 -45.1095 -45.1095 -21.8404 -21.8404 -21.7896 -21.7896 -21.2278 -21.2278 -21.1601 -21.1601 -21.0475 -21.0475 -20.9880 -20.9880 4.7043 4.7043 6.0683 6.0683 10.1572 10.1572 11.1683 11.1683 11.7592 11.7592 11.9193 11.9193 12.6253 12.6253 12.9976 12.9976 14.2426 14.2426 k = 0.0000 0.3208 0.3236 ( 3308 PWs) bands (ev): -45.1116 -45.1116 -45.1085 -45.1085 -21.8452 -21.8452 -21.7924 -21.7924 -21.2305 -21.2305 -21.1631 -21.1631 -21.0474 -21.0474 -20.9875 -20.9875 4.7053 4.7053 6.1419 6.1419 10.1144 10.1144 11.2015 11.2015 11.7697 11.7697 11.9298 11.9298 12.6035 12.6035 12.9750 12.9750 14.2828 14.2829 k = 0.0000 0.3302 0.3236 ( 3308 PWs) bands (ev): -45.1108 -45.1108 -45.1076 -45.1076 -21.8499 -21.8499 -21.7951 -21.7951 -21.2331 -21.2331 -21.1660 -21.1660 -21.0472 -21.0472 -20.9869 -20.9869 4.7060 4.7060 6.2154 6.2154 10.0701 10.0701 11.2352 11.2352 11.7803 11.7803 11.9409 11.9409 12.5823 12.5823 12.9531 12.9531 14.3230 14.3230 k = 0.0000 0.3396 0.3236 ( 3308 PWs) bands (ev): -45.1101 -45.1101 -45.1068 -45.1068 -21.8545 -21.8545 -21.7979 -21.7979 -21.2356 -21.2356 -21.1688 -21.1688 -21.0470 -21.0470 -20.9864 -20.9864 4.7065 4.7065 6.2886 6.2886 10.0245 10.0245 11.2691 11.2691 11.7906 11.7906 11.9523 11.9523 12.5619 12.5619 12.9320 12.9320 14.3625 14.3625 k = 0.0000 0.3491 0.3236 ( 3308 PWs) bands (ev): -45.1093 -45.1093 -45.1059 -45.1059 -21.8590 -21.8590 -21.8005 -21.8005 -21.2379 -21.2379 -21.1715 -21.1715 -21.0467 -21.0467 -20.9858 -20.9858 4.7067 4.7067 6.3612 6.3612 9.9780 9.9780 11.3033 11.3033 11.8006 11.8006 11.9640 11.9640 12.5422 12.5422 12.9117 12.9117 14.3973 14.3974 k = 0.0000 0.3585 0.3236 ( 3308 PWs) bands (ev): -45.1086 -45.1086 -45.1051 -45.1051 -21.8634 -21.8634 -21.8031 -21.8031 -21.2400 -21.2400 -21.1741 -21.1741 -21.0465 -21.0465 -20.9853 -20.9853 4.7067 4.7067 6.4328 6.4328 9.9308 9.9308 11.3376 11.3376 11.8100 11.8100 11.9759 11.9759 12.5233 12.5233 12.8924 12.8924 14.4049 14.4049 k = 0.0000 0.3679 0.3236 ( 3304 PWs) bands (ev): -45.1079 -45.1079 -45.1043 -45.1043 -21.8676 -21.8676 -21.8056 -21.8056 -21.2420 -21.2420 -21.1766 -21.1766 -21.0462 -21.0462 -20.9848 -20.9848 4.7065 4.7065 6.5033 6.5033 9.8833 9.8833 11.3719 11.3719 11.8187 11.8187 11.9877 11.9877 12.5054 12.5054 12.8740 12.8740 14.4080 14.4080 k = 0.0000 0.3774 0.3236 ( 3306 PWs) bands (ev): -45.1073 -45.1073 -45.1036 -45.1036 -21.8716 -21.8716 -21.8080 -21.8080 -21.2439 -21.2439 -21.1789 -21.1789 -21.0459 -21.0459 -20.9843 -20.9843 4.7061 4.7061 6.5721 6.5721 9.8358 9.8358 11.4059 11.4059 11.8265 11.8265 11.9993 11.9993 12.4884 12.4884 12.8566 12.8566 14.4105 14.4105 k = 0.0000 0.3868 0.3236 ( 3314 PWs) bands (ev): -45.1067 -45.1067 -45.1029 -45.1029 -21.8754 -21.8754 -21.8103 -21.8103 -21.2456 -21.2456 -21.1810 -21.1810 -21.0456 -21.0456 -20.9838 -20.9838 4.7057 4.7057 6.6390 6.6390 9.7887 9.7887 11.4397 11.4397 11.8332 11.8332 12.0107 12.0107 12.4725 12.4725 12.8404 12.8404 14.4128 14.4128 k = 0.0000 0.3962 0.3236 ( 3310 PWs) bands (ev): -45.1061 -45.1061 -45.1022 -45.1022 -21.8790 -21.8790 -21.8124 -21.8124 -21.2472 -21.2472 -21.1830 -21.1830 -21.0453 -21.0453 -20.9833 -20.9833 4.7051 4.7051 6.7035 6.7035 9.7424 9.7424 11.4729 11.4729 11.8387 11.8387 12.0216 12.0216 12.4576 12.4576 12.8252 12.8252 14.4150 14.4150 k = 0.0000 0.4057 0.3236 ( 3306 PWs) bands (ev): -45.1056 -45.1056 -45.1016 -45.1016 -21.8824 -21.8824 -21.8144 -21.8144 -21.2486 -21.2486 -21.1849 -21.1849 -21.0450 -21.0450 -20.9829 -20.9829 4.7045 4.7045 6.7652 6.7652 9.6973 9.6973 11.5054 11.5054 11.8428 11.8428 12.0320 12.0320 12.4439 12.4439 12.8112 12.8112 14.4169 14.4170 k = 0.0000 0.4151 0.3236 ( 3306 PWs) bands (ev): -45.1051 -45.1051 -45.1011 -45.1011 -21.8855 -21.8855 -21.8163 -21.8163 -21.2499 -21.2499 -21.1865 -21.1865 -21.0448 -21.0448 -20.9825 -20.9825 4.7038 4.7038 6.8235 6.8235 9.6541 9.6541 11.5370 11.5370 11.8455 11.8455 12.0418 12.0418 12.4314 12.4314 12.7985 12.7985 14.4188 14.4188 k = 0.0000 0.4245 0.3236 ( 3306 PWs) bands (ev): -45.1047 -45.1047 -45.1006 -45.1006 -21.8883 -21.8883 -21.8180 -21.8180 -21.2511 -21.2511 -21.1880 -21.1880 -21.0445 -21.0445 -20.9822 -20.9822 4.7031 4.7031 6.8780 6.8780 9.6131 9.6131 11.5675 11.5675 11.8466 11.8466 12.0508 12.0508 12.4200 12.4200 12.7870 12.7870 14.4205 14.4205 k = 0.0000 0.4340 0.3236 ( 3306 PWs) bands (ev): -45.1043 -45.1043 -45.1002 -45.1002 -21.8908 -21.8908 -21.8195 -21.8195 -21.2521 -21.2521 -21.1894 -21.1894 -21.0443 -21.0443 -20.9818 -20.9818 4.7025 4.7025 6.9280 6.9280 9.5750 9.5750 11.5967 11.5967 11.8460 11.8460 12.0590 12.0590 12.4100 12.4100 12.7767 12.7767 14.4220 14.4220 k = 0.0000 0.4434 0.3236 ( 3310 PWs) bands (ev): -45.1040 -45.1040 -45.0998 -45.0998 -21.8930 -21.8930 -21.8209 -21.8209 -21.2530 -21.2530 -21.1905 -21.1905 -21.0441 -21.0441 -20.9815 -20.9815 4.7018 4.7018 6.9731 6.9731 9.5404 9.5404 11.6243 11.6243 11.8438 11.8438 12.0663 12.0663 12.4011 12.4011 12.7678 12.7678 14.4233 14.4233 k = 0.0000 0.4528 0.3236 ( 3310 PWs) bands (ev): -45.1037 -45.1037 -45.0995 -45.0995 -21.8949 -21.8949 -21.8220 -21.8220 -21.2537 -21.2537 -21.1915 -21.1915 -21.0440 -21.0440 -20.9813 -20.9813 4.7013 4.7013 7.0125 7.0125 9.5097 9.5097 11.6501 11.6501 11.8400 11.8400 12.0726 12.0726 12.3937 12.3937 12.7602 12.7602 14.4245 14.4245 k = 0.0000 0.4623 0.3236 ( 3308 PWs) bands (ev): -45.1035 -45.1035 -45.0992 -45.0992 -21.8965 -21.8965 -21.8230 -21.8230 -21.2543 -21.2543 -21.1923 -21.1923 -21.0438 -21.0438 -20.9811 -20.9811 4.7008 4.7008 7.0457 7.0457 9.4837 9.4837 11.6736 11.6736 11.8347 11.8347 12.0778 12.0778 12.3875 12.3875 12.7539 12.7539 14.4254 14.4254 k = 0.0000 0.4717 0.3236 ( 3312 PWs) bands (ev): -45.1033 -45.1033 -45.0990 -45.0990 -21.8977 -21.8977 -21.8237 -21.8237 -21.2548 -21.2548 -21.1929 -21.1929 -21.0437 -21.0437 -20.9809 -20.9809 4.7004 4.7004 7.0722 7.0722 9.4628 9.4628 11.6943 11.6943 11.8284 11.8284 12.0819 12.0819 12.3827 12.3827 12.7491 12.7491 14.4262 14.4262 k = 0.0000 0.4811 0.3236 ( 3312 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8986 -21.8986 -21.8242 -21.8242 -21.2551 -21.2551 -21.1934 -21.1934 -21.0436 -21.0436 -20.9808 -20.9808 4.7001 4.7001 7.0915 7.0915 9.4475 9.4475 11.7113 11.7113 11.8218 11.8218 12.0849 12.0849 12.3792 12.3792 12.7456 12.7456 14.4267 14.4267 k = 0.0000 0.4906 0.3236 ( 3324 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8991 -21.8991 -21.8246 -21.8246 -21.2553 -21.2553 -21.1937 -21.1937 -21.0436 -21.0436 -20.9808 -20.9808 4.6999 4.6999 7.1032 7.1032 9.4382 9.4382 11.7230 11.7230 11.8164 11.8164 12.0867 12.0867 12.3772 12.3772 12.7435 12.7435 14.4271 14.4271 k = 0.0000 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8993 -21.8993 -21.8247 -21.8247 -21.2553 -21.2553 -21.1938 -21.1938 -21.0436 -21.0436 -20.9807 -20.9807 4.6998 4.6998 7.1071 7.1071 9.4351 9.4351 11.7273 11.7273 11.8142 11.8142 12.0873 12.0873 12.3765 12.3765 12.7428 12.7428 14.4272 14.4272 k = 0.0000 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8993 -21.8993 -21.8247 -21.8247 -21.2553 -21.2553 -21.1938 -21.1938 -21.0436 -21.0436 -20.9807 -20.9807 4.6998 4.6998 7.1071 7.1071 9.4351 9.4351 11.7273 11.7273 11.8142 11.8142 12.0873 12.0873 12.3765 12.3765 12.7428 12.7428 14.4272 14.4272 k = 0.0094 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8992 -21.8992 -21.8247 -21.8247 -21.2554 -21.2554 -21.1938 -21.1938 -21.0437 -21.0437 -20.9809 -20.9809 4.7012 4.7012 7.1065 7.1065 9.4365 9.4365 11.7288 11.7288 11.8110 11.8110 12.0886 12.0886 12.3737 12.3737 12.7427 12.7427 14.4283 14.4283 k = 0.0189 0.5000 0.3236 ( 3320 PWs) bands (ev): -45.1029 -45.1029 -45.0986 -45.0986 -21.8992 -21.8992 -21.8247 -21.8247 -21.2555 -21.2555 -21.1938 -21.1938 -21.0443 -21.0443 -20.9814 -20.9814 4.7052 4.7052 7.1047 7.1047 9.4410 9.4410 11.7332 11.7332 11.8016 11.8016 12.0927 12.0927 12.3653 12.3653 12.7424 12.7424 14.4315 14.4315 k = 0.0283 0.5000 0.3236 ( 3316 PWs) bands (ev): -45.1028 -45.1028 -45.0985 -45.0985 -21.8990 -21.8990 -21.8248 -21.8248 -21.2558 -21.2558 -21.1939 -21.1939 -21.0452 -21.0452 -20.9822 -20.9822 4.7120 4.7120 7.1017 7.1017 9.4485 9.4485 11.7405 11.7405 11.7862 11.7862 12.0995 12.0995 12.3514 12.3514 12.7417 12.7417 14.4370 14.4370 k = 0.0377 0.5000 0.3236 ( 3312 PWs) bands (ev): -45.1026 -45.1026 -45.0983 -45.0983 -21.8989 -21.8989 -21.8249 -21.8249 -21.2561 -21.2561 -21.1941 -21.1941 -21.0464 -21.0464 -20.9834 -20.9834 4.7214 4.7214 7.0975 7.0975 9.4589 9.4589 11.7507 11.7507 11.7653 11.7653 12.1090 12.1090 12.3321 12.3321 12.7403 12.7403 14.4447 14.4447 k = 0.0472 0.5000 0.3236 ( 3304 PWs) bands (ev): -45.1023 -45.1023 -45.0981 -45.0981 -21.8986 -21.8986 -21.8250 -21.8250 -21.2565 -21.2565 -21.1942 -21.1942 -21.0480 -21.0480 -20.9848 -20.9848 4.7335 4.7335 7.0922 7.0922 9.4722 9.4722 11.7391 11.7391 11.7640 11.7640 12.1211 12.1211 12.3077 12.3077 12.7378 12.7378 14.4547 14.4547 k = 0.0566 0.5000 0.3236 ( 3308 PWs) bands (ev): -45.1020 -45.1020 -45.0978 -45.0978 -21.8984 -21.8984 -21.8252 -21.8252 -21.2570 -21.2570 -21.1944 -21.1944 -21.0499 -21.0499 -20.9866 -20.9866 4.7482 4.7482 7.0857 7.0857 9.4884 9.4884 11.7085 11.7085 11.7800 11.7800 12.1359 12.1359 12.2783 12.2783 12.7338 12.7338 14.4668 14.4668 k = 0.0660 0.5000 0.3236 ( 3308 PWs) bands (ev): -45.1016 -45.1016 -45.0975 -45.0975 -21.8981 -21.8981 -21.8254 -21.8254 -21.2576 -21.2576 -21.1947 -21.1947 -21.0521 -21.0521 -20.9887 -20.9887 4.7654 4.7654 7.0781 7.0781 9.5075 9.5075 11.6739 11.6739 11.7989 11.7989 12.1531 12.1531 12.2444 12.2444 12.7280 12.7280 14.4813 14.4813 k = 0.0755 0.5000 0.3236 ( 3312 PWs) bands (ev): -45.1012 -45.1012 -45.0971 -45.0971 -21.8977 -21.8977 -21.8257 -21.8257 -21.2583 -21.2583 -21.1950 -21.1950 -21.0546 -21.0546 -20.9911 -20.9911 4.7853 4.7853 7.0695 7.0695 9.5294 9.5294 11.6359 11.6359 11.8207 11.8207 12.1718 12.1718 12.2072 12.2072 12.7200 12.7200 14.4980 14.4980 k = 0.0849 0.5000 0.3236 ( 3312 PWs) bands (ev): -45.1007 -45.1007 -45.0967 -45.0967 -21.8973 -21.8973 -21.8260 -21.8260 -21.2591 -21.2591 -21.1954 -21.1954 -21.0574 -21.0574 -20.9937 -20.9937 4.8076 4.8076 7.0598 7.0598 9.5540 9.5540 11.5950 11.5950 11.8452 11.8452 12.1596 12.1596 12.1993 12.1993 12.7096 12.7096 14.5170 14.5170 k = 0.0943 0.5000 0.3236 ( 3316 PWs) bands (ev): -45.1002 -45.1002 -45.0962 -45.0962 -21.8969 -21.8969 -21.8263 -21.8263 -21.2600 -21.2600 -21.1958 -21.1958 -21.0604 -21.0604 -20.9966 -20.9966 4.8323 4.8323 7.0491 7.0491 9.5814 9.5814 11.5516 11.5516 11.8725 11.8725 12.1144 12.1144 12.2232 12.2232 12.6967 12.6967 14.5382 14.5382 k = 0.1038 0.5000 0.3236 ( 3320 PWs) bands (ev): -45.0996 -45.0996 -45.0957 -45.0957 -21.8965 -21.8965 -21.8267 -21.8267 -21.2609 -21.2609 -21.1962 -21.1962 -21.0637 -21.0637 -20.9997 -20.9997 4.8595 4.8595 7.0374 7.0374 9.6113 9.6113 11.5063 11.5063 11.9023 11.9023 12.0646 12.0646 12.2509 12.2509 12.6812 12.6812 14.5616 14.5616 k = 0.1132 0.5000 0.3236 ( 3316 PWs) bands (ev): -45.0990 -45.0990 -45.0952 -45.0952 -21.8960 -21.8960 -21.8271 -21.8271 -21.2620 -21.2620 -21.1967 -21.1967 -21.0672 -21.0672 -21.0031 -21.0031 4.8889 4.8889 7.0249 7.0249 9.6438 9.6438 11.4595 11.4595 11.9342 11.9342 12.0122 12.0122 12.2811 12.2811 12.6630 12.6630 14.5871 14.5871 k = 0.1226 0.5000 0.3236 ( 3312 PWs) bands (ev): -45.0983 -45.0983 -45.0946 -45.0946 -21.8955 -21.8955 -21.8277 -21.8277 -21.2631 -21.2631 -21.1973 -21.1973 -21.0709 -21.0709 -21.0067 -21.0067 4.9206 4.9206 7.0115 7.0115 9.6788 9.6788 11.4114 11.4114 11.9486 11.9486 11.9771 11.9771 12.3139 12.3139 12.6423 12.6423 14.6135 14.6135 k = 0.1321 0.5000 0.3236 ( 3312 PWs) bands (ev): -45.0976 -45.0976 -45.0940 -45.0940 -21.8950 -21.8950 -21.8282 -21.8282 -21.2643 -21.2643 -21.1980 -21.1980 -21.0747 -21.0747 -21.0105 -21.0105 4.9545 4.9545 6.9973 6.9973 9.7162 9.7162 11.3625 11.3625 11.8944 11.8944 12.0105 12.0105 12.3490 12.3490 12.6190 12.6190 14.6270 14.6271 k = 0.1415 0.5000 0.3236 ( 3316 PWs) bands (ev): -45.0969 -45.0969 -45.0933 -45.0933 -21.8945 -21.8945 -21.8289 -21.8289 -21.2656 -21.2656 -21.1987 -21.1987 -21.0787 -21.0787 -21.0144 -21.0144 4.9904 4.9904 6.9825 6.9825 9.7559 9.7559 11.3129 11.3129 11.8342 11.8342 12.0504 12.0504 12.3863 12.3863 12.5935 12.5935 14.6170 14.6170 k = 0.1509 0.5000 0.3236 ( 3316 PWs) bands (ev): -45.0961 -45.0961 -45.0926 -45.0926 -21.8940 -21.8940 -21.8296 -21.8296 -21.2670 -21.2670 -21.1995 -21.1995 -21.0828 -21.0828 -21.0185 -21.0185 5.0283 5.0283 6.9669 6.9669 9.7978 9.7978 11.2630 11.2630 11.7718 11.7718 12.0931 12.0931 12.4257 12.4257 12.5660 12.5660 14.6037 14.6037 k = 0.1604 0.5000 0.3236 ( 3316 PWs) bands (ev): -45.0953 -45.0953 -45.0919 -45.0919 -21.8935 -21.8935 -21.8304 -21.8304 -21.2684 -21.2684 -21.2004 -21.2004 -21.0869 -21.0869 -21.0228 -21.0228 5.0681 5.0681 6.9507 6.9507 9.8417 9.8417 11.2129 11.2129 11.7079 11.7079 12.1382 12.1382 12.4663 12.4663 12.5373 12.5373 14.5894 14.5894 k = 0.1698 0.5000 0.3236 ( 3320 PWs) bands (ev): -45.0944 -45.0944 -45.0912 -45.0912 -21.8929 -21.8929 -21.8313 -21.8313 -21.2699 -21.2699 -21.2014 -21.2014 -21.0911 -21.0911 -21.0271 -21.0271 5.1097 5.1097 6.9340 6.9340 9.8877 9.8877 11.1629 11.1629 11.6428 11.6428 12.1856 12.1856 12.4943 12.4943 12.5215 12.5215 14.5742 14.5742 k = 0.1792 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0935 -45.0935 -45.0904 -45.0904 -21.8924 -21.8924 -21.8323 -21.8323 -21.2714 -21.2714 -21.2025 -21.2025 -21.0954 -21.0954 -21.0316 -21.0316 5.1529 5.1529 6.9169 6.9169 9.9356 9.9356 11.1131 11.1131 11.5770 11.5770 12.2350 12.2350 12.4682 12.4682 12.5599 12.5599 14.5584 14.5584 k = 0.1887 0.5000 0.3236 ( 3328 PWs) bands (ev): -45.0926 -45.0926 -45.0896 -45.0896 -21.8920 -21.8920 -21.8334 -21.8334 -21.2730 -21.2730 -21.2037 -21.2037 -21.0996 -21.0996 -21.0361 -21.0361 5.1977 5.1977 6.8993 6.8993 9.9852 9.9852 11.0637 11.0637 11.5105 11.5105 12.2863 12.2863 12.4345 12.4345 12.6063 12.6063 14.5420 14.5420 k = 0.1981 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0917 -45.0917 -45.0888 -45.0888 -21.8915 -21.8915 -21.8346 -21.8346 -21.2746 -21.2746 -21.2050 -21.2050 -21.1037 -21.1037 -21.0406 -21.0406 5.2439 5.2439 6.8814 6.8814 10.0365 10.0365 11.0149 11.0149 11.4439 11.4439 12.3387 12.3387 12.3997 12.3997 12.6546 12.6546 14.5251 14.5251 k = 0.2075 0.5000 0.3236 ( 3332 PWs) bands (ev): -45.0907 -45.0907 -45.0880 -45.0880 -21.8911 -21.8911 -21.8358 -21.8358 -21.2763 -21.2763 -21.2065 -21.2065 -21.1078 -21.1078 -21.0452 -21.0452 5.2914 5.2914 6.8632 6.8632 10.0893 10.0893 10.9666 10.9666 11.3772 11.3772 12.3590 12.3590 12.3975 12.3975 12.7043 12.7043 14.5080 14.5080 k = 0.2170 0.5000 0.3236 ( 3328 PWs) bands (ev): -45.0898 -45.0898 -45.0871 -45.0871 -21.8906 -21.8906 -21.8372 -21.8372 -21.2779 -21.2779 -21.2081 -21.2081 -21.1118 -21.1118 -21.0498 -21.0498 5.3401 5.3401 6.8448 6.8448 10.1436 10.1436 10.9192 10.9192 11.3108 11.3108 12.3231 12.3231 12.4522 12.4522 12.7551 12.7551 14.4908 14.4908 k = 0.2264 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0888 -45.0888 -45.0863 -45.0863 -21.8903 -21.8903 -21.8387 -21.8387 -21.2796 -21.2796 -21.2098 -21.2098 -21.1156 -21.1156 -21.0544 -21.0544 5.3898 5.3898 6.8263 6.8263 10.1991 10.1991 10.8726 10.8726 11.2448 11.2448 12.2851 12.2851 12.5094 12.5094 12.8065 12.8065 14.4736 14.4736 k = 0.2358 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0878 -45.0878 -45.0854 -45.0854 -21.8899 -21.8899 -21.8402 -21.8402 -21.2813 -21.2813 -21.2117 -21.2117 -21.1193 -21.1193 -21.0590 -21.0590 5.4404 5.4404 6.8077 6.8077 10.2557 10.2557 10.8270 10.8270 11.1796 11.1796 12.2466 12.2466 12.5678 12.5678 12.8581 12.8581 14.4566 14.4566 k = 0.2453 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0868 -45.0868 -45.0846 -45.0846 -21.8896 -21.8896 -21.8419 -21.8419 -21.2829 -21.2829 -21.2137 -21.2137 -21.1228 -21.1228 -21.0635 -21.0635 5.4917 5.4917 6.7891 6.7891 10.3134 10.3134 10.7824 10.7824 11.1152 11.1152 12.2078 12.2078 12.6269 12.6269 12.9098 12.9098 14.4403 14.4403 k = 0.2547 0.5000 0.3236 ( 3328 PWs) bands (ev): -45.0858 -45.0858 -45.0837 -45.0837 -21.8894 -21.8894 -21.8436 -21.8436 -21.2846 -21.2846 -21.2159 -21.2159 -21.1261 -21.1261 -21.0680 -21.0680 5.5435 5.5435 6.7705 6.7705 10.3720 10.3720 10.7389 10.7389 11.0518 11.0518 12.1689 12.1689 12.6863 12.6863 12.9608 12.9608 14.4248 14.4248 k = 0.2642 0.5000 0.3236 ( 3320 PWs) bands (ev): -45.0848 -45.0848 -45.0829 -45.0829 -21.8892 -21.8892 -21.8455 -21.8455 -21.2862 -21.2862 -21.2182 -21.2182 -21.1291 -21.1291 -21.0724 -21.0724 5.5958 5.5958 6.7521 6.7521 10.4312 10.4312 10.6966 10.6966 10.9898 10.9898 12.1302 12.1302 12.7456 12.7456 13.0108 13.0108 14.4106 14.4106 k = 0.2736 0.5000 0.3236 ( 3320 PWs) bands (ev): -45.0839 -45.0839 -45.0820 -45.0820 -21.8890 -21.8890 -21.8474 -21.8474 -21.2877 -21.2877 -21.2207 -21.2207 -21.1320 -21.1320 -21.0767 -21.0767 5.6482 5.6482 6.7338 6.7338 10.4911 10.4911 10.6556 10.6556 10.9291 10.9291 12.0917 12.0917 12.8042 12.8042 13.0593 13.0593 14.3981 14.3981 k = 0.2830 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0829 -45.0829 -45.0811 -45.0811 -21.8889 -21.8889 -21.8494 -21.8494 -21.2891 -21.2891 -21.2233 -21.2233 -21.1346 -21.1346 -21.0809 -21.0809 5.7007 5.7007 6.7158 6.7158 10.5514 10.5514 10.6159 10.6159 10.8699 10.8699 12.0537 12.0537 12.8618 12.8618 13.1056 13.1056 14.3877 14.3877 k = 0.2925 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0819 -45.0819 -45.0803 -45.0803 -21.8888 -21.8888 -21.8515 -21.8515 -21.2905 -21.2905 -21.2260 -21.2260 -21.1370 -21.1370 -21.0851 -21.0851 5.7531 5.7531 6.6981 6.6981 10.5774 10.5774 10.6120 10.6120 10.8124 10.8124 12.0163 12.0163 12.9177 12.9177 13.1491 13.1491 14.3801 14.3801 k = 0.3019 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0810 -45.0810 -45.0795 -45.0795 -21.8888 -21.8888 -21.8536 -21.8536 -21.2918 -21.2918 -21.2288 -21.2288 -21.1392 -21.1392 -21.0891 -21.0891 5.8052 5.8052 6.6808 6.6808 10.5405 10.5405 10.6727 10.6727 10.7567 10.7567 11.9797 11.9797 12.9712 12.9712 13.1893 13.1893 14.3759 14.3759 k = 0.3113 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0800 -45.0800 -45.0787 -45.0787 -21.8888 -21.8888 -21.8558 -21.8558 -21.2930 -21.2930 -21.2317 -21.2317 -21.1411 -21.1411 -21.0930 -21.0930 5.8567 5.8567 6.6639 6.6639 10.5050 10.5050 10.7029 10.7029 10.7333 10.7333 11.9439 11.9439 13.0217 13.0217 13.2256 13.2256 14.3757 14.3757 k = 0.3208 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.0791 -45.0791 -45.0779 -45.0779 -21.8889 -21.8889 -21.8580 -21.8580 -21.2940 -21.2940 -21.2347 -21.2347 -21.1429 -21.1429 -21.0968 -21.0968 5.9076 5.9076 6.6475 6.6475 10.4710 10.4710 10.6512 10.6512 10.7937 10.7937 11.9092 11.9092 13.0685 13.0685 13.2574 13.2574 14.3802 14.3802 k = 0.3302 0.5000 0.3236 ( 3320 PWs) bands (ev): -45.0782 -45.0782 -45.0771 -45.0771 -21.8890 -21.8890 -21.8602 -21.8602 -21.2950 -21.2950 -21.2378 -21.2378 -21.1444 -21.1444 -21.1004 -21.1004 5.9575 5.9575 6.6315 6.6315 10.4386 10.4386 10.6016 10.6016 10.8537 10.8537 11.8755 11.8755 13.1109 13.1109 13.2845 13.2845 14.3900 14.3900 k = 0.3396 0.5000 0.3236 ( 3328 PWs) bands (ev): -45.0774 -45.0774 -45.0764 -45.0764 -21.8891 -21.8891 -21.8624 -21.8624 -21.2958 -21.2958 -21.2409 -21.2409 -21.1457 -21.1457 -21.1040 -21.1040 6.0063 6.0063 6.6162 6.6162 10.4077 10.4077 10.5542 10.5542 10.9131 10.9131 11.8431 11.8431 13.1483 13.1483 13.3065 13.3065 14.4056 14.4056 k = 0.3491 0.5000 0.3236 ( 3332 PWs) bands (ev): -45.0765 -45.0765 -45.0756 -45.0756 -21.8892 -21.8892 -21.8647 -21.8647 -21.2964 -21.2964 -21.2440 -21.2440 -21.1468 -21.1468 -21.1074 -21.1074 6.0538 6.0538 6.6015 6.6015 10.3784 10.3784 10.5091 10.5091 10.9716 10.9716 11.8120 11.8120 13.1805 13.1805 13.3233 13.3233 14.4273 14.4273 k = 0.3585 0.5000 0.3236 ( 3336 PWs) bands (ev): -45.0758 -45.0758 -45.0750 -45.0750 -21.8894 -21.8894 -21.8669 -21.8669 -21.2969 -21.2969 -21.2471 -21.2471 -21.1478 -21.1478 -21.1107 -21.1107 6.0998 6.0998 6.5874 6.5874 10.3508 10.3508 10.4663 10.4663 11.0291 11.0291 11.7824 11.7824 13.2071 13.2071 13.3351 13.3351 14.4554 14.4554 k = 0.3679 0.5000 0.3236 ( 3336 PWs) bands (ev): -45.0750 -45.0750 -45.0743 -45.0743 -21.8896 -21.8896 -21.8691 -21.8691 -21.2973 -21.2973 -21.2502 -21.2502 -21.1485 -21.1485 -21.1138 -21.1138 6.1441 6.1441 6.5740 6.5740 10.3248 10.3248 10.4261 10.4261 11.0853 11.0853 11.7542 11.7542 13.2282 13.2282 13.3421 13.3421 14.4895 14.4895 k = 0.3774 0.5000 0.3236 ( 3340 PWs) bands (ev): -45.0743 -45.0743 -45.0737 -45.0737 -21.8898 -21.8898 -21.8712 -21.8712 -21.2975 -21.2975 -21.2532 -21.2532 -21.1491 -21.1491 -21.1168 -21.1168 6.1864 6.1864 6.5614 6.5614 10.3005 10.3005 10.3883 10.3883 11.1400 11.1400 11.7276 11.7276 13.2442 13.2442 13.3447 13.3447 14.5293 14.5293 k = 0.3868 0.5000 0.3236 ( 3344 PWs) bands (ev): -45.0736 -45.0736 -45.0731 -45.0731 -21.8900 -21.8900 -21.8733 -21.8733 -21.2976 -21.2976 -21.2562 -21.2562 -21.1495 -21.1495 -21.1197 -21.1197 6.2266 6.2266 6.5496 6.5496 10.2779 10.2779 10.3531 10.3531 11.1928 11.1928 11.7027 11.7027 13.2555 13.2555 13.3433 13.3433 14.5741 14.5741 k = 0.3962 0.5000 0.3236 ( 3340 PWs) bands (ev): -45.0730 -45.0730 -45.0725 -45.0725 -21.8902 -21.8902 -21.8753 -21.8753 -21.2974 -21.2974 -21.2592 -21.2592 -21.1498 -21.1498 -21.1224 -21.1224 6.2644 6.2644 6.5386 6.5386 10.2571 10.2571 10.3206 10.3206 11.2434 11.2434 11.6796 11.6796 13.2626 13.2626 13.3386 13.3386 14.6230 14.6230 k = 0.4057 0.5000 0.3236 ( 3344 PWs) bands (ev): -45.0724 -45.0724 -45.0720 -45.0720 -21.8903 -21.8903 -21.8771 -21.8771 -21.2972 -21.2972 -21.2621 -21.2621 -21.1500 -21.1500 -21.1250 -21.1250 6.2997 6.2997 6.5284 6.5284 10.2380 10.2380 10.2907 10.2907 11.2916 11.2916 11.6582 11.6582 13.2664 13.2664 13.3313 13.3313 14.6751 14.6751 k = 0.4151 0.5000 0.3236 ( 3356 PWs) bands (ev): -45.0719 -45.0719 -45.0716 -45.0716 -21.8905 -21.8905 -21.8789 -21.8789 -21.2967 -21.2967 -21.2649 -21.2649 -21.1500 -21.1500 -21.1275 -21.1275 6.3323 6.3323 6.5191 6.5191 10.2207 10.2207 10.2635 10.2635 11.3369 11.3369 11.6388 11.6388 13.2675 13.2675 13.3219 13.3219 14.7293 14.7293 k = 0.4245 0.5000 0.3236 ( 3356 PWs) bands (ev): -45.0714 -45.0714 -45.0712 -45.0712 -21.8906 -21.8906 -21.8806 -21.8806 -21.2962 -21.2962 -21.2677 -21.2677 -21.1498 -21.1498 -21.1298 -21.1298 6.3620 6.3620 6.5108 6.5108 10.2052 10.2052 10.2391 10.2391 11.3790 11.3790 11.6212 11.6212 13.2666 13.2666 13.3111 13.3111 14.7842 14.7842 k = 0.4340 0.5000 0.3236 ( 3352 PWs) bands (ev): -45.0710 -45.0710 -45.0708 -45.0708 -21.8907 -21.8907 -21.8822 -21.8822 -21.2954 -21.2954 -21.2704 -21.2704 -21.1495 -21.1495 -21.1320 -21.1320 6.3886 6.3886 6.5033 6.5033 10.1914 10.1914 10.2175 10.2175 11.4175 11.4175 11.6056 11.6056 13.2643 13.2643 13.2996 13.2996 14.8386 14.8386 k = 0.4434 0.5000 0.3236 ( 3348 PWs) bands (ev): -45.0706 -45.0706 -45.0705 -45.0705 -21.8907 -21.8907 -21.8836 -21.8836 -21.2945 -21.2945 -21.2729 -21.2729 -21.1491 -21.1491 -21.1341 -21.1341 6.4120 6.4120 6.4968 6.4968 10.1795 10.1795 10.1987 10.1987 11.4520 11.4520 11.5920 11.5920 13.2613 13.2613 13.2881 13.2881 14.8910 14.8910 k = 0.4528 0.5000 0.3236 ( 3356 PWs) bands (ev): -45.0703 -45.0703 -45.0702 -45.0702 -21.8907 -21.8907 -21.8849 -21.8849 -21.2935 -21.2935 -21.2754 -21.2754 -21.1486 -21.1486 -21.1361 -21.1361 6.4321 6.4321 6.4913 6.4913 10.1694 10.1694 10.1828 10.1828 11.4821 11.4821 11.5804 11.5804 13.2579 13.2579 13.2771 13.2771 14.9400 14.9400 k = 0.4623 0.5000 0.3236 ( 3360 PWs) bands (ev): -45.0700 -45.0700 -45.0700 -45.0700 -21.8906 -21.8906 -21.8860 -21.8860 -21.2923 -21.2923 -21.2778 -21.2778 -21.1479 -21.1479 -21.1379 -21.1379 6.4486 6.4486 6.4867 6.4867 10.1611 10.1611 10.1697 10.1697 11.5073 11.5073 11.5709 11.5709 13.2545 13.2545 13.2673 13.2673 14.9837 14.9837 k = 0.4717 0.5000 0.3236 ( 3360 PWs) bands (ev): -45.0698 -45.0698 -45.0698 -45.0698 -21.8904 -21.8904 -21.8871 -21.8871 -21.2909 -21.2909 -21.2800 -21.2800 -21.1471 -21.1471 -21.1396 -21.1396 6.4616 6.4616 6.4832 6.4832 10.1547 10.1547 10.1595 10.1595 11.5274 11.5274 11.5634 11.5634 13.2516 13.2516 13.2591 13.2591 15.0204 15.0204 k = 0.4811 0.5000 0.3236 ( 3360 PWs) bands (ev): -45.0697 -45.0697 -45.0696 -45.0696 -21.8901 -21.8901 -21.8879 -21.8879 -21.2894 -21.2894 -21.2821 -21.2821 -21.1461 -21.1461 -21.1411 -21.1411 6.4710 6.4710 6.4806 6.4806 10.1501 10.1501 10.1522 10.1522 11.5420 11.5420 11.5581 11.5581 13.2493 13.2493 13.2529 13.2529 15.0483 15.0483 k = 0.4906 0.5000 0.3236 ( 3356 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.8898 -21.8898 -21.8887 -21.8887 -21.2878 -21.2878 -21.2842 -21.2842 -21.1451 -21.1451 -21.1426 -21.1426 6.4766 6.4766 6.4791 6.4791 10.1473 10.1473 10.1478 10.1478 11.5508 11.5508 11.5549 11.5549 13.2479 13.2479 13.2490 13.2490 15.0657 15.0693 k = 0.5000 0.5000 0.3236 ( 3360 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8893 -21.8893 -21.8893 -21.8893 -21.2860 -21.2860 -21.2860 -21.2860 -21.1439 -21.1439 -21.1439 -21.1439 6.4785 6.4785 6.4785 6.4785 10.1464 10.1464 10.1464 10.1464 11.5538 11.5538 11.5538 11.5538 13.2476 13.2476 13.2476 13.2476 15.0718 15.0718 k = 0.5000 0.5000 0.3236 ( 3360 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8893 -21.8893 -21.8893 -21.8893 -21.2860 -21.2860 -21.2860 -21.2860 -21.1439 -21.1439 -21.1439 -21.1439 6.4785 6.4785 6.4785 6.4785 10.1464 10.1464 10.1464 10.1464 11.5538 11.5538 11.5538 11.5538 13.2476 13.2476 13.2476 13.2476 15.0718 15.0718 k = 0.4933 0.4933 0.3236 ( 3358 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.8898 -21.8898 -21.8887 -21.8887 -21.2878 -21.2878 -21.2842 -21.2842 -21.1451 -21.1451 -21.1426 -21.1426 6.4775 6.4775 6.4782 6.4782 10.1475 10.1475 10.1476 10.1476 11.5525 11.5525 11.5532 11.5532 13.2481 13.2481 13.2488 13.2488 15.0672 15.0682 k = 0.4867 0.4867 0.3236 ( 3362 PWs) bands (ev): -45.0697 -45.0697 -45.0697 -45.0697 -21.8901 -21.8901 -21.8879 -21.8879 -21.2894 -21.2894 -21.2821 -21.2821 -21.1461 -21.1461 -21.1411 -21.1411 6.4751 6.4751 6.4765 6.4765 10.1510 10.1510 10.1512 10.1512 11.5493 11.5493 11.5508 11.5508 13.2504 13.2504 13.2519 13.2519 15.0543 15.0543 k = 0.4800 0.4800 0.3236 ( 3362 PWs) bands (ev): -45.0698 -45.0698 -45.0698 -45.0698 -21.8904 -21.8904 -21.8871 -21.8871 -21.2909 -21.2909 -21.2800 -21.2800 -21.1471 -21.1471 -21.1396 -21.1396 6.4714 6.4714 6.4734 6.4734 10.1569 10.1569 10.1572 10.1572 11.5444 11.5444 11.5465 11.5465 13.2544 13.2544 13.2565 13.2565 15.0340 15.0340 k = 0.4733 0.4733 0.3236 ( 3362 PWs) bands (ev): -45.0700 -45.0700 -45.0700 -45.0700 -21.8905 -21.8905 -21.8861 -21.8861 -21.2923 -21.2923 -21.2778 -21.2778 -21.1478 -21.1478 -21.1379 -21.1379 6.4663 6.4663 6.4689 6.4689 10.1651 10.1651 10.1655 10.1655 11.5377 11.5377 11.5404 11.5404 13.2599 13.2599 13.2628 13.2628 15.0067 15.0067 k = 0.4667 0.4667 0.3236 ( 3350 PWs) bands (ev): -45.0702 -45.0702 -45.0702 -45.0702 -21.8905 -21.8905 -21.8850 -21.8850 -21.2935 -21.2935 -21.2754 -21.2754 -21.1485 -21.1485 -21.1361 -21.1361 6.4598 6.4598 6.4630 6.4630 10.1757 10.1757 10.1761 10.1761 11.5294 11.5294 11.5328 11.5328 13.2668 13.2668 13.2703 13.2703 14.9733 14.9733 k = 0.4600 0.4600 0.3236 ( 3346 PWs) bands (ev): -45.0705 -45.0705 -45.0705 -45.0705 -21.8904 -21.8904 -21.8839 -21.8839 -21.2945 -21.2945 -21.2729 -21.2729 -21.1490 -21.1490 -21.1342 -21.1342 6.4520 6.4520 6.4558 6.4558 10.1885 10.1885 10.1890 10.1890 11.5197 11.5197 11.5237 11.5237 13.2748 13.2748 13.2789 13.2789 14.9346 14.9346 k = 0.4533 0.4533 0.3236 ( 3352 PWs) bands (ev): -45.0709 -45.0709 -45.0709 -45.0709 -21.8901 -21.8901 -21.8826 -21.8826 -21.2954 -21.2954 -21.2704 -21.2704 -21.1494 -21.1494 -21.1322 -21.1322 6.4428 6.4428 6.4473 6.4473 10.2035 10.2035 10.2041 10.2041 11.5088 11.5088 11.5134 11.5134 13.2837 13.2837 13.2884 13.2884 14.8914 14.8914 k = 0.4467 0.4467 0.3236 ( 3352 PWs) bands (ev): -45.0713 -45.0713 -45.0713 -45.0713 -21.8897 -21.8897 -21.8811 -21.8811 -21.2961 -21.2961 -21.2677 -21.2677 -21.1497 -21.1497 -21.1302 -21.1302 6.4322 6.4322 6.4373 6.4373 10.2207 10.2207 10.2214 10.2214 11.4968 11.4968 11.5020 11.5020 13.2931 13.2931 13.2984 13.2984 14.8447 14.8447 k = 0.4400 0.4400 0.3236 ( 3352 PWs) bands (ev): -45.0718 -45.0718 -45.0718 -45.0718 -21.8892 -21.8892 -21.8796 -21.8796 -21.2967 -21.2967 -21.2649 -21.2649 -21.1498 -21.1498 -21.1280 -21.1280 6.4203 6.4203 6.4260 6.4260 10.2399 10.2399 10.2407 10.2407 11.4841 11.4841 11.4898 11.4898 13.3027 13.3027 13.3085 13.3085 14.7950 14.7950 k = 0.4333 0.4333 0.3236 ( 3356 PWs) bands (ev): -45.0723 -45.0723 -45.0723 -45.0723 -21.8886 -21.8886 -21.8780 -21.8780 -21.2972 -21.2972 -21.2620 -21.2620 -21.1497 -21.1497 -21.1257 -21.1257 6.4071 6.4071 6.4134 6.4134 10.2612 10.2612 10.2621 10.2621 11.4707 11.4707 11.4769 11.4769 13.3123 13.3123 13.3186 13.3186 14.7430 14.7430 k = 0.4267 0.4267 0.3236 ( 3350 PWs) bands (ev): -45.0728 -45.0728 -45.0728 -45.0728 -21.8879 -21.8879 -21.8763 -21.8763 -21.2974 -21.2974 -21.2591 -21.2591 -21.1496 -21.1496 -21.1233 -21.1233 6.3925 6.3925 6.3994 6.3994 10.2844 10.2844 10.2854 10.2854 11.4570 11.4570 11.4635 11.4635 13.3214 13.3214 13.3281 13.3281 14.6892 14.6892 k = 0.4200 0.4200 0.3236 ( 3346 PWs) bands (ev): -45.0734 -45.0734 -45.0734 -45.0734 -21.8870 -21.8870 -21.8745 -21.8745 -21.2975 -21.2975 -21.2561 -21.2561 -21.1493 -21.1493 -21.1209 -21.1209 6.3766 6.3766 6.3840 6.3840 10.3094 10.3094 10.3105 10.3105 11.4431 11.4431 11.4500 11.4500 13.3297 13.3297 13.3368 13.3368 14.6342 14.6342 k = 0.4133 0.4133 0.3236 ( 3342 PWs) bands (ev): -45.0741 -45.0741 -45.0741 -45.0741 -21.8860 -21.8860 -21.8725 -21.8725 -21.2974 -21.2974 -21.2529 -21.2529 -21.1488 -21.1488 -21.1184 -21.1184 6.3594 6.3594 6.3674 6.3674 10.3361 10.3361 10.3372 10.3372 11.4293 11.4293 11.4365 11.4365 13.3369 13.3369 13.3444 13.3444 14.5783 14.5783 k = 0.4067 0.4067 0.3236 ( 3342 PWs) bands (ev): -45.0748 -45.0748 -45.0748 -45.0748 -21.8849 -21.8849 -21.8705 -21.8705 -21.2972 -21.2972 -21.2497 -21.2497 -21.1483 -21.1483 -21.1158 -21.1158 6.3409 6.3409 6.3493 6.3493 10.3644 10.3644 10.3655 10.3655 11.4157 11.4157 11.4232 11.4232 13.3427 13.3427 13.3506 13.3506 14.5220 14.5220 k = 0.4000 0.4000 0.3236 ( 3338 PWs) bands (ev): -45.0756 -45.0756 -45.0756 -45.0756 -21.8837 -21.8837 -21.8684 -21.8684 -21.2968 -21.2968 -21.2465 -21.2465 -21.1476 -21.1476 -21.1131 -21.1131 6.3211 6.3211 6.3300 6.3300 10.3940 10.3940 10.3953 10.3953 11.4026 11.4026 11.4104 11.4104 13.3468 13.3468 13.3550 13.3550 14.4655 14.4655 k = 0.3933 0.3933 0.3236 ( 3342 PWs) bands (ev): -45.0764 -45.0764 -45.0764 -45.0764 -21.8823 -21.8823 -21.8662 -21.8662 -21.2962 -21.2962 -21.2431 -21.2431 -21.1468 -21.1468 -21.1104 -21.1104 6.3000 6.3000 6.3094 6.3094 10.4248 10.4248 10.4262 10.4262 11.3902 11.3902 11.3981 11.3981 13.3489 13.3489 13.3574 13.3574 14.4092 14.4092 k = 0.3867 0.3867 0.3236 ( 3342 PWs) bands (ev): -45.0772 -45.0772 -45.0772 -45.0772 -21.8809 -21.8809 -21.8640 -21.8640 -21.2955 -21.2955 -21.2397 -21.2397 -21.1458 -21.1458 -21.1077 -21.1077 6.2777 6.2777 6.2875 6.2875 10.4567 10.4567 10.4581 10.4581 11.3787 11.3787 11.3867 11.3867 13.3489 13.3489 13.3576 13.3576 14.3532 14.3532 k = 0.3800 0.3800 0.3236 ( 3342 PWs) bands (ev): -45.0781 -45.0781 -45.0781 -45.0781 -21.8793 -21.8793 -21.8616 -21.8616 -21.2945 -21.2945 -21.2362 -21.2362 -21.1448 -21.1448 -21.1048 -21.1048 6.2541 6.2541 6.2644 6.2644 10.4893 10.4893 10.4908 10.4908 11.3682 11.3682 11.3764 11.3764 13.3466 13.3466 13.3555 13.3555 14.2977 14.2977 k = 0.3733 0.3733 0.3236 ( 3340 PWs) bands (ev): -45.0790 -45.0790 -45.0790 -45.0790 -21.8776 -21.8776 -21.8592 -21.8592 -21.2934 -21.2934 -21.2327 -21.2327 -21.1436 -21.1436 -21.1020 -21.1020 6.2293 6.2293 6.2400 6.2400 10.5224 10.5224 10.5241 10.5241 11.3590 11.3590 11.3672 11.3672 13.3419 13.3419 13.3509 13.3509 14.2430 14.2430 k = 0.3667 0.3667 0.3236 ( 3338 PWs) bands (ev): -45.0800 -45.0800 -45.0800 -45.0800 -21.8758 -21.8758 -21.8567 -21.8567 -21.2922 -21.2922 -21.2290 -21.2290 -21.1423 -21.1423 -21.0991 -21.0991 6.2033 6.2033 6.2143 6.2143 10.5558 10.5558 10.5576 10.5576 11.3514 11.3514 11.3596 11.3596 13.3348 13.3348 13.3439 13.3439 14.1891 14.1891 k = 0.3600 0.3600 0.3236 ( 3338 PWs) bands (ev): -45.0810 -45.0810 -45.0810 -45.0810 -21.8739 -21.8739 -21.8541 -21.8541 -21.2908 -21.2908 -21.2254 -21.2254 -21.1409 -21.1409 -21.0962 -21.0962 6.1762 6.1762 6.1875 6.1875 10.5891 10.5891 10.5910 10.5910 11.3454 11.3454 11.3535 11.3535 13.3252 13.3252 13.3345 13.3345 14.1362 14.1362 k = 0.3533 0.3533 0.3236 ( 3342 PWs) bands (ev): -45.0820 -45.0820 -45.0820 -45.0820 -21.8719 -21.8719 -21.8515 -21.8515 -21.2892 -21.2892 -21.2217 -21.2217 -21.1394 -21.1394 -21.0932 -21.0932 6.1479 6.1479 6.1595 6.1595 10.6219 10.6219 10.6239 10.6239 11.3415 11.3415 11.3494 11.3494 13.3134 13.3134 13.3227 13.3227 14.0844 14.0844 k = 0.3467 0.3467 0.3236 ( 3334 PWs) bands (ev): -45.0831 -45.0831 -45.0831 -45.0831 -21.8698 -21.8698 -21.8488 -21.8488 -21.2874 -21.2874 -21.2179 -21.2179 -21.1378 -21.1378 -21.0902 -21.0902 6.1185 6.1185 6.1304 6.1304 10.6538 10.6538 10.6561 10.6561 11.3397 11.3397 11.3475 11.3475 13.2996 13.2996 13.3088 13.3088 14.0337 14.0337 k = 0.3400 0.3400 0.3236 ( 3332 PWs) bands (ev): -45.0842 -45.0842 -45.0842 -45.0842 -21.8676 -21.8676 -21.8460 -21.8460 -21.2855 -21.2855 -21.2141 -21.2141 -21.1361 -21.1361 -21.0872 -21.0872 6.0880 6.0880 6.1002 6.1002 10.6845 10.6845 10.6869 10.6869 11.3404 11.3404 11.3479 11.3479 13.2839 13.2839 13.2931 13.2931 13.9835 13.9835 k = 0.3333 0.3333 0.3236 ( 3332 PWs) bands (ev): -45.0853 -45.0853 -45.0853 -45.0853 -21.8653 -21.8653 -21.8432 -21.8432 -21.2835 -21.2835 -21.2103 -21.2103 -21.1343 -21.1343 -21.0842 -21.0842 6.0565 6.0565 6.0690 6.0690 10.7134 10.7134 10.7161 10.7161 11.3437 11.3437 11.3508 11.3508 13.2667 13.2667 13.2757 13.2757 13.9345 13.9345 k = 0.3267 0.3267 0.3236 ( 3336 PWs) bands (ev): -45.0865 -45.0865 -45.0865 -45.0865 -21.8629 -21.8629 -21.8404 -21.8404 -21.2812 -21.2812 -21.2064 -21.2064 -21.1324 -21.1324 -21.0811 -21.0811 6.0240 6.0240 6.0367 6.0367 10.7402 10.7402 10.7433 10.7433 11.3499 11.3499 11.3566 11.3566 13.2483 13.2483 13.2572 13.2572 13.8869 13.8869 k = 0.3200 0.3200 0.3236 ( 3336 PWs) bands (ev): -45.0877 -45.0877 -45.0877 -45.0877 -21.8604 -21.8604 -21.8375 -21.8375 -21.2789 -21.2789 -21.2026 -21.2026 -21.1305 -21.1305 -21.0781 -21.0781 5.9906 5.9906 6.0034 6.0034 10.7646 10.7646 10.7679 10.7679 11.3590 11.3590 11.3652 11.3652 13.2293 13.2293 13.2380 13.2380 13.8406 13.8406 k = 0.3133 0.3133 0.3236 ( 3328 PWs) bands (ev): -45.0889 -45.0889 -45.0889 -45.0889 -21.8578 -21.8578 -21.8345 -21.8345 -21.2764 -21.2764 -21.1987 -21.1987 -21.1284 -21.1284 -21.0751 -21.0751 5.9562 5.9562 5.9692 5.9692 10.7862 10.7862 10.7899 10.7899 11.3710 11.3710 11.3767 11.3767 13.2099 13.2099 13.2184 13.2184 13.7959 13.7959 k = 0.3067 0.3067 0.3236 ( 3324 PWs) bands (ev): -45.0901 -45.0901 -45.0901 -45.0901 -21.8552 -21.8552 -21.8315 -21.8315 -21.2737 -21.2737 -21.1948 -21.1948 -21.1263 -21.1263 -21.0720 -21.0720 5.9211 5.9211 5.9342 5.9342 10.8048 10.8048 10.8088 10.8088 11.3859 11.3859 11.3909 11.3909 13.1908 13.1908 13.1989 13.1989 13.7528 13.7562 k = 0.3000 0.3000 0.3236 ( 3324 PWs) bands (ev): -45.0914 -45.0914 -45.0914 -45.0914 -21.8525 -21.8525 -21.8285 -21.8285 -21.2710 -21.2710 -21.1908 -21.1908 -21.1241 -21.1241 -21.0690 -21.0690 5.8851 5.8851 5.8983 5.8983 10.8204 10.8204 10.8248 10.8248 11.4034 11.4034 11.4078 11.4078 13.1723 13.1723 13.1800 13.1800 13.7109 13.7109 k = 0.2933 0.2933 0.3236 ( 3324 PWs) bands (ev): -45.0926 -45.0926 -45.0926 -45.0926 -21.8497 -21.8497 -21.8255 -21.8255 -21.2681 -21.2681 -21.1869 -21.1869 -21.1218 -21.1218 -21.0659 -21.0659 5.8484 5.8484 5.8617 5.8617 10.8330 10.8330 10.8377 10.8377 11.4231 11.4231 11.4269 11.4269 13.1549 13.1549 13.1622 13.1622 13.6709 13.6709 k = 0.2867 0.2867 0.3236 ( 3332 PWs) bands (ev): -45.0939 -45.0939 -45.0939 -45.0939 -21.8468 -21.8468 -21.8224 -21.8224 -21.2650 -21.2650 -21.1831 -21.1831 -21.1194 -21.1194 -21.0629 -21.0629 5.8110 5.8110 5.8243 5.8243 10.8428 10.8428 10.8477 10.8477 11.4446 11.4446 11.4477 11.4477 13.1391 13.1391 13.1459 13.1459 13.6326 13.6326 k = 0.2800 0.2800 0.3236 ( 3328 PWs) bands (ev): -45.0952 -45.0952 -45.0952 -45.0952 -21.8439 -21.8439 -21.8194 -21.8194 -21.2619 -21.2619 -21.1792 -21.1792 -21.1170 -21.1170 -21.0599 -21.0599 5.7730 5.7730 5.7863 5.7863 10.8499 10.8499 10.8550 10.8550 11.4673 11.4673 11.4697 11.4697 13.1253 13.1253 13.1316 13.1316 13.5962 13.5962 k = 0.2733 0.2733 0.3236 ( 3326 PWs) bands (ev): -45.0965 -45.0965 -45.0965 -45.0965 -21.8409 -21.8409 -21.8163 -21.8163 -21.2587 -21.2587 -21.1754 -21.1754 -21.1145 -21.1145 -21.0570 -21.0570 5.7344 5.7344 5.7478 5.7478 10.8546 10.8546 10.8599 10.8599 11.4907 11.4907 11.4925 11.4925 13.1139 13.1139 13.1196 13.1196 13.5616 13.5616 k = 0.2667 0.2667 0.3236 ( 3326 PWs) bands (ev): -45.0978 -45.0978 -45.0978 -45.0978 -21.8379 -21.8379 -21.8132 -21.8132 -21.2553 -21.2553 -21.1716 -21.1716 -21.1119 -21.1119 -21.0540 -21.0540 5.6954 5.6954 5.7087 5.7087 10.8572 10.8572 10.8626 10.8626 11.5142 11.5142 11.5154 11.5154 13.1052 13.1052 13.1104 13.1104 13.5290 13.5290 k = 0.2600 0.2600 0.3236 ( 3326 PWs) bands (ev): -45.0992 -45.0992 -45.0992 -45.0992 -21.8348 -21.8348 -21.8101 -21.8101 -21.2519 -21.2519 -21.1679 -21.1679 -21.1092 -21.1092 -21.0511 -21.0511 5.6559 5.6559 5.6692 5.6692 10.8578 10.8578 10.8632 10.8632 11.5373 11.5373 11.5379 11.5379 13.0995 13.0995 13.1041 13.1041 13.4985 13.4985 k = 0.2533 0.2533 0.3236 ( 3322 PWs) bands (ev): -45.1005 -45.1005 -45.1005 -45.1005 -21.8317 -21.8317 -21.8070 -21.8070 -21.2484 -21.2484 -21.1643 -21.1643 -21.1064 -21.1064 -21.0482 -21.0482 5.6161 5.6161 5.6293 5.6293 10.8567 10.8567 10.8621 10.8621 11.5597 11.5597 11.5598 11.5598 13.0969 13.0969 13.1009 13.1009 13.4700 13.4700 k = 0.2467 0.2467 0.3236 ( 3318 PWs) bands (ev): -45.1018 -45.1018 -45.1018 -45.1018 -21.8285 -21.8285 -21.8039 -21.8039 -21.2448 -21.2448 -21.1608 -21.1608 -21.1036 -21.1036 -21.0454 -21.0454 5.5761 5.5761 5.5891 5.5891 10.8541 10.8541 10.8595 10.8595 11.5805 11.5805 11.5809 11.5809 13.0977 13.0977 13.1011 13.1011 13.4436 13.4436 k = 0.2400 0.2400 0.3236 ( 3322 PWs) bands (ev): -45.1032 -45.1032 -45.1032 -45.1032 -21.8253 -21.8253 -21.8008 -21.8008 -21.2412 -21.2412 -21.1573 -21.1573 -21.1007 -21.1007 -21.0425 -21.0425 5.5358 5.5358 5.5487 5.5487 10.8501 10.8501 10.8554 10.8554 11.5998 11.5998 11.6008 11.6008 13.1018 13.1018 13.1046 13.1046 13.4195 13.4195 k = 0.2333 0.2333 0.3236 ( 3322 PWs) bands (ev): -45.1045 -45.1045 -45.1045 -45.1045 -21.8221 -21.8221 -21.7977 -21.7977 -21.2375 -21.2375 -21.1540 -21.1540 -21.0977 -21.0977 -21.0398 -21.0398 5.4954 5.4954 5.5081 5.5081 10.8449 10.8449 10.8501 10.8501 11.6176 11.6176 11.6190 11.6190 13.1092 13.1092 13.1114 13.1114 13.3976 13.3976 k = 0.2267 0.2267 0.3236 ( 3318 PWs) bands (ev): -45.1058 -45.1058 -45.1058 -45.1058 -21.8189 -21.8189 -21.7947 -21.7947 -21.2337 -21.2337 -21.1508 -21.1508 -21.0946 -21.0946 -21.0371 -21.0371 5.4550 5.4550 5.4675 5.4675 10.8386 10.8386 10.8436 10.8436 11.6338 11.6338 11.6357 11.6357 13.1197 13.1197 13.1213 13.1213 13.3780 13.3780 k = 0.2200 0.2200 0.3236 ( 3322 PWs) bands (ev): -45.1071 -45.1071 -45.1071 -45.1071 -21.8156 -21.8156 -21.7916 -21.7916 -21.2299 -21.2299 -21.1477 -21.1477 -21.0914 -21.0914 -21.0344 -21.0344 5.4145 5.4145 5.4269 5.4269 10.8313 10.8313 10.8362 10.8362 11.6484 11.6484 11.6506 11.6506 13.1330 13.1330 13.1340 13.1340 13.3607 13.3607 k = 0.2133 0.2133 0.3236 ( 3322 PWs) bands (ev): -45.1084 -45.1084 -45.1084 -45.1084 -21.8124 -21.8124 -21.7886 -21.7886 -21.2260 -21.2260 -21.1448 -21.1448 -21.0882 -21.0882 -21.0318 -21.0318 5.3743 5.3743 5.3864 5.3864 10.8232 10.8232 10.8279 10.8279 11.6614 11.6614 11.6640 11.6640 13.1486 13.1486 13.1491 13.1491 13.3459 13.3459 k = 0.2067 0.2067 0.3236 ( 3326 PWs) bands (ev): -45.1097 -45.1097 -45.1097 -45.1097 -21.8091 -21.8091 -21.7857 -21.7857 -21.2222 -21.2222 -21.1419 -21.1419 -21.0849 -21.0849 -21.0292 -21.0292 5.3342 5.3342 5.3461 5.3461 10.8142 10.8142 10.8188 10.8188 11.6730 11.6730 11.6760 11.6760 13.1660 13.1660 13.1662 13.1662 13.3337 13.3337 k = 0.2000 0.2000 0.3236 ( 3322 PWs) bands (ev): -45.1110 -45.1110 -45.1110 -45.1110 -21.8058 -21.8058 -21.7828 -21.7828 -21.2183 -21.2183 -21.1393 -21.1393 -21.0815 -21.0815 -21.0267 -21.0267 5.2943 5.2943 5.3060 5.3060 10.8046 10.8046 10.8089 10.8089 11.6834 11.6834 11.6867 11.6867 13.1839 13.1839 13.1848 13.1848 13.3246 13.3246 k = 0.1933 0.1933 0.3236 ( 3314 PWs) bands (ev): -45.1123 -45.1123 -45.1123 -45.1123 -21.8026 -21.8026 -21.7799 -21.7799 -21.2144 -21.2144 -21.1368 -21.1368 -21.0781 -21.0781 -21.0243 -21.0243 5.2549 5.2549 5.2663 5.2663 10.7944 10.7944 10.7985 10.7985 11.6926 11.6926 11.6962 11.6962 13.2017 13.2017 13.2035 13.2035 13.3190 13.3190 k = 0.1867 0.1867 0.3236 ( 3310 PWs) bands (ev): -45.1135 -45.1135 -45.1135 -45.1135 -21.7994 -21.7994 -21.7771 -21.7771 -21.2105 -21.2105 -21.1344 -21.1344 -21.0747 -21.0747 -21.0219 -21.0219 5.2159 5.2159 5.2270 5.2270 10.7837 10.7837 10.7876 10.7876 11.7010 11.7010 11.7049 11.7049 13.2178 13.2178 13.2207 13.2207 13.3183 13.3183 k = 0.1800 0.1800 0.3236 ( 3304 PWs) bands (ev): -45.1147 -45.1147 -45.1147 -45.1147 -21.7962 -21.7962 -21.7744 -21.7744 -21.2066 -21.2066 -21.1322 -21.1322 -21.0712 -21.0712 -21.0196 -21.0196 5.1774 5.1774 5.1882 5.1882 10.7725 10.7725 10.7762 10.7762 11.7087 11.7087 11.7128 11.7128 13.2301 13.2301 13.2345 13.2345 13.3236 13.3236 k = 0.1733 0.1733 0.3236 ( 3304 PWs) bands (ev): -45.1159 -45.1159 -45.1159 -45.1159 -21.7930 -21.7930 -21.7717 -21.7717 -21.2027 -21.2027 -21.1301 -21.1301 -21.0676 -21.0676 -21.0174 -21.0174 5.1395 5.1395 5.1499 5.1499 10.7610 10.7610 10.7645 10.7645 11.7160 11.7160 11.7202 11.7202 13.2379 13.2379 13.2437 13.2437 13.3354 13.3354 k = 0.1667 0.1667 0.3236 ( 3308 PWs) bands (ev): -45.1171 -45.1171 -45.1171 -45.1171 -21.7898 -21.7898 -21.7691 -21.7691 -21.1988 -21.1988 -21.1282 -21.1282 -21.0641 -21.0641 -21.0153 -21.0153 5.1022 5.1022 5.1124 5.1124 10.7493 10.7493 10.7526 10.7526 11.7229 11.7229 11.7273 11.7273 13.2419 13.2419 13.2488 13.2488 13.3523 13.3523 k = 0.1600 0.1600 0.3236 ( 3300 PWs) bands (ev): -45.1183 -45.1183 -45.1183 -45.1183 -21.7867 -21.7867 -21.7665 -21.7665 -21.1950 -21.1950 -21.1265 -21.1265 -21.0605 -21.0605 -21.0132 -21.0132 5.0658 5.0658 5.0756 5.0756 10.7374 10.7374 10.7405 10.7405 11.7297 11.7297 11.7343 11.7343 13.2436 13.2436 13.2512 13.2512 13.3722 13.3722 k = 0.1533 0.1533 0.3236 ( 3292 PWs) bands (ev): -45.1194 -45.1194 -45.1194 -45.1194 -21.7837 -21.7837 -21.7641 -21.7641 -21.1912 -21.1912 -21.1249 -21.1249 -21.0570 -21.0570 -21.0113 -21.0113 5.0301 5.0301 5.0396 5.0396 10.7254 10.7254 10.7283 10.7283 11.7364 11.7364 11.7412 11.7412 13.2442 13.2442 13.2523 13.2523 13.3934 13.3934 k = 0.1467 0.1467 0.3236 ( 3296 PWs) bands (ev): -45.1205 -45.1205 -45.1205 -45.1205 -21.7807 -21.7807 -21.7617 -21.7617 -21.1874 -21.1874 -21.1234 -21.1234 -21.0534 -21.0534 -21.0094 -21.0094 4.9954 4.9954 5.0045 5.0045 10.7134 10.7134 10.7161 10.7161 11.7433 11.7433 11.7482 11.7482 13.2444 13.2444 13.2528 13.2528 13.4147 13.4147 k = 0.1400 0.1400 0.3236 ( 3296 PWs) bands (ev): -45.1215 -45.1215 -45.1215 -45.1215 -21.7778 -21.7778 -21.7594 -21.7594 -21.1837 -21.1837 -21.1221 -21.1221 -21.0499 -21.0499 -21.0076 -21.0076 4.9617 4.9617 4.9705 4.9705 10.7014 10.7014 10.7039 10.7039 11.7504 11.7504 11.7554 11.7554 13.2443 13.2443 13.2529 13.2529 13.4355 13.4355 k = 0.1333 0.1333 0.3236 ( 3300 PWs) bands (ev): -45.1225 -45.1225 -45.1225 -45.1225 -21.7749 -21.7749 -21.7572 -21.7572 -21.1800 -21.1800 -21.1210 -21.1210 -21.0465 -21.0465 -21.0059 -21.0059 4.9290 4.9290 4.9374 4.9374 10.6896 10.6896 10.6919 10.6919 11.7578 11.7578 11.7629 11.7629 13.2441 13.2441 13.2528 13.2528 13.4551 13.4551 k = 0.1267 0.1267 0.3236 ( 3300 PWs) bands (ev): -45.1235 -45.1235 -45.1235 -45.1235 -21.7721 -21.7721 -21.7552 -21.7552 -21.1764 -21.1764 -21.1199 -21.1199 -21.0431 -21.0431 -21.0044 -21.0044 4.8975 4.8975 4.9055 4.9055 10.6779 10.6779 10.6801 10.6801 11.7656 11.7656 11.7707 11.7707 13.2437 13.2437 13.2525 13.2525 13.4734 13.4734 k = 0.1200 0.1200 0.3236 ( 3304 PWs) bands (ev): -45.1244 -45.1244 -45.1244 -45.1244 -21.7694 -21.7694 -21.7532 -21.7532 -21.1729 -21.1729 -21.1190 -21.1190 -21.0397 -21.0397 -21.0029 -21.0029 4.8671 4.8671 4.8747 4.8747 10.6666 10.6666 10.6686 10.6686 11.7737 11.7737 11.7788 11.7788 13.2430 13.2430 13.2517 13.2517 13.4900 13.4900 k = 0.1133 0.1133 0.3236 ( 3306 PWs) bands (ev): -45.1253 -45.1253 -45.1253 -45.1253 -21.7668 -21.7668 -21.7513 -21.7513 -21.1694 -21.1694 -21.1183 -21.1183 -21.0365 -21.0365 -21.0015 -21.0015 4.8380 4.8380 4.8452 4.8452 10.6555 10.6555 10.6574 10.6574 11.7822 11.7822 11.7873 11.7873 13.2418 13.2418 13.2505 13.2505 13.5049 13.5049 k = 0.1067 0.1067 0.3236 ( 3306 PWs) bands (ev): -45.1262 -45.1262 -45.1262 -45.1262 -21.7642 -21.7642 -21.7495 -21.7495 -21.1661 -21.1661 -21.1177 -21.1177 -21.0333 -21.0333 -21.0003 -21.0003 4.8103 4.8103 4.8171 4.8171 10.6448 10.6448 10.6466 10.6466 11.7910 11.7910 11.7962 11.7962 13.2400 13.2400 13.2487 13.2487 13.5181 13.5181 k = 0.1000 0.1000 0.3236 ( 3302 PWs) bands (ev): -45.1270 -45.1270 -45.1270 -45.1270 -21.7618 -21.7618 -21.7479 -21.7479 -21.1628 -21.1628 -21.1172 -21.1172 -21.0302 -21.0302 -20.9992 -20.9992 4.7839 4.7839 4.7903 4.7903 10.6346 10.6346 10.6362 10.6362 11.8002 11.8002 11.8053 11.8053 13.2375 13.2375 13.2461 13.2461 13.5295 13.5295 k = 0.0933 0.0933 0.3236 ( 3314 PWs) bands (ev): -45.1278 -45.1278 -45.1278 -45.1278 -21.7594 -21.7594 -21.7464 -21.7464 -21.1596 -21.1596 -21.1169 -21.1169 -21.0272 -21.0272 -20.9982 -20.9982 4.7589 4.7589 4.7649 4.7649 10.6248 10.6248 10.6262 10.6262 11.8096 11.8096 11.8146 11.8146 13.2342 13.2342 13.2426 13.2426 13.5394 13.5394 k = 0.0867 0.0867 0.3236 ( 3316 PWs) bands (ev): -45.1285 -45.1285 -45.1285 -45.1285 -21.7572 -21.7572 -21.7450 -21.7450 -21.1564 -21.1564 -21.1166 -21.1166 -21.0243 -21.0243 -20.9973 -20.9973 4.7355 4.7355 4.7411 4.7411 10.6155 10.6155 10.6168 10.6168 11.8193 11.8193 11.8242 11.8242 13.2300 13.2300 13.2382 13.2382 13.5479 13.5479 k = 0.0800 0.0800 0.3236 ( 3308 PWs) bands (ev): -45.1292 -45.1292 -45.1292 -45.1292 -21.7550 -21.7550 -21.7437 -21.7437 -21.1534 -21.1534 -21.1166 -21.1166 -21.0215 -21.0215 -20.9965 -20.9965 4.7136 4.7136 4.7188 4.7188 10.6068 10.6068 10.6080 10.6080 11.8290 11.8290 11.8338 11.8338 13.2250 13.2250 13.2329 13.2329 13.5551 13.5551 k = 0.0733 0.0733 0.3236 ( 3312 PWs) bands (ev): -45.1298 -45.1298 -45.1298 -45.1298 -21.7530 -21.7530 -21.7426 -21.7426 -21.1505 -21.1505 -21.1166 -21.1166 -21.0188 -21.0188 -20.9959 -20.9959 4.6933 4.6933 4.6980 4.6980 10.5986 10.5986 10.5997 10.5997 11.8388 11.8388 11.8434 11.8434 13.2191 13.2191 13.2267 13.2267 13.5612 13.5612 k = 0.0667 0.0667 0.3236 ( 3314 PWs) bands (ev): -45.1304 -45.1304 -45.1304 -45.1304 -21.7511 -21.7511 -21.7416 -21.7416 -21.1477 -21.1477 -21.1168 -21.1168 -21.0163 -21.0163 -20.9954 -20.9954 4.6746 4.6746 4.6789 4.6789 10.5911 10.5911 10.5921 10.5921 11.8485 11.8485 11.8529 11.8529 13.2126 13.2126 13.2198 13.2198 13.5665 13.5665 k = 0.0600 0.0600 0.3236 ( 3314 PWs) bands (ev): -45.1309 -45.1309 -45.1309 -45.1309 -21.7493 -21.7493 -21.7407 -21.7407 -21.1450 -21.1450 -21.1171 -21.1171 -21.0138 -21.0138 -20.9951 -20.9951 4.6576 4.6576 4.6615 4.6615 10.5842 10.5842 10.5850 10.5850 11.8579 11.8579 11.8620 11.8620 13.2055 13.2055 13.2123 13.2123 13.5711 13.5711 k = 0.0533 0.0533 0.3236 ( 3310 PWs) bands (ev): -45.1313 -45.1313 -45.1313 -45.1313 -21.7476 -21.7476 -21.7399 -21.7399 -21.1424 -21.1424 -21.1176 -21.1176 -21.0116 -21.0116 -20.9948 -20.9948 4.6423 4.6423 4.6458 4.6458 10.5780 10.5780 10.5787 10.5787 11.8670 11.8670 11.8708 11.8708 13.1983 13.1983 13.2045 13.2045 13.5751 13.5751 k = 0.0467 0.0467 0.3236 ( 3310 PWs) bands (ev): -45.1318 -45.1318 -45.1318 -45.1318 -21.7461 -21.7461 -21.7394 -21.7394 -21.1399 -21.1399 -21.1182 -21.1182 -21.0094 -21.0094 -20.9948 -20.9948 4.6287 4.6287 4.6318 4.6318 10.5724 10.5724 10.5731 10.5731 11.8755 11.8755 11.8789 11.8789 13.1910 13.1910 13.1966 13.1966 13.5785 13.5785 k = 0.0400 0.0400 0.3236 ( 3306 PWs) bands (ev): -45.1321 -45.1321 -45.1321 -45.1321 -21.7447 -21.7447 -21.7389 -21.7389 -21.1376 -21.1376 -21.1189 -21.1189 -21.0074 -21.0074 -20.9948 -20.9948 4.6170 4.6170 4.6196 4.6196 10.5676 10.5676 10.5682 10.5682 11.8833 11.8833 11.8864 11.8864 13.1839 13.1839 13.1889 13.1889 13.5815 13.5815 k = 0.0333 0.0333 0.3236 ( 3310 PWs) bands (ev): -45.1324 -45.1324 -45.1324 -45.1324 -21.7435 -21.7435 -21.7386 -21.7386 -21.1353 -21.1353 -21.1197 -21.1197 -21.0055 -21.0055 -20.9951 -20.9951 4.6070 4.6070 4.6092 4.6092 10.5635 10.5635 10.5639 10.5639 11.8903 11.8903 11.8929 11.8929 13.1775 13.1775 13.1817 13.1817 13.5841 13.5841 k = 0.0267 0.0267 0.3236 ( 3306 PWs) bands (ev): -45.1327 -45.1327 -45.1327 -45.1327 -21.7423 -21.7423 -21.7384 -21.7384 -21.1332 -21.1332 -21.1207 -21.1207 -21.0038 -21.0038 -20.9954 -20.9954 4.5989 4.5989 4.6006 4.6006 10.5601 10.5601 10.5605 10.5605 11.8963 11.8963 11.8984 11.8984 13.1718 13.1718 13.1753 13.1753 13.5863 13.5863 k = 0.0200 0.0200 0.3236 ( 3306 PWs) bands (ev): -45.1329 -45.1329 -45.1329 -45.1329 -21.7413 -21.7413 -21.7384 -21.7384 -21.1312 -21.1312 -21.1218 -21.1218 -21.0022 -21.0022 -20.9959 -20.9959 4.5926 4.5926 4.5939 4.5939 10.5575 10.5575 10.5578 10.5578 11.9011 11.9011 11.9028 11.9028 13.1673 13.1673 13.1699 13.1699 13.5880 13.5880 k = 0.0133 0.0133 0.3236 ( 3306 PWs) bands (ev): -45.1330 -45.1330 -45.1330 -45.1330 -21.7405 -21.7405 -21.7385 -21.7385 -21.1293 -21.1293 -21.1231 -21.1231 -21.0008 -21.0008 -20.9966 -20.9966 4.5881 4.5881 4.5890 4.5890 10.5556 10.5556 10.5558 10.5558 11.9048 11.9048 11.9059 11.9059 13.1640 13.1640 13.1658 13.1658 13.5893 13.5893 k = 0.0067 0.0067 0.3236 ( 3302 PWs) bands (ev): -45.1331 -45.1331 -45.1331 -45.1331 -21.7398 -21.7398 -21.7388 -21.7388 -21.1276 -21.1276 -21.1244 -21.1244 -20.9995 -20.9995 -20.9974 -20.9974 4.5855 4.5855 4.5860 4.5860 10.5545 10.5545 10.5546 10.5546 11.9071 11.9071 11.9077 11.9077 13.1622 13.1622 13.1631 13.1631 13.5901 13.5901 k = 0.0000 0.0000 0.3236 ( 3304 PWs) bands (ev): -45.1331 -45.1331 -45.1331 -45.1331 -21.7392 -21.7392 -21.7392 -21.7392 -21.1259 -21.1259 -21.1259 -21.1259 -20.9984 -20.9984 -20.9984 -20.9984 4.5848 4.5848 4.5848 4.5848 10.5542 10.5542 10.5542 10.5542 11.9081 11.9081 11.9081 11.9081 13.1618 13.1618 13.1618 13.1618 13.5905 13.5905 k = 0.0000 0.5000-0.0000 ( 3328 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8602 -21.8602 -21.8073 -21.8073 -21.2542 -21.2542 -21.1999 -21.1999 -21.0758 -21.0758 -21.0035 -21.0035 5.0005 5.0005 6.6835 6.6835 9.6852 9.6852 11.1489 11.1489 11.3358 11.3358 11.7305 11.7305 13.1473 13.1473 13.2964 13.2964 13.4699 13.4699 k = 0.0000 0.5000 0.0092 ( 3330 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8603 -21.8603 -21.8073 -21.8073 -21.2542 -21.2542 -21.1999 -21.1999 -21.0757 -21.0757 -21.0035 -21.0035 4.9997 4.9997 6.6844 6.6844 9.6846 9.6846 11.1496 11.1496 11.3365 11.3365 11.7315 11.7315 13.1413 13.1413 13.2942 13.2942 13.4762 13.4762 k = 0.0000 0.5000 0.0185 ( 3326 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8606 -21.8606 -21.8074 -21.8074 -21.2542 -21.2542 -21.1998 -21.1998 -21.0755 -21.0755 -21.0034 -21.0034 4.9975 4.9975 6.6873 6.6873 9.6830 9.6830 11.1519 11.1519 11.3388 11.3388 11.7347 11.7347 13.1248 13.1248 13.2875 13.2875 13.4938 13.4938 k = 0.0000 0.5000 0.0277 ( 3334 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8610 -21.8610 -21.8075 -21.8075 -21.2542 -21.2542 -21.1997 -21.1997 -21.0752 -21.0752 -21.0031 -21.0031 4.9939 4.9939 6.6921 6.6921 9.6803 9.6803 11.1558 11.1558 11.3425 11.3425 11.7400 11.7400 13.1004 13.1004 13.2768 13.2768 13.5199 13.5199 k = 0.0000 0.5000 0.0370 ( 3322 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8616 -21.8616 -21.8078 -21.8078 -21.2542 -21.2542 -21.1997 -21.1997 -21.0747 -21.0747 -21.0028 -21.0028 4.9889 4.9889 6.6987 6.6987 9.6766 9.6766 11.1613 11.1613 11.3477 11.3477 11.7472 11.7472 13.0709 13.0709 13.2625 13.2625 13.5518 13.5518 k = 0.0000 0.5000 0.0462 ( 3318 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8623 -21.8623 -21.8080 -21.8080 -21.2542 -21.2542 -21.1995 -21.1995 -21.0741 -21.0741 -21.0024 -21.0024 4.9826 4.9826 6.7070 6.7070 9.6718 9.6718 11.1683 11.1683 11.3543 11.3543 11.7563 11.7563 13.0383 13.0383 13.2452 13.2452 13.5876 13.5876 k = 0.0000 0.5000 0.0555 ( 3318 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8632 -21.8632 -21.8084 -21.8084 -21.2543 -21.2543 -21.1994 -21.1994 -21.0734 -21.0734 -21.0019 -21.0019 4.9750 4.9750 6.7170 6.7170 9.6661 9.6661 11.1771 11.1771 11.3623 11.3623 11.7671 11.7671 13.0039 13.0039 13.2254 13.2254 13.6258 13.6258 k = 0.0000 0.5000 0.0647 ( 3318 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8643 -21.8643 -21.8088 -21.8088 -21.2543 -21.2543 -21.1992 -21.1992 -21.0726 -21.0726 -21.0014 -21.0014 4.9663 4.9663 6.7285 6.7285 9.6595 9.6595 11.1875 11.1875 11.3717 11.3717 11.7795 11.7795 12.9687 12.9687 13.2036 13.2036 13.6656 13.6656 k = 0.0000 0.5000 0.0740 ( 3318 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8655 -21.8655 -21.8092 -21.8092 -21.2543 -21.2543 -21.1990 -21.1990 -21.0716 -21.0716 -21.0007 -21.0007 4.9566 4.9566 6.7414 6.7414 9.6520 9.6520 11.1996 11.1996 11.3822 11.3822 11.7934 11.7934 12.9331 12.9331 13.1805 13.1805 13.7063 13.7063 k = 0.0000 0.5000 0.0832 ( 3306 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8668 -21.8668 -21.8097 -21.8097 -21.2544 -21.2544 -21.1988 -21.1988 -21.0706 -21.0706 -21.0000 -21.0000 4.9460 4.9460 6.7556 6.7556 9.6438 9.6438 11.2135 11.2135 11.3940 11.3940 11.8084 11.8084 12.8975 12.8975 13.1564 13.1564 13.7475 13.7475 k = 0.0000 0.5000 0.0925 ( 3316 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8682 -21.8682 -21.8102 -21.8102 -21.2544 -21.2544 -21.1986 -21.1986 -21.0695 -21.0695 -20.9992 -20.9992 4.9346 4.9346 6.7710 6.7710 9.6348 9.6348 11.2291 11.2291 11.4068 11.4068 11.8245 11.8245 12.8623 12.8623 13.1317 13.1317 13.7888 13.7888 k = 0.0000 0.5000 0.1017 ( 3314 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8697 -21.8697 -21.8108 -21.8108 -21.2545 -21.2545 -21.1983 -21.1983 -21.0683 -21.0683 -20.9984 -20.9984 4.9225 4.9225 6.7872 6.7872 9.6253 9.6253 11.2465 11.2465 11.4207 11.4207 11.8414 11.8414 12.8277 12.8277 13.1066 13.1066 13.8301 13.8301 k = 0.0000 0.5000 0.1109 ( 3302 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8712 -21.8712 -21.8115 -21.8115 -21.2545 -21.2545 -21.1981 -21.1981 -21.0671 -21.0671 -20.9975 -20.9975 4.9099 4.9099 6.8044 6.8044 9.6152 9.6152 11.2656 11.2656 11.4354 11.4354 11.8590 11.8590 12.7938 12.7938 13.0814 13.0814 13.8711 13.8711 k = 0.0000 0.5000 0.1202 ( 3302 PWs) bands (ev): -45.1031 -45.1031 -45.0988 -45.0988 -21.8729 -21.8729 -21.8122 -21.8122 -21.2546 -21.2546 -21.1978 -21.1978 -21.0657 -21.0657 -20.9966 -20.9966 4.8969 4.8969 6.8221 6.8221 9.6047 9.6047 11.2864 11.2864 11.4509 11.4509 11.8770 11.8770 12.7608 12.7608 13.0564 13.0564 13.9115 13.9115 k = 0.0000 0.5000 0.1294 ( 3306 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8746 -21.8746 -21.8129 -21.8129 -21.2546 -21.2546 -21.1975 -21.1975 -21.0644 -21.0644 -20.9956 -20.9956 4.8836 4.8836 6.8404 6.8404 9.5939 9.5939 11.3087 11.3087 11.4671 11.4671 11.8952 11.8952 12.7288 12.7288 13.0317 13.0317 13.9513 13.9513 k = 0.0000 0.5000 0.1387 ( 3306 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8763 -21.8763 -21.8136 -21.8136 -21.2547 -21.2547 -21.1973 -21.1973 -21.0630 -21.0630 -20.9946 -20.9946 4.8702 4.8702 6.8591 6.8591 9.5828 9.5828 11.3327 11.3327 11.4838 11.4838 11.9135 11.9135 12.6978 12.6978 13.0075 13.0075 13.9903 13.9903 k = 0.0000 0.5000 0.1479 ( 3300 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8780 -21.8780 -21.8144 -21.8144 -21.2547 -21.2547 -21.1970 -21.1970 -21.0615 -21.0615 -20.9936 -20.9936 4.8566 4.8566 6.8779 6.8779 9.5716 9.5716 11.3580 11.3580 11.5010 11.5010 11.9316 11.9316 12.6680 12.6680 12.9839 12.9839 14.0284 14.0284 k = 0.0000 0.5000 0.1572 ( 3298 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8798 -21.8798 -21.8152 -21.8152 -21.2548 -21.2548 -21.1967 -21.1967 -21.0601 -21.0601 -20.9926 -20.9926 4.8432 4.8432 6.8968 6.8968 9.5603 9.5603 11.3847 11.3847 11.5184 11.5184 11.9494 11.9494 12.6393 12.6393 12.9610 12.9610 14.0653 14.0653 k = 0.0000 0.5000 0.1664 ( 3300 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8815 -21.8815 -21.8160 -21.8160 -21.2548 -21.2548 -21.1964 -21.1964 -21.0586 -21.0586 -20.9916 -20.9916 4.8299 4.8299 6.9156 6.9156 9.5491 9.5491 11.4126 11.4126 11.5360 11.5360 11.9667 11.9667 12.6120 12.6120 12.9389 12.9389 14.1011 14.1011 k = 0.0000 0.5000 0.1757 ( 3300 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8832 -21.8832 -21.8168 -21.8168 -21.2549 -21.2549 -21.1962 -21.1962 -21.0572 -21.0572 -20.9906 -20.9906 4.8169 4.8169 6.9341 6.9341 9.5380 9.5380 11.4415 11.4415 11.5535 11.5535 11.9833 11.9833 12.5859 12.5859 12.9177 12.9177 14.1355 14.1355 k = 0.0000 0.5000 0.1849 ( 3300 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8849 -21.8849 -21.8175 -21.8175 -21.2549 -21.2549 -21.1959 -21.1959 -21.0558 -21.0558 -20.9896 -20.9896 4.8042 4.8042 6.9523 6.9523 9.5272 9.5272 11.4713 11.4713 11.5710 11.5710 11.9990 11.9990 12.5612 12.5612 12.8975 12.8975 14.1685 14.1685 k = 0.0000 0.5000 0.1941 ( 3308 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8866 -21.8866 -21.8183 -21.8183 -21.2550 -21.2550 -21.1956 -21.1956 -21.0544 -21.0544 -20.9886 -20.9886 4.7920 4.7920 6.9700 6.9700 9.5166 9.5166 11.5017 11.5017 11.5881 11.5881 12.0138 12.0138 12.5380 12.5380 12.8783 12.8783 14.1999 14.1999 k = 0.0000 0.5000 0.2034 ( 3316 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8881 -21.8881 -21.8191 -21.8191 -21.2550 -21.2550 -21.1954 -21.1954 -21.0531 -21.0531 -20.9876 -20.9876 4.7803 4.7803 6.9870 6.9870 9.5064 9.5064 11.5325 11.5325 11.6048 11.6048 12.0274 12.0274 12.5162 12.5162 12.8603 12.8603 14.2296 14.2296 k = 0.0000 0.5000 0.2126 ( 3316 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8897 -21.8897 -21.8198 -21.8198 -21.2551 -21.2551 -21.1952 -21.1952 -21.0518 -21.0518 -20.9867 -20.9867 4.7691 4.7691 7.0033 7.0033 9.4967 9.4967 11.5634 11.5634 11.6209 11.6209 12.0398 12.0398 12.4958 12.4958 12.8434 12.8434 14.2576 14.2576 k = 0.0000 0.5000 0.2219 ( 3306 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8911 -21.8911 -21.8205 -21.8205 -21.2551 -21.2551 -21.1950 -21.1950 -21.0506 -21.0506 -20.9858 -20.9858 4.7586 4.7586 7.0188 7.0188 9.4875 9.4875 11.5942 11.5942 11.6364 11.6364 12.0508 12.0508 12.4770 12.4770 12.8277 12.8277 14.2837 14.2837 k = 0.0000 0.5000 0.2311 ( 3308 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8924 -21.8924 -21.8212 -21.8212 -21.2552 -21.2552 -21.1948 -21.1948 -21.0494 -21.0494 -20.9850 -20.9850 4.7489 4.7489 7.0332 7.0332 9.4789 9.4789 11.6246 11.6246 11.6510 11.6510 12.0603 12.0603 12.4598 12.4598 12.8132 12.8132 14.3079 14.3079 k = 0.0000 0.5000 0.2404 ( 3312 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8937 -21.8937 -21.8218 -21.8218 -21.2552 -21.2552 -21.1946 -21.1946 -21.0484 -21.0484 -20.9842 -20.9842 4.7399 4.7399 7.0466 7.0466 9.4709 9.4709 11.6543 11.6543 11.6646 11.6646 12.0683 12.0683 12.4441 12.4441 12.8000 12.8000 14.3300 14.3300 k = 0.0000 0.5000 0.2496 ( 3312 PWs) bands (ev): -45.1031 -45.1031 -45.0987 -45.0987 -21.8948 -21.8948 -21.8224 -21.8224 -21.2552 -21.2552 -21.1944 -21.1944 -21.0474 -21.0474 -20.9835 -20.9835 4.7317 4.7317 7.0589 7.0589 9.4636 9.4636 11.6771 11.6771 11.6828 11.6828 12.0748 12.0748 12.4300 12.4300 12.7881 12.7881 14.3500 14.3500 k = 0.0000 0.5000 0.2589 ( 3320 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8958 -21.8958 -21.8229 -21.8229 -21.2553 -21.2553 -21.1943 -21.1943 -21.0465 -21.0465 -20.9829 -20.9829 4.7244 4.7244 7.0699 7.0699 9.4571 9.4571 11.6884 11.6884 11.7097 11.7097 12.0798 12.0798 12.4175 12.4175 12.7776 12.7776 14.3678 14.3678 k = 0.0000 0.5000 0.2681 ( 3320 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8967 -21.8967 -21.8233 -21.8233 -21.2553 -21.2553 -21.1941 -21.1941 -21.0458 -21.0458 -20.9823 -20.9823 4.7180 4.7180 7.0795 7.0795 9.4513 9.4513 11.6985 11.6985 11.7346 11.7346 12.0834 12.0834 12.4067 12.4067 12.7684 12.7684 14.3834 14.3834 k = 0.0000 0.5000 0.2774 ( 3320 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8975 -21.8975 -21.8237 -21.8237 -21.2553 -21.2553 -21.1940 -21.1940 -21.0451 -21.0451 -20.9819 -20.9819 4.7125 4.7125 7.0879 7.0879 9.4464 9.4464 11.7071 11.7071 11.7571 11.7571 12.0857 12.0857 12.3975 12.3975 12.7606 12.7606 14.3967 14.3967 k = 0.0000 0.5000 0.2866 ( 3320 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8981 -21.8981 -21.8241 -21.8241 -21.2553 -21.2553 -21.1939 -21.1939 -21.0446 -21.0446 -20.9815 -20.9815 4.7080 4.7080 7.0947 7.0947 9.4424 9.4424 11.7143 11.7143 11.7766 11.7766 12.0870 12.0870 12.3899 12.3899 12.7542 12.7542 14.4076 14.4076 k = 0.0000 0.5000 0.2958 ( 3320 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8986 -21.8986 -21.8243 -21.8243 -21.2553 -21.2553 -21.1938 -21.1938 -21.0441 -21.0441 -20.9811 -20.9811 4.7044 4.7044 7.1001 7.1001 9.4392 9.4392 11.7199 11.7199 11.7925 11.7925 12.0875 12.0875 12.3840 12.3840 12.7492 12.7492 14.4161 14.4161 k = 0.0000 0.5000 0.3051 ( 3324 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8990 -21.8990 -21.8245 -21.8245 -21.2553 -21.2553 -21.1938 -21.1938 -21.0438 -21.0438 -20.9809 -20.9809 4.7019 4.7019 7.1040 7.1040 9.4369 9.4369 11.7240 11.7240 11.8044 11.8044 12.0875 12.0875 12.3798 12.3798 12.7456 12.7456 14.4223 14.4223 k = 0.0000 0.5000 0.3143 ( 3324 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8992 -21.8992 -21.8246 -21.8246 -21.2553 -21.2553 -21.1938 -21.1938 -21.0436 -21.0436 -20.9808 -20.9808 4.7003 4.7003 7.1063 7.1063 9.4355 9.4355 11.7265 11.7265 11.8117 11.8117 12.0874 12.0874 12.3773 12.3773 12.7435 12.7435 14.4259 14.4259 k = 0.0000 0.5000 0.3236 ( 3324 PWs) bands (ev): -45.1030 -45.1030 -45.0987 -45.0987 -21.8993 -21.8993 -21.8247 -21.8247 -21.2553 -21.2553 -21.1938 -21.1938 -21.0436 -21.0436 -20.9807 -20.9807 4.6998 4.6998 7.1071 7.1071 9.4351 9.4351 11.7273 11.7273 11.8142 11.8142 12.0873 12.0873 12.3765 12.3765 12.7428 12.7428 14.4272 14.4272 k = 0.5000 0.5000-0.0000 ( 3328 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9342 -21.9342 -21.8694 -21.8694 -21.3079 -21.3079 -21.2649 -21.2649 -21.1461 -21.1461 -21.1079 -21.1079 5.7822 5.7822 7.3506 7.3506 9.3828 9.3828 9.3834 9.3834 10.4338 10.4338 14.3623 14.3623 14.5103 14.5103 14.6226 14.6226 14.6255 14.6255 k = 0.5000 0.5000 0.0092 ( 3328 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9341 -21.9341 -21.8694 -21.8694 -21.3079 -21.3079 -21.2650 -21.2650 -21.1461 -21.1461 -21.1079 -21.1079 5.7828 5.7828 7.3496 7.3496 9.3840 9.3840 9.3846 9.3846 10.4348 10.4348 14.3641 14.3641 14.4676 14.4676 14.6207 14.6207 14.6230 14.6230 k = 0.5000 0.5000 0.0185 ( 3344 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9340 -21.9340 -21.8695 -21.8695 -21.3079 -21.3079 -21.2650 -21.2650 -21.1462 -21.1462 -21.1081 -21.1081 5.7848 5.7848 7.3465 7.3465 9.3875 9.3875 9.3882 9.3882 10.4376 10.4376 14.3696 14.3696 14.3813 14.3813 14.6137 14.6137 14.6155 14.6155 k = 0.5000 0.5000 0.0277 ( 3360 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9337 -21.9337 -21.8695 -21.8695 -21.3078 -21.3078 -21.2651 -21.2651 -21.1463 -21.1463 -21.1083 -21.1083 5.7880 5.7880 7.3415 7.3415 9.3934 9.3934 9.3941 9.3941 10.4423 10.4423 14.2838 14.2838 14.3786 14.3786 14.6015 14.6015 14.6031 14.6031 k = 0.5000 0.5000 0.0370 ( 3364 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9333 -21.9333 -21.8696 -21.8696 -21.3077 -21.3077 -21.2652 -21.2652 -21.1464 -21.1464 -21.1086 -21.1086 5.7925 5.7925 7.3344 7.3344 9.4017 9.4017 9.4023 9.4023 10.4488 10.4488 14.1830 14.1830 14.3912 14.3912 14.5844 14.5844 14.5860 14.5860 k = 0.5000 0.5000 0.0462 ( 3368 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9328 -21.9328 -21.8696 -21.8696 -21.3075 -21.3075 -21.2653 -21.2653 -21.1466 -21.1466 -21.1090 -21.1090 5.7982 5.7982 7.3253 7.3253 9.4122 9.4122 9.4128 9.4128 10.4572 10.4572 14.0815 14.0815 14.4073 14.4073 14.5626 14.5626 14.5641 14.5641 k = 0.5000 0.5000 0.0555 ( 3368 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9322 -21.9322 -21.8697 -21.8697 -21.3073 -21.3073 -21.2654 -21.2654 -21.1469 -21.1469 -21.1095 -21.1095 5.8053 5.8053 7.3143 7.3143 9.4250 9.4250 9.4256 9.4256 10.4675 10.4675 13.9801 13.9801 14.4268 14.4268 14.5362 14.5362 14.5378 14.5378 k = 0.5000 0.5000 0.0647 ( 3368 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9315 -21.9315 -21.8698 -21.8698 -21.3071 -21.3071 -21.2656 -21.2656 -21.1471 -21.1471 -21.1101 -21.1101 5.8136 5.8136 7.3014 7.3014 9.4400 9.4400 9.4406 9.4406 10.4797 10.4797 13.8792 13.8792 14.4491 14.4491 14.5054 14.5054 14.5078 14.5078 k = 0.5000 0.5000 0.0740 ( 3356 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9307 -21.9307 -21.8699 -21.8699 -21.3068 -21.3068 -21.2658 -21.2658 -21.1474 -21.1474 -21.1108 -21.1108 5.8232 5.8232 7.2867 7.2867 9.4572 9.4572 9.4578 9.4578 10.4937 10.4937 13.7791 13.7791 14.4626 14.4626 14.4703 14.4703 14.4858 14.4858 k = 0.5000 0.5000 0.0832 ( 3348 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9297 -21.9297 -21.8701 -21.8701 -21.3065 -21.3065 -21.2661 -21.2661 -21.1477 -21.1477 -21.1115 -21.1115 5.8340 5.8340 7.2702 7.2702 9.4765 9.4765 9.4771 9.4771 10.5096 10.5096 13.6799 13.6799 14.4297 14.4297 14.4313 14.4313 14.5096 14.5096 k = 0.5000 0.5000 0.0925 ( 3340 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9287 -21.9287 -21.8702 -21.8702 -21.3062 -21.3062 -21.2663 -21.2663 -21.1481 -21.1481 -21.1124 -21.1124 5.8460 5.8460 7.2520 7.2520 9.4978 9.4978 9.4984 9.4984 10.5273 10.5273 13.5818 13.5818 14.3875 14.3875 14.3885 14.3885 14.5424 14.5424 k = 0.5000 0.5000 0.1017 ( 3348 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9276 -21.9276 -21.8704 -21.8704 -21.3058 -21.3058 -21.2667 -21.2667 -21.1484 -21.1484 -21.1133 -21.1133 5.8593 5.8593 7.2321 7.2321 9.5210 9.5210 9.5216 9.5216 10.5468 10.5468 13.4847 13.4847 14.3414 14.3414 14.3422 14.3422 14.5788 14.5788 k = 0.5000 0.5000 0.1109 ( 3348 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9265 -21.9265 -21.8707 -21.8707 -21.3054 -21.3054 -21.2670 -21.2670 -21.1487 -21.1487 -21.1143 -21.1143 5.8737 5.8737 7.2107 7.2107 9.5461 9.5461 9.5467 9.5467 10.5683 10.5683 13.3887 13.3887 14.2920 14.2920 14.2928 14.2928 14.6186 14.6186 k = 0.5000 0.5000 0.1202 ( 3348 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9252 -21.9252 -21.8709 -21.8709 -21.3050 -21.3050 -21.2674 -21.2674 -21.1491 -21.1491 -21.1153 -21.1153 5.8893 5.8893 7.1878 7.1878 9.5728 9.5728 9.5734 9.5734 10.5915 10.5915 13.2939 13.2939 14.2398 14.2398 14.2406 14.2406 14.6615 14.6615 k = 0.5000 0.5000 0.1294 ( 3332 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9238 -21.9238 -21.8712 -21.8712 -21.3045 -21.3045 -21.2678 -21.2678 -21.1494 -21.1494 -21.1164 -21.1164 5.9062 5.9062 7.1634 7.1634 9.6012 9.6012 9.6018 9.6018 10.6166 10.6166 13.2003 13.2003 14.1851 14.1851 14.1860 14.1860 14.7075 14.7075 k = 0.5000 0.5000 0.1387 ( 3332 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9224 -21.9224 -21.8715 -21.8715 -21.3039 -21.3039 -21.2683 -21.2683 -21.1497 -21.1497 -21.1176 -21.1176 5.9241 5.9241 7.1378 7.1378 9.6310 9.6310 9.6316 9.6316 10.6436 10.6436 13.1080 13.1080 14.1283 14.1283 14.1292 14.1292 14.7565 14.7565 k = 0.5000 0.5000 0.1479 ( 3332 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9210 -21.9210 -21.8719 -21.8719 -21.3034 -21.3034 -21.2688 -21.2688 -21.1500 -21.1500 -21.1188 -21.1188 5.9432 5.9432 7.1109 7.1109 9.6620 9.6620 9.6626 9.6626 10.6723 10.6723 13.0169 13.0169 14.0698 14.0698 14.0707 14.0707 14.8084 14.8084 k = 0.5000 0.5000 0.1572 ( 3332 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9194 -21.9194 -21.8723 -21.8723 -21.3028 -21.3028 -21.2694 -21.2694 -21.1503 -21.1503 -21.1200 -21.1200 5.9633 5.9633 7.0828 7.0828 9.6942 9.6942 9.6948 9.6948 10.7029 10.7029 12.9271 12.9271 14.0100 14.0100 14.0110 14.0110 14.8630 14.8630 k = 0.5000 0.5000 0.1664 ( 3332 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9179 -21.9179 -21.8728 -21.8728 -21.3021 -21.3021 -21.2700 -21.2700 -21.1505 -21.1505 -21.1214 -21.1214 5.9846 5.9846 7.0537 7.0537 9.7273 9.7273 9.7279 9.7279 10.7352 10.7352 12.8386 12.8386 13.9494 13.9494 13.9503 13.9503 14.9202 14.9202 k = 0.5000 0.5000 0.1757 ( 3332 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9162 -21.9162 -21.8733 -21.8733 -21.3014 -21.3014 -21.2706 -21.2706 -21.1507 -21.1507 -21.1227 -21.1227 6.0069 6.0069 7.0236 7.0236 9.7611 9.7611 9.7617 9.7617 10.7694 10.7694 12.7514 12.7514 13.8883 13.8883 13.8893 13.8893 14.9796 14.9796 k = 0.5000 0.5000 0.1849 ( 3336 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9146 -21.9146 -21.8738 -21.8738 -21.3007 -21.3007 -21.2713 -21.2713 -21.1508 -21.1508 -21.1241 -21.1241 6.0302 6.0302 6.9926 6.9926 9.7954 9.7954 9.7959 9.7959 10.8054 10.8054 12.6656 12.6656 13.8273 13.8273 13.8282 13.8282 15.0392 15.0392 k = 0.5000 0.5000 0.1941 ( 3344 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9129 -21.9129 -21.8745 -21.8745 -21.3000 -21.3000 -21.2721 -21.2721 -21.1509 -21.1509 -21.1254 -21.1254 6.0545 6.0545 6.9608 6.9608 9.8298 9.8298 9.8303 9.8303 10.8431 10.8431 12.5812 12.5812 13.7668 13.7668 13.7677 13.7677 15.0678 15.0684 k = 0.5000 0.5000 0.2034 ( 3360 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9111 -21.9111 -21.8751 -21.8751 -21.2992 -21.2992 -21.2728 -21.2728 -21.1509 -21.1509 -21.1269 -21.1269 6.0798 6.0798 6.9283 6.9283 9.8642 9.8642 9.8647 9.8647 10.8827 10.8827 12.4982 12.4982 13.7072 13.7072 13.7081 13.7081 15.0704 15.0720 k = 0.5000 0.5000 0.2126 ( 3356 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9094 -21.9094 -21.8758 -21.8758 -21.2983 -21.2983 -21.2737 -21.2737 -21.1508 -21.1508 -21.1283 -21.1283 6.1060 6.1060 6.8952 6.8952 9.8981 9.8981 9.8986 9.8986 10.9240 10.9240 12.4166 12.4166 13.6491 13.6491 13.6500 13.6500 15.0709 15.0712 k = 0.5000 0.5000 0.2219 ( 3364 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9076 -21.9076 -21.8766 -21.8766 -21.2975 -21.2975 -21.2745 -21.2745 -21.1507 -21.1507 -21.1297 -21.1297 6.1331 6.1331 6.8616 6.8616 9.9314 9.9314 9.9318 9.9318 10.9670 10.9670 12.3364 12.3364 13.5930 13.5930 13.5939 13.5939 15.0711 15.0716 k = 0.5000 0.5000 0.2311 ( 3364 PWs) bands (ev): -45.0696 -45.0696 -45.0696 -45.0696 -21.9059 -21.9059 -21.8775 -21.8775 -21.2965 -21.2965 -21.2754 -21.2754 -21.1505 -21.1505 -21.1311 -21.1311 6.1610 6.1610 6.8275 6.8275 9.9636 9.9636 9.9640 9.9640 11.0119 11.0119 12.2577 12.2577 13.5394 13.5394 13.5402 13.5402 15.0712 15.0717 k = 0.5000 0.5000 0.2404 ( 3364 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.9041 -21.9041 -21.8784 -21.8784 -21.2956 -21.2956 -21.2764 -21.2764 -21.1502 -21.1502 -21.1325 -21.1325 6.1898 6.1898 6.7930 6.7930 9.9943 9.9943 9.9947 9.9947 11.0584 11.0584 12.1804 12.1804 13.4889 13.4889 13.4896 13.4896 15.0713 15.0717 k = 0.5000 0.5000 0.2496 ( 3364 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.9024 -21.9024 -21.8793 -21.8793 -21.2946 -21.2946 -21.2774 -21.2774 -21.1498 -21.1498 -21.1339 -21.1339 6.2194 6.2194 6.7582 6.7582 10.0232 10.0232 10.0236 10.0236 11.1067 11.1067 12.1046 12.1046 13.4418 13.4418 13.4425 13.4425 15.0715 15.0717 k = 0.5000 0.5000 0.2589 ( 3364 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.9006 -21.9006 -21.8804 -21.8804 -21.2936 -21.2936 -21.2784 -21.2784 -21.1493 -21.1493 -21.1353 -21.1353 6.2497 6.2497 6.7233 6.7233 10.0500 10.0500 10.0503 10.0503 11.1567 11.1567 12.0304 12.0304 13.3988 13.3988 13.3994 13.3994 15.0716 15.0718 k = 0.5000 0.5000 0.2681 ( 3364 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8989 -21.8989 -21.8815 -21.8815 -21.2926 -21.2926 -21.2794 -21.2794 -21.1488 -21.1488 -21.1367 -21.1367 6.2807 6.2807 6.6881 6.6881 10.0741 10.0741 10.0744 10.0744 11.2084 11.2084 11.9576 11.9576 13.3603 13.3603 13.3609 13.3609 15.0716 15.0718 k = 0.5000 0.5000 0.2774 ( 3364 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8972 -21.8972 -21.8826 -21.8826 -21.2915 -21.2915 -21.2805 -21.2805 -21.1482 -21.1482 -21.1380 -21.1380 6.3123 6.3123 6.6530 6.6530 10.0953 10.0953 10.0956 10.0956 11.2618 11.2618 11.8864 11.8864 13.3269 13.3269 13.3273 13.3273 15.0718 15.0719 k = 0.5000 0.5000 0.2866 ( 3356 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8955 -21.8955 -21.8838 -21.8838 -21.2905 -21.2905 -21.2816 -21.2816 -21.1475 -21.1475 -21.1393 -21.1393 6.3446 6.3446 6.6178 6.6178 10.1132 10.1132 10.1134 10.1134 11.3169 11.3169 11.8167 11.8167 13.2988 13.2988 13.2992 13.2992 15.0717 15.0718 k = 0.5000 0.5000 0.2958 ( 3356 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8939 -21.8939 -21.8851 -21.8851 -21.2894 -21.2894 -21.2827 -21.2827 -21.1467 -21.1467 -21.1405 -21.1405 6.3774 6.3774 6.5827 6.5827 10.1275 10.1275 10.1277 10.1277 11.3736 11.3736 11.7486 11.7486 13.2766 13.2766 13.2769 13.2769 15.0717 15.0718 k = 0.5000 0.5000 0.3051 ( 3356 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8923 -21.8923 -21.8864 -21.8864 -21.2883 -21.2883 -21.2838 -21.2838 -21.1458 -21.1458 -21.1417 -21.1417 6.4107 6.4107 6.5477 6.5477 10.1379 10.1379 10.1380 10.1380 11.4321 11.4321 11.6821 11.6821 13.2605 13.2605 13.2607 13.2607 15.0717 15.0718 k = 0.5000 0.5000 0.3143 ( 3356 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8908 -21.8908 -21.8878 -21.8878 -21.2872 -21.2872 -21.2849 -21.2849 -21.1449 -21.1449 -21.1428 -21.1428 6.4444 6.4444 6.5130 6.5130 10.1442 10.1442 10.1443 10.1443 11.4921 11.4921 11.6172 11.6172 13.2508 13.2508 13.2509 13.2509 15.0718 15.0718 k = 0.5000 0.5000 0.3236 ( 3360 PWs) bands (ev): -45.0695 -45.0695 -45.0695 -45.0695 -21.8893 -21.8893 -21.8893 -21.8893 -21.2860 -21.2860 -21.2860 -21.2860 -21.1439 -21.1439 -21.1439 -21.1439 6.4785 6.4785 6.4785 6.4785 10.1464 10.1464 10.1464 10.1464 11.5538 11.5538 11.5538 11.5538 13.2476 13.2476 13.2476 13.2476 15.0718 15.0718 Writing output data file TiH.save init_run : 0.06s CPU 0.18s WALL ( 1 calls) electrons : 181.44s CPU 186.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 181.43s CPU 186.22s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 476 calls) cegterg : 173.44s CPU 177.07s WALL ( 1033 calls) Called by sum_band: Called by *egterg: h_psi : 89.88s CPU 92.27s WALL ( 18751 calls) s_psi : 1.21s CPU 1.24s WALL ( 18751 calls) g_psi : 0.36s CPU 0.31s WALL ( 17242 calls) cdiaghg : 70.41s CPU 71.95s WALL ( 17718 calls) cegterg:over : 6.02s CPU 6.06s WALL ( 17242 calls) cegterg:upda : 4.58s CPU 4.55s WALL ( 17242 calls) cegterg:last : 3.00s CPU 2.93s WALL ( 2959 calls) cdiaghg:chol : 3.49s CPU 3.65s WALL ( 17718 calls) cdiaghg:inve : 1.81s CPU 1.82s WALL ( 17718 calls) cdiaghg:para : 4.48s CPU 4.41s WALL ( 35436 calls) Called by h_psi: h_psi:vloc : 81.64s CPU 83.65s WALL ( 18751 calls) h_psi:vnl : 8.10s CPU 8.45s WALL ( 18751 calls) add_vuspsi : 4.24s CPU 4.38s WALL ( 18751 calls) General routines calbec : 3.82s CPU 4.02s WALL ( 18751 calls) fft : 0.00s CPU 0.00s WALL ( 14 calls) fftw : 77.22s CPU 79.25s WALL ( 1213908 calls) davcio : 0.09s CPU 0.67s WALL ( 952 calls) Parallel routines fft_scatter : 30.00s CPU 31.29s WALL ( 1213922 calls) PWSCF : 3m14.35s CPU 3m30.88s WALL This run was terminated on: 19:59:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=