Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:46:36 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: ./TiHg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 23 6 982 657 106 Max 31 24 7 985 675 113 Sum 1085 829 241 35381 23895 3951 bravais-lattice index = 14 lattice parameter (alat) = 5.6862 a.u. unit-cell volume = 246.9049 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.686186 celldm(2)= 1.000000 celldm(3)= 1.342971 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 1.342971 ) 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 0.744618 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Hg 12.00 200.59000 Hg( 1.00) Ti 12.00 47.86700 Ti( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [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 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 486 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 2) = ( 0.0000000 0.0094340 -0.0000000), wk = 0.0020576 k( 3) = ( 0.0000000 0.0188679 -0.0000000), wk = 0.0020576 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0020576 k( 5) = ( 0.0000000 0.0377359 -0.0000000), wk = 0.0020576 k( 6) = ( 0.0000000 0.0471698 -0.0000000), wk = 0.0020576 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0020576 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0020576 k( 9) = ( 0.0000000 0.0754717 -0.0000000), wk = 0.0020576 k( 10) = ( 0.0000000 0.0849057 -0.0000000), wk = 0.0020576 k( 11) = ( 0.0000000 0.0943396 -0.0000000), wk = 0.0020576 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0020576 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0020576 k( 14) = ( 0.0000000 0.1226415 -0.0000000), wk = 0.0020576 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0020576 k( 16) = ( 0.0000000 0.1415094 -0.0000000), wk = 0.0020576 k( 17) = ( 0.0000000 0.1509434 -0.0000000), wk = 0.0020576 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0020576 k( 19) = ( 0.0000000 0.1698113 -0.0000000), wk = 0.0020576 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0020576 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0020576 k( 22) = ( 0.0000000 0.1981132 -0.0000000), wk = 0.0020576 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0020576 k( 24) = ( 0.0000000 0.2169811 -0.0000000), wk = 0.0020576 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0020576 k( 26) = ( 0.0000000 0.2358491 -0.0000000), wk = 0.0020576 k( 27) = ( 0.0000000 0.2452830 -0.0000000), wk = 0.0020576 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0020576 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0020576 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0020576 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0020576 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0020576 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0020576 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0020576 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0020576 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0020576 k( 37) = ( 0.0000000 0.3396226 -0.0000000), wk = 0.0020576 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0020576 k( 39) = ( 0.0000000 0.3584906 -0.0000000), wk = 0.0020576 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0020576 k( 41) = ( 0.0000000 0.3773585 -0.0000000), wk = 0.0020576 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0020576 k( 43) = ( 0.0000000 0.3962264 -0.0000000), wk = 0.0020576 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0020576 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0020576 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0020576 k( 47) = ( 0.0000000 0.4339623 -0.0000000), wk = 0.0020576 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0020576 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0020576 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0020576 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0020576 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0020576 k( 53) = ( 0.0000000 0.4905660 -0.0000000), wk = 0.0020576 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020576 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020576 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0020576 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0020576 k( 58) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0020576 k( 59) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0020576 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0020576 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0020576 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0020576 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0020576 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0020576 k( 65) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0020576 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0020576 k( 67) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0020576 k( 68) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0020576 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0020576 k( 70) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0020576 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0020576 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0020576 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0020576 k( 74) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0020576 k( 75) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0020576 k( 76) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0020576 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0020576 k( 78) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0020576 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0020576 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0020576 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0020576 k( 82) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0020576 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0020576 k( 84) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0020576 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0020576 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0020576 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0020576 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0020576 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0020576 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0020576 k( 91) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0020576 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0020576 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0020576 k( 94) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0020576 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0020576 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0020576 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0020576 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0020576 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0020576 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0020576 k( 101) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0020576 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0020576 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0020576 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0020576 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0020576 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0020576 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0020576 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020576 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020576 k( 110) = ( 0.4932432 0.4932432 -0.0000000), wk = 0.0020576 k( 111) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0020576 k( 112) = ( 0.4797297 0.4797297 -0.0000000), wk = 0.0020576 k( 113) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0020576 k( 114) = ( 0.4662162 0.4662162 -0.0000000), wk = 0.0020576 k( 115) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0020576 k( 116) = ( 0.4527027 0.4527027 -0.0000000), wk = 0.0020576 k( 117) = ( 0.4459459 0.4459459 -0.0000000), wk = 0.0020576 k( 118) = ( 0.4391892 0.4391892 -0.0000000), wk = 0.0020576 k( 119) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0020576 k( 120) = ( 0.4256757 0.4256757 -0.0000000), wk = 0.0020576 k( 121) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0020576 k( 122) = ( 0.4121622 0.4121622 -0.0000000), wk = 0.0020576 k( 123) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0020576 k( 124) = ( 0.3986486 0.3986486 -0.0000000), wk = 0.0020576 k( 125) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0020576 k( 126) = ( 0.3851351 0.3851351 -0.0000000), wk = 0.0020576 k( 127) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0020576 k( 128) = ( 0.3716216 0.3716216 -0.0000000), wk = 0.0020576 k( 129) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0020576 k( 130) = ( 0.3581081 0.3581081 -0.0000000), wk = 0.0020576 k( 131) = ( 0.3513514 0.3513513 -0.0000000), wk = 0.0020576 k( 132) = ( 0.3445946 0.3445946 -0.0000000), wk = 0.0020576 k( 133) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0020576 k( 134) = ( 0.3310811 0.3310811 -0.0000000), wk = 0.0020576 k( 135) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0020576 k( 136) = ( 0.3175676 0.3175676 -0.0000000), wk = 0.0020576 k( 137) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0020576 k( 138) = ( 0.3040541 0.3040540 -0.0000000), wk = 0.0020576 k( 139) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0020576 k( 140) = ( 0.2905405 0.2905405 -0.0000000), wk = 0.0020576 k( 141) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0020576 k( 142) = ( 0.2770270 0.2770270 -0.0000000), wk = 0.0020576 k( 143) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0020576 k( 144) = ( 0.2635135 0.2635135 -0.0000000), wk = 0.0020576 k( 145) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0020576 k( 146) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0020576 k( 147) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0020576 k( 148) = ( 0.2364865 0.2364865 -0.0000000), wk = 0.0020576 k( 149) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0020576 k( 150) = ( 0.2229730 0.2229730 -0.0000000), wk = 0.0020576 k( 151) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0020576 k( 152) = ( 0.2094595 0.2094595 -0.0000000), wk = 0.0020576 k( 153) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0020576 k( 154) = ( 0.1959460 0.1959459 -0.0000000), wk = 0.0020576 k( 155) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0020576 k( 156) = ( 0.1824324 0.1824324 -0.0000000), wk = 0.0020576 k( 157) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0020576 k( 158) = ( 0.1689189 0.1689189 -0.0000000), wk = 0.0020576 k( 159) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0020576 k( 160) = ( 0.1554054 0.1554054 -0.0000000), wk = 0.0020576 k( 161) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0020576 k( 162) = ( 0.1418919 0.1418919 -0.0000000), wk = 0.0020576 k( 163) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0020576 k( 164) = ( 0.1283784 0.1283784 -0.0000000), wk = 0.0020576 k( 165) = ( 0.1216216 0.1216216 -0.0000000), wk = 0.0020576 k( 166) = ( 0.1148649 0.1148649 -0.0000000), wk = 0.0020576 k( 167) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0020576 k( 168) = ( 0.1013514 0.1013513 -0.0000000), wk = 0.0020576 k( 169) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0020576 k( 170) = ( 0.0878378 0.0878378 -0.0000000), wk = 0.0020576 k( 171) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0020576 k( 172) = ( 0.0743243 0.0743243 -0.0000000), wk = 0.0020576 k( 173) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0020576 k( 174) = ( 0.0608108 0.0608108 -0.0000000), wk = 0.0020576 k( 175) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0020576 k( 176) = ( 0.0472973 0.0472973 -0.0000000), wk = 0.0020576 k( 177) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0020576 k( 178) = ( 0.0337838 0.0337838 -0.0000000), wk = 0.0020576 k( 179) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0020576 k( 180) = ( 0.0202703 0.0202703 -0.0000000), wk = 0.0020576 k( 181) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0020576 k( 182) = ( 0.0067568 0.0067568 -0.0000000), wk = 0.0020576 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 185) = ( 0.0000000 0.0000000 0.0095464), wk = 0.0020576 k( 186) = ( 0.0000000 0.0000000 0.0190928), wk = 0.0020576 k( 187) = ( 0.0000000 0.0000000 0.0286391), wk = 0.0020576 k( 188) = ( 0.0000000 0.0000000 0.0381855), wk = 0.0020576 k( 189) = ( 0.0000000 0.0000000 0.0477319), wk = 0.0020576 k( 190) = ( 0.0000000 0.0000000 0.0572783), wk = 0.0020576 k( 191) = ( 0.0000000 0.0000000 0.0668247), wk = 0.0020576 k( 192) = ( 0.0000000 0.0000000 0.0763710), wk = 0.0020576 k( 193) = ( 0.0000000 0.0000000 0.0859174), wk = 0.0020576 k( 194) = ( 0.0000000 0.0000000 0.0954638), wk = 0.0020576 k( 195) = ( 0.0000000 0.0000000 0.1050102), wk = 0.0020576 k( 196) = ( 0.0000000 0.0000000 0.1145566), wk = 0.0020576 k( 197) = ( 0.0000000 0.0000000 0.1241029), wk = 0.0020576 k( 198) = ( 0.0000000 0.0000000 0.1336493), wk = 0.0020576 k( 199) = ( 0.0000000 0.0000000 0.1431957), wk = 0.0020576 k( 200) = ( 0.0000000 0.0000000 0.1527421), wk = 0.0020576 k( 201) = ( 0.0000000 0.0000000 0.1622885), wk = 0.0020576 k( 202) = ( 0.0000000 0.0000000 0.1718348), wk = 0.0020576 k( 203) = ( 0.0000000 0.0000000 0.1813812), wk = 0.0020576 k( 204) = ( 0.0000000 0.0000000 0.1909276), wk = 0.0020576 k( 205) = ( 0.0000000 0.0000000 0.2004740), wk = 0.0020576 k( 206) = ( 0.0000000 0.0000000 0.2100204), wk = 0.0020576 k( 207) = ( 0.0000000 0.0000000 0.2195667), wk = 0.0020576 k( 208) = ( 0.0000000 0.0000000 0.2291131), wk = 0.0020576 k( 209) = ( 0.0000000 0.0000000 0.2386595), wk = 0.0020576 k( 210) = ( 0.0000000 0.0000000 0.2482059), wk = 0.0020576 k( 211) = ( 0.0000000 0.0000000 0.2577523), wk = 0.0020576 k( 212) = ( 0.0000000 0.0000000 0.2672987), wk = 0.0020576 k( 213) = ( 0.0000000 0.0000000 0.2768450), wk = 0.0020576 k( 214) = ( 0.0000000 0.0000000 0.2863914), wk = 0.0020576 k( 215) = ( 0.0000000 0.0000000 0.2959378), wk = 0.0020576 k( 216) = ( 0.0000000 0.0000000 0.3054842), wk = 0.0020576 k( 217) = ( 0.0000000 0.0000000 0.3150305), wk = 0.0020576 k( 218) = ( 0.0000000 0.0000000 0.3245769), wk = 0.0020576 k( 219) = ( 0.0000000 0.0000000 0.3341233), wk = 0.0020576 k( 220) = ( 0.0000000 0.0000000 0.3436697), wk = 0.0020576 k( 221) = ( 0.0000000 0.0000000 0.3532161), wk = 0.0020576 k( 222) = ( 0.0000000 0.0000000 0.3627625), wk = 0.0020576 k( 223) = ( 0.0000000 0.0000000 0.3723088), wk = 0.0020576 k( 224) = ( 0.0000000 0.0000000 0.3723088), wk = 0.0020576 k( 225) = ( 0.0000000 0.0094340 0.3723088), wk = 0.0020576 k( 226) = ( 0.0000000 0.0188679 0.3723088), wk = 0.0020576 k( 227) = ( 0.0000000 0.0283019 0.3723088), wk = 0.0020576 k( 228) = ( 0.0000000 0.0377359 0.3723088), wk = 0.0020576 k( 229) = ( 0.0000000 0.0471698 0.3723088), wk = 0.0020576 k( 230) = ( 0.0000000 0.0566038 0.3723088), wk = 0.0020576 k( 231) = ( 0.0000000 0.0660377 0.3723088), wk = 0.0020576 k( 232) = ( 0.0000000 0.0754717 0.3723088), wk = 0.0020576 k( 233) = ( 0.0000000 0.0849057 0.3723088), wk = 0.0020576 k( 234) = ( 0.0000000 0.0943396 0.3723088), wk = 0.0020576 k( 235) = ( 0.0000000 0.1037736 0.3723088), wk = 0.0020576 k( 236) = ( 0.0000000 0.1132076 0.3723088), wk = 0.0020576 k( 237) = ( 0.0000000 0.1226415 0.3723088), wk = 0.0020576 k( 238) = ( 0.0000000 0.1320755 0.3723088), wk = 0.0020576 k( 239) = ( 0.0000000 0.1415094 0.3723088), wk = 0.0020576 k( 240) = ( 0.0000000 0.1509434 0.3723088), wk = 0.0020576 k( 241) = ( 0.0000000 0.1603774 0.3723088), wk = 0.0020576 k( 242) = ( 0.0000000 0.1698113 0.3723088), wk = 0.0020576 k( 243) = ( 0.0000000 0.1792453 0.3723088), wk = 0.0020576 k( 244) = ( 0.0000000 0.1886792 0.3723088), wk = 0.0020576 k( 245) = ( 0.0000000 0.1981132 0.3723088), wk = 0.0020576 k( 246) = ( 0.0000000 0.2075472 0.3723088), wk = 0.0020576 k( 247) = ( 0.0000000 0.2169811 0.3723088), wk = 0.0020576 k( 248) = ( 0.0000000 0.2264151 0.3723088), wk = 0.0020576 k( 249) = ( 0.0000000 0.2358491 0.3723088), wk = 0.0020576 k( 250) = ( 0.0000000 0.2452830 0.3723088), wk = 0.0020576 k( 251) = ( 0.0000000 0.2547170 0.3723088), wk = 0.0020576 k( 252) = ( 0.0000000 0.2641509 0.3723088), wk = 0.0020576 k( 253) = ( 0.0000000 0.2735849 0.3723088), wk = 0.0020576 k( 254) = ( 0.0000000 0.2830189 0.3723088), wk = 0.0020576 k( 255) = ( 0.0000000 0.2924528 0.3723088), wk = 0.0020576 k( 256) = ( 0.0000000 0.3018868 0.3723088), wk = 0.0020576 k( 257) = ( 0.0000000 0.3113207 0.3723088), wk = 0.0020576 k( 258) = ( 0.0000000 0.3207547 0.3723088), wk = 0.0020576 k( 259) = ( 0.0000000 0.3301887 0.3723088), wk = 0.0020576 k( 260) = ( 0.0000000 0.3396226 0.3723088), wk = 0.0020576 k( 261) = ( 0.0000000 0.3490566 0.3723088), wk = 0.0020576 k( 262) = ( 0.0000000 0.3584906 0.3723088), wk = 0.0020576 k( 263) = ( 0.0000000 0.3679245 0.3723088), wk = 0.0020576 k( 264) = ( 0.0000000 0.3773585 0.3723088), wk = 0.0020576 k( 265) = ( 0.0000000 0.3867925 0.3723088), wk = 0.0020576 k( 266) = ( 0.0000000 0.3962264 0.3723088), wk = 0.0020576 k( 267) = ( 0.0000000 0.4056604 0.3723088), wk = 0.0020576 k( 268) = ( 0.0000000 0.4150943 0.3723088), wk = 0.0020576 k( 269) = ( 0.0000000 0.4245283 0.3723088), wk = 0.0020576 k( 270) = ( 0.0000000 0.4339623 0.3723088), wk = 0.0020576 k( 271) = ( 0.0000000 0.4433962 0.3723088), wk = 0.0020576 k( 272) = ( 0.0000000 0.4528302 0.3723088), wk = 0.0020576 k( 273) = ( 0.0000000 0.4622641 0.3723088), wk = 0.0020576 k( 274) = ( 0.0000000 0.4716981 0.3723088), wk = 0.0020576 k( 275) = ( 0.0000000 0.4811321 0.3723088), wk = 0.0020576 k( 276) = ( 0.0000000 0.4905660 0.3723088), wk = 0.0020576 k( 277) = ( 0.0000000 0.5000000 0.3723088), wk = 0.0020576 k( 278) = ( 0.0000000 0.5000000 0.3723088), wk = 0.0020576 k( 279) = ( 0.0094340 0.5000000 0.3723088), wk = 0.0020576 k( 280) = ( 0.0188679 0.5000000 0.3723088), wk = 0.0020576 k( 281) = ( 0.0283019 0.5000000 0.3723088), wk = 0.0020576 k( 282) = ( 0.0377359 0.5000000 0.3723088), wk = 0.0020576 k( 283) = ( 0.0471698 0.5000000 0.3723088), wk = 0.0020576 k( 284) = ( 0.0566038 0.5000000 0.3723088), wk = 0.0020576 k( 285) = ( 0.0660377 0.5000000 0.3723088), wk = 0.0020576 k( 286) = ( 0.0754717 0.5000000 0.3723088), wk = 0.0020576 k( 287) = ( 0.0849057 0.5000000 0.3723088), wk = 0.0020576 k( 288) = ( 0.0943396 0.5000000 0.3723088), wk = 0.0020576 k( 289) = ( 0.1037736 0.5000000 0.3723088), wk = 0.0020576 k( 290) = ( 0.1132076 0.5000000 0.3723088), wk = 0.0020576 k( 291) = ( 0.1226415 0.5000000 0.3723088), wk = 0.0020576 k( 292) = ( 0.1320755 0.5000000 0.3723088), wk = 0.0020576 k( 293) = ( 0.1415094 0.5000000 0.3723088), wk = 0.0020576 k( 294) = ( 0.1509434 0.5000000 0.3723088), wk = 0.0020576 k( 295) = ( 0.1603774 0.5000000 0.3723088), wk = 0.0020576 k( 296) = ( 0.1698113 0.5000000 0.3723088), wk = 0.0020576 k( 297) = ( 0.1792453 0.5000000 0.3723088), wk = 0.0020576 k( 298) = ( 0.1886792 0.5000000 0.3723088), wk = 0.0020576 k( 299) = ( 0.1981132 0.5000000 0.3723088), wk = 0.0020576 k( 300) = ( 0.2075472 0.5000000 0.3723088), wk = 0.0020576 k( 301) = ( 0.2169811 0.5000000 0.3723088), wk = 0.0020576 k( 302) = ( 0.2264151 0.5000000 0.3723088), wk = 0.0020576 k( 303) = ( 0.2358491 0.5000000 0.3723088), wk = 0.0020576 k( 304) = ( 0.2452830 0.5000000 0.3723088), wk = 0.0020576 k( 305) = ( 0.2547170 0.5000000 0.3723088), wk = 0.0020576 k( 306) = ( 0.2641509 0.5000000 0.3723088), wk = 0.0020576 k( 307) = ( 0.2735849 0.5000000 0.3723088), wk = 0.0020576 k( 308) = ( 0.2830189 0.5000000 0.3723088), wk = 0.0020576 k( 309) = ( 0.2924528 0.5000000 0.3723088), wk = 0.0020576 k( 310) = ( 0.3018868 0.5000000 0.3723088), wk = 0.0020576 k( 311) = ( 0.3113207 0.5000000 0.3723088), wk = 0.0020576 k( 312) = ( 0.3207547 0.5000000 0.3723088), wk = 0.0020576 k( 313) = ( 0.3301887 0.5000000 0.3723088), wk = 0.0020576 k( 314) = ( 0.3396226 0.5000000 0.3723088), wk = 0.0020576 k( 315) = ( 0.3490566 0.5000000 0.3723088), wk = 0.0020576 k( 316) = ( 0.3584906 0.5000000 0.3723088), wk = 0.0020576 k( 317) = ( 0.3679245 0.5000000 0.3723088), wk = 0.0020576 k( 318) = ( 0.3773585 0.5000000 0.3723088), wk = 0.0020576 k( 319) = ( 0.3867925 0.5000000 0.3723088), wk = 0.0020576 k( 320) = ( 0.3962264 0.5000000 0.3723088), wk = 0.0020576 k( 321) = ( 0.4056604 0.5000000 0.3723088), wk = 0.0020576 k( 322) = ( 0.4150943 0.5000000 0.3723088), wk = 0.0020576 k( 323) = ( 0.4245283 0.5000000 0.3723088), wk = 0.0020576 k( 324) = ( 0.4339623 0.5000000 0.3723088), wk = 0.0020576 k( 325) = ( 0.4433962 0.5000000 0.3723088), wk = 0.0020576 k( 326) = ( 0.4528302 0.5000000 0.3723088), wk = 0.0020576 k( 327) = ( 0.4622641 0.5000000 0.3723088), wk = 0.0020576 k( 328) = ( 0.4716981 0.5000000 0.3723088), wk = 0.0020576 k( 329) = ( 0.4811321 0.5000000 0.3723088), wk = 0.0020576 k( 330) = ( 0.4905660 0.5000000 0.3723088), wk = 0.0020576 k( 331) = ( 0.5000000 0.5000000 0.3723088), wk = 0.0020576 k( 332) = ( 0.5000000 0.5000000 0.3723088), wk = 0.0020576 k( 333) = ( 0.4932432 0.4932432 0.3723088), wk = 0.0020576 k( 334) = ( 0.4864865 0.4864865 0.3723088), wk = 0.0020576 k( 335) = ( 0.4797297 0.4797297 0.3723088), wk = 0.0020576 k( 336) = ( 0.4729730 0.4729730 0.3723088), wk = 0.0020576 k( 337) = ( 0.4662162 0.4662162 0.3723088), wk = 0.0020576 k( 338) = ( 0.4594595 0.4594595 0.3723088), wk = 0.0020576 k( 339) = ( 0.4527027 0.4527027 0.3723088), wk = 0.0020576 k( 340) = ( 0.4459459 0.4459459 0.3723088), wk = 0.0020576 k( 341) = ( 0.4391892 0.4391892 0.3723088), wk = 0.0020576 k( 342) = ( 0.4324324 0.4324324 0.3723088), wk = 0.0020576 k( 343) = ( 0.4256757 0.4256757 0.3723088), wk = 0.0020576 k( 344) = ( 0.4189189 0.4189189 0.3723088), wk = 0.0020576 k( 345) = ( 0.4121622 0.4121622 0.3723088), wk = 0.0020576 k( 346) = ( 0.4054054 0.4054054 0.3723088), wk = 0.0020576 k( 347) = ( 0.3986486 0.3986486 0.3723088), wk = 0.0020576 k( 348) = ( 0.3918919 0.3918919 0.3723088), wk = 0.0020576 k( 349) = ( 0.3851351 0.3851351 0.3723088), wk = 0.0020576 k( 350) = ( 0.3783784 0.3783784 0.3723088), wk = 0.0020576 k( 351) = ( 0.3716216 0.3716216 0.3723088), wk = 0.0020576 k( 352) = ( 0.3648649 0.3648649 0.3723088), wk = 0.0020576 k( 353) = ( 0.3581081 0.3581081 0.3723088), wk = 0.0020576 k( 354) = ( 0.3513514 0.3513513 0.3723088), wk = 0.0020576 k( 355) = ( 0.3445946 0.3445946 0.3723088), wk = 0.0020576 k( 356) = ( 0.3378378 0.3378378 0.3723088), wk = 0.0020576 k( 357) = ( 0.3310811 0.3310811 0.3723088), wk = 0.0020576 k( 358) = ( 0.3243243 0.3243243 0.3723088), wk = 0.0020576 k( 359) = ( 0.3175676 0.3175676 0.3723088), wk = 0.0020576 k( 360) = ( 0.3108108 0.3108108 0.3723088), wk = 0.0020576 k( 361) = ( 0.3040541 0.3040540 0.3723088), wk = 0.0020576 k( 362) = ( 0.2972973 0.2972973 0.3723088), wk = 0.0020576 k( 363) = ( 0.2905405 0.2905405 0.3723088), wk = 0.0020576 k( 364) = ( 0.2837838 0.2837838 0.3723088), wk = 0.0020576 k( 365) = ( 0.2770270 0.2770270 0.3723088), wk = 0.0020576 k( 366) = ( 0.2702703 0.2702703 0.3723088), wk = 0.0020576 k( 367) = ( 0.2635135 0.2635135 0.3723088), wk = 0.0020576 k( 368) = ( 0.2567568 0.2567568 0.3723088), wk = 0.0020576 k( 369) = ( 0.2500000 0.2500000 0.3723088), wk = 0.0020576 k( 370) = ( 0.2432432 0.2432432 0.3723088), wk = 0.0020576 k( 371) = ( 0.2364865 0.2364865 0.3723088), wk = 0.0020576 k( 372) = ( 0.2297297 0.2297297 0.3723088), wk = 0.0020576 k( 373) = ( 0.2229730 0.2229730 0.3723088), wk = 0.0020576 k( 374) = ( 0.2162162 0.2162162 0.3723088), wk = 0.0020576 k( 375) = ( 0.2094595 0.2094595 0.3723088), wk = 0.0020576 k( 376) = ( 0.2027027 0.2027027 0.3723088), wk = 0.0020576 k( 377) = ( 0.1959460 0.1959459 0.3723088), wk = 0.0020576 k( 378) = ( 0.1891892 0.1891892 0.3723088), wk = 0.0020576 k( 379) = ( 0.1824324 0.1824324 0.3723088), wk = 0.0020576 k( 380) = ( 0.1756757 0.1756757 0.3723088), wk = 0.0020576 k( 381) = ( 0.1689189 0.1689189 0.3723088), wk = 0.0020576 k( 382) = ( 0.1621622 0.1621622 0.3723088), wk = 0.0020576 k( 383) = ( 0.1554054 0.1554054 0.3723088), wk = 0.0020576 k( 384) = ( 0.1486486 0.1486486 0.3723088), wk = 0.0020576 k( 385) = ( 0.1418919 0.1418919 0.3723088), wk = 0.0020576 k( 386) = ( 0.1351351 0.1351351 0.3723088), wk = 0.0020576 k( 387) = ( 0.1283784 0.1283784 0.3723088), wk = 0.0020576 k( 388) = ( 0.1216216 0.1216216 0.3723088), wk = 0.0020576 k( 389) = ( 0.1148649 0.1148649 0.3723088), wk = 0.0020576 k( 390) = ( 0.1081081 0.1081081 0.3723088), wk = 0.0020576 k( 391) = ( 0.1013514 0.1013513 0.3723088), wk = 0.0020576 k( 392) = ( 0.0945946 0.0945946 0.3723088), wk = 0.0020576 k( 393) = ( 0.0878378 0.0878378 0.3723088), wk = 0.0020576 k( 394) = ( 0.0810811 0.0810811 0.3723088), wk = 0.0020576 k( 395) = ( 0.0743243 0.0743243 0.3723088), wk = 0.0020576 k( 396) = ( 0.0675676 0.0675676 0.3723088), wk = 0.0020576 k( 397) = ( 0.0608108 0.0608108 0.3723088), wk = 0.0020576 k( 398) = ( 0.0540540 0.0540540 0.3723088), wk = 0.0020576 k( 399) = ( 0.0472973 0.0472973 0.3723088), wk = 0.0020576 k( 400) = ( 0.0405405 0.0405405 0.3723088), wk = 0.0020576 k( 401) = ( 0.0337838 0.0337838 0.3723088), wk = 0.0020576 k( 402) = ( 0.0270270 0.0270270 0.3723088), wk = 0.0020576 k( 403) = ( 0.0202703 0.0202703 0.3723088), wk = 0.0020576 k( 404) = ( 0.0135135 0.0135135 0.3723088), wk = 0.0020576 k( 405) = ( 0.0067568 0.0067568 0.3723088), wk = 0.0020576 k( 406) = ( 0.0000000 0.0000000 0.3723088), wk = 0.0020576 k( 407) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020576 k( 408) = ( 0.0000000 0.5000000 0.0095464), wk = 0.0020576 k( 409) = ( 0.0000000 0.5000000 0.0190928), wk = 0.0020576 k( 410) = ( 0.0000000 0.5000000 0.0286391), wk = 0.0020576 k( 411) = ( 0.0000000 0.5000000 0.0381855), wk = 0.0020576 k( 412) = ( 0.0000000 0.5000000 0.0477319), wk = 0.0020576 k( 413) = ( 0.0000000 0.5000000 0.0572783), wk = 0.0020576 k( 414) = ( 0.0000000 0.5000000 0.0668247), wk = 0.0020576 k( 415) = ( 0.0000000 0.5000000 0.0763710), wk = 0.0020576 k( 416) = ( 0.0000000 0.5000000 0.0859174), wk = 0.0020576 k( 417) = ( 0.0000000 0.5000000 0.0954638), wk = 0.0020576 k( 418) = ( 0.0000000 0.5000000 0.1050102), wk = 0.0020576 k( 419) = ( 0.0000000 0.5000000 0.1145566), wk = 0.0020576 k( 420) = ( 0.0000000 0.5000000 0.1241029), wk = 0.0020576 k( 421) = ( 0.0000000 0.5000000 0.1336493), wk = 0.0020576 k( 422) = ( 0.0000000 0.5000000 0.1431957), wk = 0.0020576 k( 423) = ( 0.0000000 0.5000000 0.1527421), wk = 0.0020576 k( 424) = ( 0.0000000 0.5000000 0.1622885), wk = 0.0020576 k( 425) = ( 0.0000000 0.5000000 0.1718348), wk = 0.0020576 k( 426) = ( 0.0000000 0.5000000 0.1813812), wk = 0.0020576 k( 427) = ( 0.0000000 0.5000000 0.1909276), wk = 0.0020576 k( 428) = ( 0.0000000 0.5000000 0.2004740), wk = 0.0020576 k( 429) = ( 0.0000000 0.5000000 0.2100204), wk = 0.0020576 k( 430) = ( 0.0000000 0.5000000 0.2195667), wk = 0.0020576 k( 431) = ( 0.0000000 0.5000000 0.2291131), wk = 0.0020576 k( 432) = ( 0.0000000 0.5000000 0.2386595), wk = 0.0020576 k( 433) = ( 0.0000000 0.5000000 0.2482059), wk = 0.0020576 k( 434) = ( 0.0000000 0.5000000 0.2577523), wk = 0.0020576 k( 435) = ( 0.0000000 0.5000000 0.2672987), wk = 0.0020576 k( 436) = ( 0.0000000 0.5000000 0.2768450), wk = 0.0020576 k( 437) = ( 0.0000000 0.5000000 0.2863914), wk = 0.0020576 k( 438) = ( 0.0000000 0.5000000 0.2959378), wk = 0.0020576 k( 439) = ( 0.0000000 0.5000000 0.3054842), wk = 0.0020576 k( 440) = ( 0.0000000 0.5000000 0.3150305), wk = 0.0020576 k( 441) = ( 0.0000000 0.5000000 0.3245769), wk = 0.0020576 k( 442) = ( 0.0000000 0.5000000 0.3341233), wk = 0.0020576 k( 443) = ( 0.0000000 0.5000000 0.3436697), wk = 0.0020576 k( 444) = ( 0.0000000 0.5000000 0.3532161), wk = 0.0020576 k( 445) = ( 0.0000000 0.5000000 0.3627625), wk = 0.0020576 k( 446) = ( 0.0000000 0.5000000 0.3723088), wk = 0.0020576 k( 447) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020576 k( 448) = ( 0.5000000 0.5000000 0.0095464), wk = 0.0020576 k( 449) = ( 0.5000000 0.5000000 0.0190928), wk = 0.0020576 k( 450) = ( 0.5000000 0.5000000 0.0286391), wk = 0.0020576 k( 451) = ( 0.5000000 0.5000000 0.0381855), wk = 0.0020576 k( 452) = ( 0.5000000 0.5000000 0.0477319), wk = 0.0020576 k( 453) = ( 0.5000000 0.5000000 0.0572783), wk = 0.0020576 k( 454) = ( 0.5000000 0.5000000 0.0668247), wk = 0.0020576 k( 455) = ( 0.5000000 0.5000000 0.0763710), wk = 0.0020576 k( 456) = ( 0.5000000 0.5000000 0.0859174), wk = 0.0020576 k( 457) = ( 0.5000000 0.5000000 0.0954638), wk = 0.0020576 k( 458) = ( 0.5000000 0.5000000 0.1050102), wk = 0.0020576 k( 459) = ( 0.5000000 0.5000000 0.1145566), wk = 0.0020576 k( 460) = ( 0.5000000 0.5000000 0.1241029), wk = 0.0020576 k( 461) = ( 0.5000000 0.5000000 0.1336493), wk = 0.0020576 k( 462) = ( 0.5000000 0.5000000 0.1431957), wk = 0.0020576 k( 463) = ( 0.5000000 0.5000000 0.1527421), wk = 0.0020576 k( 464) = ( 0.5000000 0.5000000 0.1622885), wk = 0.0020576 k( 465) = ( 0.5000000 0.5000000 0.1718348), wk = 0.0020576 k( 466) = ( 0.5000000 0.5000000 0.1813812), wk = 0.0020576 k( 467) = ( 0.5000000 0.5000000 0.1909276), wk = 0.0020576 k( 468) = ( 0.5000000 0.5000000 0.2004740), wk = 0.0020576 k( 469) = ( 0.5000000 0.5000000 0.2100204), wk = 0.0020576 k( 470) = ( 0.5000000 0.5000000 0.2195667), wk = 0.0020576 k( 471) = ( 0.5000000 0.5000000 0.2291131), wk = 0.0020576 k( 472) = ( 0.5000000 0.5000000 0.2386595), wk = 0.0020576 k( 473) = ( 0.5000000 0.5000000 0.2482059), wk = 0.0020576 k( 474) = ( 0.5000000 0.5000000 0.2577523), wk = 0.0020576 k( 475) = ( 0.5000000 0.5000000 0.2672987), wk = 0.0020576 k( 476) = ( 0.5000000 0.5000000 0.2768450), wk = 0.0020576 k( 477) = ( 0.5000000 0.5000000 0.2863914), wk = 0.0020576 k( 478) = ( 0.5000000 0.5000000 0.2959378), wk = 0.0020576 k( 479) = ( 0.5000000 0.5000000 0.3054842), wk = 0.0020576 k( 480) = ( 0.5000000 0.5000000 0.3150305), wk = 0.0020576 k( 481) = ( 0.5000000 0.5000000 0.3245769), wk = 0.0020576 k( 482) = ( 0.5000000 0.5000000 0.3341233), wk = 0.0020576 k( 483) = ( 0.5000000 0.5000000 0.3436697), wk = 0.0020576 k( 484) = ( 0.5000000 0.5000000 0.3532161), wk = 0.0020576 k( 485) = ( 0.5000000 0.5000000 0.3627625), wk = 0.0020576 k( 486) = ( 0.5000000 0.5000000 0.3723088), wk = 0.0020576 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 2) = ( 0.0000000 0.0094340 0.0000000), wk = 0.0020576 k( 3) = ( 0.0000000 0.0188679 0.0000000), wk = 0.0020576 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0020576 k( 5) = ( 0.0000000 0.0377359 0.0000000), wk = 0.0020576 k( 6) = ( 0.0000000 0.0471698 0.0000000), wk = 0.0020576 k( 7) = ( 0.0000000 0.0566038 0.0000000), wk = 0.0020576 k( 8) = ( 0.0000000 0.0660377 0.0000000), wk = 0.0020576 k( 9) = ( 0.0000000 0.0754717 0.0000000), wk = 0.0020576 k( 10) = ( 0.0000000 0.0849057 0.0000000), wk = 0.0020576 k( 11) = ( 0.0000000 0.0943396 0.0000000), wk = 0.0020576 k( 12) = ( 0.0000000 0.1037736 0.0000000), wk = 0.0020576 k( 13) = ( 0.0000000 0.1132076 0.0000000), wk = 0.0020576 k( 14) = ( 0.0000000 0.1226415 0.0000000), wk = 0.0020576 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0020576 k( 16) = ( 0.0000000 0.1415094 0.0000000), wk = 0.0020576 k( 17) = ( 0.0000000 0.1509434 0.0000000), wk = 0.0020576 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0020576 k( 19) = ( 0.0000000 0.1698113 0.0000000), wk = 0.0020576 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0020576 k( 21) = ( 0.0000000 0.1886792 0.0000000), wk = 0.0020576 k( 22) = ( 0.0000000 0.1981132 0.0000000), wk = 0.0020576 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0020576 k( 24) = ( 0.0000000 0.2169811 0.0000000), wk = 0.0020576 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0020576 k( 26) = ( 0.0000000 0.2358491 0.0000000), wk = 0.0020576 k( 27) = ( 0.0000000 0.2452830 0.0000000), wk = 0.0020576 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0020576 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0020576 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0020576 k( 31) = ( 0.0000000 0.2830189 0.0000000), wk = 0.0020576 k( 32) = ( 0.0000000 0.2924528 0.0000000), wk = 0.0020576 k( 33) = ( 0.0000000 0.3018868 0.0000000), wk = 0.0020576 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0020576 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0020576 k( 36) = ( 0.0000000 0.3301887 0.0000000), wk = 0.0020576 k( 37) = ( 0.0000000 0.3396226 0.0000000), wk = 0.0020576 k( 38) = ( 0.0000000 0.3490566 0.0000000), wk = 0.0020576 k( 39) = ( 0.0000000 0.3584906 0.0000000), wk = 0.0020576 k( 40) = ( 0.0000000 0.3679245 0.0000000), wk = 0.0020576 k( 41) = ( 0.0000000 0.3773585 0.0000000), wk = 0.0020576 k( 42) = ( 0.0000000 0.3867925 0.0000000), wk = 0.0020576 k( 43) = ( 0.0000000 0.3962264 0.0000000), wk = 0.0020576 k( 44) = ( 0.0000000 0.4056604 0.0000000), wk = 0.0020576 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0020576 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0020576 k( 47) = ( 0.0000000 0.4339623 0.0000000), wk = 0.0020576 k( 48) = ( 0.0000000 0.4433962 0.0000000), wk = 0.0020576 k( 49) = ( 0.0000000 0.4528302 0.0000000), wk = 0.0020576 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0020576 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0020576 k( 52) = ( 0.0000000 0.4811321 0.0000000), wk = 0.0020576 k( 53) = ( 0.0000000 0.4905660 0.0000000), wk = 0.0020576 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020576 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020576 k( 56) = ( 0.0094340 0.5000000 0.0000000), wk = 0.0020576 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0020576 k( 58) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0020576 k( 59) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0020576 k( 60) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0020576 k( 61) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0020576 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0020576 k( 63) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0020576 k( 64) = ( 0.0849057 0.5000000 0.0000000), wk = 0.0020576 k( 65) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0020576 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0020576 k( 67) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0020576 k( 68) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0020576 k( 69) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0020576 k( 70) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0020576 k( 71) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0020576 k( 72) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0020576 k( 73) = ( 0.1698113 0.5000000 0.0000000), wk = 0.0020576 k( 74) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0020576 k( 75) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0020576 k( 76) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0020576 k( 77) = ( 0.2075472 0.5000000 0.0000000), wk = 0.0020576 k( 78) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0020576 k( 79) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0020576 k( 80) = ( 0.2358491 0.5000000 0.0000000), wk = 0.0020576 k( 81) = ( 0.2452830 0.5000000 0.0000000), wk = 0.0020576 k( 82) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0020576 k( 83) = ( 0.2641509 0.5000000 0.0000000), wk = 0.0020576 k( 84) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0020576 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0020576 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0020576 k( 87) = ( 0.3018868 0.5000000 0.0000000), wk = 0.0020576 k( 88) = ( 0.3113207 0.5000000 0.0000000), wk = 0.0020576 k( 89) = ( 0.3207547 0.5000000 0.0000000), wk = 0.0020576 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0020576 k( 91) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0020576 k( 92) = ( 0.3490566 0.5000000 0.0000000), wk = 0.0020576 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0020576 k( 94) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0020576 k( 95) = ( 0.3773585 0.5000000 0.0000000), wk = 0.0020576 k( 96) = ( 0.3867925 0.5000000 0.0000000), wk = 0.0020576 k( 97) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0020576 k( 98) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0020576 k( 99) = ( 0.4150943 0.5000000 0.0000000), wk = 0.0020576 k( 100) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0020576 k( 101) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0020576 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0020576 k( 103) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0020576 k( 104) = ( 0.4622641 0.5000000 0.0000000), wk = 0.0020576 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0020576 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0020576 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0020576 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020576 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020576 k( 110) = ( 0.4932432 0.4932432 0.0000000), wk = 0.0020576 k( 111) = ( 0.4864865 0.4864865 0.0000000), wk = 0.0020576 k( 112) = ( 0.4797297 0.4797297 -0.0000000), wk = 0.0020576 k( 113) = ( 0.4729730 0.4729730 0.0000000), wk = 0.0020576 k( 114) = ( 0.4662162 0.4662162 0.0000000), wk = 0.0020576 k( 115) = ( 0.4594595 0.4594595 0.0000000), wk = 0.0020576 k( 116) = ( 0.4527027 0.4527027 0.0000000), wk = 0.0020576 k( 117) = ( 0.4459459 0.4459459 0.0000000), wk = 0.0020576 k( 118) = ( 0.4391892 0.4391892 0.0000000), wk = 0.0020576 k( 119) = ( 0.4324324 0.4324324 0.0000000), wk = 0.0020576 k( 120) = ( 0.4256757 0.4256757 0.0000000), wk = 0.0020576 k( 121) = ( 0.4189189 0.4189189 0.0000000), wk = 0.0020576 k( 122) = ( 0.4121622 0.4121622 0.0000000), wk = 0.0020576 k( 123) = ( 0.4054054 0.4054054 0.0000000), wk = 0.0020576 k( 124) = ( 0.3986486 0.3986486 0.0000000), wk = 0.0020576 k( 125) = ( 0.3918919 0.3918919 0.0000000), wk = 0.0020576 k( 126) = ( 0.3851351 0.3851351 -0.0000000), wk = 0.0020576 k( 127) = ( 0.3783784 0.3783784 0.0000000), wk = 0.0020576 k( 128) = ( 0.3716216 0.3716216 -0.0000000), wk = 0.0020576 k( 129) = ( 0.3648649 0.3648649 0.0000000), wk = 0.0020576 k( 130) = ( 0.3581081 0.3581081 0.0000000), wk = 0.0020576 k( 131) = ( 0.3513514 0.3513514 0.0000000), wk = 0.0020576 k( 132) = ( 0.3445946 0.3445946 -0.0000000), wk = 0.0020576 k( 133) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0020576 k( 134) = ( 0.3310811 0.3310811 -0.0000000), wk = 0.0020576 k( 135) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0020576 k( 136) = ( 0.3175676 0.3175676 0.0000000), wk = 0.0020576 k( 137) = ( 0.3108108 0.3108108 0.0000000), wk = 0.0020576 k( 138) = ( 0.3040541 0.3040541 0.0000000), wk = 0.0020576 k( 139) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0020576 k( 140) = ( 0.2905405 0.2905405 -0.0000000), wk = 0.0020576 k( 141) = ( 0.2837838 0.2837838 0.0000000), wk = 0.0020576 k( 142) = ( 0.2770270 0.2770270 0.0000000), wk = 0.0020576 k( 143) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0020576 k( 144) = ( 0.2635135 0.2635135 0.0000000), wk = 0.0020576 k( 145) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0020576 k( 146) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020576 k( 147) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0020576 k( 148) = ( 0.2364865 0.2364865 0.0000000), wk = 0.0020576 k( 149) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0020576 k( 150) = ( 0.2229730 0.2229730 0.0000000), wk = 0.0020576 k( 151) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0020576 k( 152) = ( 0.2094595 0.2094595 0.0000000), wk = 0.0020576 k( 153) = ( 0.2027027 0.2027027 0.0000000), wk = 0.0020576 k( 154) = ( 0.1959460 0.1959460 0.0000000), wk = 0.0020576 k( 155) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0020576 k( 156) = ( 0.1824324 0.1824324 0.0000000), wk = 0.0020576 k( 157) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0020576 k( 158) = ( 0.1689189 0.1689189 -0.0000000), wk = 0.0020576 k( 159) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0020576 k( 160) = ( 0.1554054 0.1554054 0.0000000), wk = 0.0020576 k( 161) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0020576 k( 162) = ( 0.1418919 0.1418919 0.0000000), wk = 0.0020576 k( 163) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0020576 k( 164) = ( 0.1283784 0.1283784 0.0000000), wk = 0.0020576 k( 165) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0020576 k( 166) = ( 0.1148649 0.1148649 -0.0000000), wk = 0.0020576 k( 167) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0020576 k( 168) = ( 0.1013514 0.1013514 0.0000000), wk = 0.0020576 k( 169) = ( 0.0945946 0.0945946 0.0000000), wk = 0.0020576 k( 170) = ( 0.0878378 0.0878378 -0.0000000), wk = 0.0020576 k( 171) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0020576 k( 172) = ( 0.0743243 0.0743243 0.0000000), wk = 0.0020576 k( 173) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0020576 k( 174) = ( 0.0608108 0.0608108 0.0000000), wk = 0.0020576 k( 175) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0020576 k( 176) = ( 0.0472973 0.0472973 0.0000000), wk = 0.0020576 k( 177) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0020576 k( 178) = ( 0.0337838 0.0337838 0.0000000), wk = 0.0020576 k( 179) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0020576 k( 180) = ( 0.0202703 0.0202703 -0.0000000), wk = 0.0020576 k( 181) = ( 0.0135135 0.0135135 0.0000000), wk = 0.0020576 k( 182) = ( 0.0067568 0.0067568 0.0000000), wk = 0.0020576 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 185) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0020576 k( 186) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0020576 k( 187) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0020576 k( 188) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0020576 k( 189) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0020576 k( 190) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0020576 k( 191) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0020576 k( 192) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0020576 k( 193) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0020576 k( 194) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0020576 k( 195) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0020576 k( 196) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0020576 k( 197) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020576 k( 198) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0020576 k( 199) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0020576 k( 200) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0020576 k( 201) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0020576 k( 202) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0020576 k( 203) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0020576 k( 204) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0020576 k( 205) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0020576 k( 206) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0020576 k( 207) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0020576 k( 208) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0020576 k( 209) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0020576 k( 210) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020576 k( 211) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0020576 k( 212) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0020576 k( 213) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0020576 k( 214) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0020576 k( 215) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0020576 k( 216) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0020576 k( 217) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0020576 k( 218) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0020576 k( 219) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0020576 k( 220) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0020576 k( 221) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0020576 k( 222) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0020576 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 225) = ( 0.0000000 0.0094340 0.5000000), wk = 0.0020576 k( 226) = ( 0.0000000 0.0188679 0.5000000), wk = 0.0020576 k( 227) = ( 0.0000000 0.0283019 0.5000000), wk = 0.0020576 k( 228) = ( 0.0000000 0.0377359 0.5000000), wk = 0.0020576 k( 229) = ( 0.0000000 0.0471698 0.5000000), wk = 0.0020576 k( 230) = ( 0.0000000 0.0566038 0.5000000), wk = 0.0020576 k( 231) = ( 0.0000000 0.0660377 0.5000000), wk = 0.0020576 k( 232) = ( 0.0000000 0.0754717 0.5000000), wk = 0.0020576 k( 233) = ( 0.0000000 0.0849057 0.5000000), wk = 0.0020576 k( 234) = ( 0.0000000 0.0943396 0.5000000), wk = 0.0020576 k( 235) = ( 0.0000000 0.1037736 0.5000000), wk = 0.0020576 k( 236) = ( 0.0000000 0.1132076 0.5000000), wk = 0.0020576 k( 237) = ( 0.0000000 0.1226415 0.5000000), wk = 0.0020576 k( 238) = ( 0.0000000 0.1320755 0.5000000), wk = 0.0020576 k( 239) = ( 0.0000000 0.1415094 0.5000000), wk = 0.0020576 k( 240) = ( 0.0000000 0.1509434 0.5000000), wk = 0.0020576 k( 241) = ( 0.0000000 0.1603774 0.5000000), wk = 0.0020576 k( 242) = ( 0.0000000 0.1698113 0.5000000), wk = 0.0020576 k( 243) = ( 0.0000000 0.1792453 0.5000000), wk = 0.0020576 k( 244) = ( 0.0000000 0.1886792 0.5000000), wk = 0.0020576 k( 245) = ( 0.0000000 0.1981132 0.5000000), wk = 0.0020576 k( 246) = ( 0.0000000 0.2075472 0.5000000), wk = 0.0020576 k( 247) = ( 0.0000000 0.2169811 0.5000000), wk = 0.0020576 k( 248) = ( 0.0000000 0.2264151 0.5000000), wk = 0.0020576 k( 249) = ( 0.0000000 0.2358491 0.5000000), wk = 0.0020576 k( 250) = ( 0.0000000 0.2452830 0.5000000), wk = 0.0020576 k( 251) = ( 0.0000000 0.2547170 0.5000000), wk = 0.0020576 k( 252) = ( 0.0000000 0.2641509 0.5000000), wk = 0.0020576 k( 253) = ( 0.0000000 0.2735849 0.5000000), wk = 0.0020576 k( 254) = ( 0.0000000 0.2830189 0.5000000), wk = 0.0020576 k( 255) = ( 0.0000000 0.2924528 0.5000000), wk = 0.0020576 k( 256) = ( 0.0000000 0.3018868 0.5000000), wk = 0.0020576 k( 257) = ( 0.0000000 0.3113207 0.5000000), wk = 0.0020576 k( 258) = ( 0.0000000 0.3207547 0.5000000), wk = 0.0020576 k( 259) = ( 0.0000000 0.3301887 0.5000000), wk = 0.0020576 k( 260) = ( 0.0000000 0.3396226 0.5000000), wk = 0.0020576 k( 261) = ( 0.0000000 0.3490566 0.5000000), wk = 0.0020576 k( 262) = ( 0.0000000 0.3584906 0.5000000), wk = 0.0020576 k( 263) = ( 0.0000000 0.3679245 0.5000000), wk = 0.0020576 k( 264) = ( 0.0000000 0.3773585 0.5000000), wk = 0.0020576 k( 265) = ( 0.0000000 0.3867925 0.5000000), wk = 0.0020576 k( 266) = ( 0.0000000 0.3962264 0.5000000), wk = 0.0020576 k( 267) = ( 0.0000000 0.4056604 0.5000000), wk = 0.0020576 k( 268) = ( 0.0000000 0.4150943 0.5000000), wk = 0.0020576 k( 269) = ( 0.0000000 0.4245283 0.5000000), wk = 0.0020576 k( 270) = ( 0.0000000 0.4339623 0.5000000), wk = 0.0020576 k( 271) = ( 0.0000000 0.4433962 0.5000000), wk = 0.0020576 k( 272) = ( 0.0000000 0.4528302 0.5000000), wk = 0.0020576 k( 273) = ( 0.0000000 0.4622641 0.5000000), wk = 0.0020576 k( 274) = ( 0.0000000 0.4716981 0.5000000), wk = 0.0020576 k( 275) = ( 0.0000000 0.4811321 0.5000000), wk = 0.0020576 k( 276) = ( 0.0000000 0.4905660 0.5000000), wk = 0.0020576 k( 277) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020576 k( 278) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020576 k( 279) = ( 0.0094340 0.5000000 0.5000000), wk = 0.0020576 k( 280) = ( 0.0188679 0.5000000 0.5000000), wk = 0.0020576 k( 281) = ( 0.0283019 0.5000000 0.5000000), wk = 0.0020576 k( 282) = ( 0.0377359 0.5000000 0.5000000), wk = 0.0020576 k( 283) = ( 0.0471698 0.5000000 0.5000000), wk = 0.0020576 k( 284) = ( 0.0566038 0.5000000 0.5000000), wk = 0.0020576 k( 285) = ( 0.0660377 0.5000000 0.5000000), wk = 0.0020576 k( 286) = ( 0.0754717 0.5000000 0.5000000), wk = 0.0020576 k( 287) = ( 0.0849057 0.5000000 0.5000000), wk = 0.0020576 k( 288) = ( 0.0943396 0.5000000 0.5000000), wk = 0.0020576 k( 289) = ( 0.1037736 0.5000000 0.5000000), wk = 0.0020576 k( 290) = ( 0.1132076 0.5000000 0.5000000), wk = 0.0020576 k( 291) = ( 0.1226415 0.5000000 0.5000000), wk = 0.0020576 k( 292) = ( 0.1320755 0.5000000 0.5000000), wk = 0.0020576 k( 293) = ( 0.1415094 0.5000000 0.5000000), wk = 0.0020576 k( 294) = ( 0.1509434 0.5000000 0.5000000), wk = 0.0020576 k( 295) = ( 0.1603774 0.5000000 0.5000000), wk = 0.0020576 k( 296) = ( 0.1698113 0.5000000 0.5000000), wk = 0.0020576 k( 297) = ( 0.1792453 0.5000000 0.5000000), wk = 0.0020576 k( 298) = ( 0.1886792 0.5000000 0.5000000), wk = 0.0020576 k( 299) = ( 0.1981132 0.5000000 0.5000000), wk = 0.0020576 k( 300) = ( 0.2075472 0.5000000 0.5000000), wk = 0.0020576 k( 301) = ( 0.2169811 0.5000000 0.5000000), wk = 0.0020576 k( 302) = ( 0.2264151 0.5000000 0.5000000), wk = 0.0020576 k( 303) = ( 0.2358491 0.5000000 0.5000000), wk = 0.0020576 k( 304) = ( 0.2452830 0.5000000 0.5000000), wk = 0.0020576 k( 305) = ( 0.2547170 0.5000000 0.5000000), wk = 0.0020576 k( 306) = ( 0.2641509 0.5000000 0.5000000), wk = 0.0020576 k( 307) = ( 0.2735849 0.5000000 0.5000000), wk = 0.0020576 k( 308) = ( 0.2830189 0.5000000 0.5000000), wk = 0.0020576 k( 309) = ( 0.2924528 0.5000000 0.5000000), wk = 0.0020576 k( 310) = ( 0.3018868 0.5000000 0.5000000), wk = 0.0020576 k( 311) = ( 0.3113207 0.5000000 0.5000000), wk = 0.0020576 k( 312) = ( 0.3207547 0.5000000 0.5000000), wk = 0.0020576 k( 313) = ( 0.3301887 0.5000000 0.5000000), wk = 0.0020576 k( 314) = ( 0.3396226 0.5000000 0.5000000), wk = 0.0020576 k( 315) = ( 0.3490566 0.5000000 0.5000000), wk = 0.0020576 k( 316) = ( 0.3584906 0.5000000 0.5000000), wk = 0.0020576 k( 317) = ( 0.3679245 0.5000000 0.5000000), wk = 0.0020576 k( 318) = ( 0.3773585 0.5000000 0.5000000), wk = 0.0020576 k( 319) = ( 0.3867925 0.5000000 0.5000000), wk = 0.0020576 k( 320) = ( 0.3962264 0.5000000 0.5000000), wk = 0.0020576 k( 321) = ( 0.4056604 0.5000000 0.5000000), wk = 0.0020576 k( 322) = ( 0.4150943 0.5000000 0.5000000), wk = 0.0020576 k( 323) = ( 0.4245283 0.5000000 0.5000000), wk = 0.0020576 k( 324) = ( 0.4339623 0.5000000 0.5000000), wk = 0.0020576 k( 325) = ( 0.4433962 0.5000000 0.5000000), wk = 0.0020576 k( 326) = ( 0.4528302 0.5000000 0.5000000), wk = 0.0020576 k( 327) = ( 0.4622641 0.5000000 0.5000000), wk = 0.0020576 k( 328) = ( 0.4716981 0.5000000 0.5000000), wk = 0.0020576 k( 329) = ( 0.4811321 0.5000000 0.5000000), wk = 0.0020576 k( 330) = ( 0.4905660 0.5000000 0.5000000), wk = 0.0020576 k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020576 k( 332) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020576 k( 333) = ( 0.4932432 0.4932432 0.5000000), wk = 0.0020576 k( 334) = ( 0.4864865 0.4864865 0.5000000), wk = 0.0020576 k( 335) = ( 0.4797297 0.4797297 0.5000000), wk = 0.0020576 k( 336) = ( 0.4729730 0.4729730 0.5000000), wk = 0.0020576 k( 337) = ( 0.4662162 0.4662162 0.5000000), wk = 0.0020576 k( 338) = ( 0.4594595 0.4594595 0.5000000), wk = 0.0020576 k( 339) = ( 0.4527027 0.4527027 0.5000000), wk = 0.0020576 k( 340) = ( 0.4459459 0.4459459 0.5000000), wk = 0.0020576 k( 341) = ( 0.4391892 0.4391892 0.5000000), wk = 0.0020576 k( 342) = ( 0.4324324 0.4324324 0.5000000), wk = 0.0020576 k( 343) = ( 0.4256757 0.4256757 0.5000000), wk = 0.0020576 k( 344) = ( 0.4189189 0.4189189 0.5000000), wk = 0.0020576 k( 345) = ( 0.4121622 0.4121622 0.5000000), wk = 0.0020576 k( 346) = ( 0.4054054 0.4054054 0.5000000), wk = 0.0020576 k( 347) = ( 0.3986486 0.3986486 0.5000000), wk = 0.0020576 k( 348) = ( 0.3918919 0.3918919 0.5000000), wk = 0.0020576 k( 349) = ( 0.3851351 0.3851351 0.5000000), wk = 0.0020576 k( 350) = ( 0.3783784 0.3783784 0.5000000), wk = 0.0020576 k( 351) = ( 0.3716216 0.3716216 0.5000000), wk = 0.0020576 k( 352) = ( 0.3648649 0.3648649 0.5000000), wk = 0.0020576 k( 353) = ( 0.3581081 0.3581081 0.5000000), wk = 0.0020576 k( 354) = ( 0.3513514 0.3513514 0.5000000), wk = 0.0020576 k( 355) = ( 0.3445946 0.3445946 0.5000000), wk = 0.0020576 k( 356) = ( 0.3378378 0.3378378 0.5000000), wk = 0.0020576 k( 357) = ( 0.3310811 0.3310811 0.5000000), wk = 0.0020576 k( 358) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0020576 k( 359) = ( 0.3175676 0.3175676 0.5000000), wk = 0.0020576 k( 360) = ( 0.3108108 0.3108108 0.5000000), wk = 0.0020576 k( 361) = ( 0.3040541 0.3040541 0.5000000), wk = 0.0020576 k( 362) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0020576 k( 363) = ( 0.2905405 0.2905405 0.5000000), wk = 0.0020576 k( 364) = ( 0.2837838 0.2837838 0.5000000), wk = 0.0020576 k( 365) = ( 0.2770270 0.2770270 0.5000000), wk = 0.0020576 k( 366) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0020576 k( 367) = ( 0.2635135 0.2635135 0.5000000), wk = 0.0020576 k( 368) = ( 0.2567568 0.2567568 0.5000000), wk = 0.0020576 k( 369) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020576 k( 370) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0020576 k( 371) = ( 0.2364865 0.2364865 0.5000000), wk = 0.0020576 k( 372) = ( 0.2297297 0.2297297 0.5000000), wk = 0.0020576 k( 373) = ( 0.2229730 0.2229730 0.5000000), wk = 0.0020576 k( 374) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0020576 k( 375) = ( 0.2094595 0.2094595 0.5000000), wk = 0.0020576 k( 376) = ( 0.2027027 0.2027027 0.5000000), wk = 0.0020576 k( 377) = ( 0.1959460 0.1959460 0.5000000), wk = 0.0020576 k( 378) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0020576 k( 379) = ( 0.1824324 0.1824324 0.5000000), wk = 0.0020576 k( 380) = ( 0.1756757 0.1756757 0.5000000), wk = 0.0020576 k( 381) = ( 0.1689189 0.1689189 0.5000000), wk = 0.0020576 k( 382) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0020576 k( 383) = ( 0.1554054 0.1554054 0.5000000), wk = 0.0020576 k( 384) = ( 0.1486486 0.1486486 0.5000000), wk = 0.0020576 k( 385) = ( 0.1418919 0.1418919 0.5000000), wk = 0.0020576 k( 386) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0020576 k( 387) = ( 0.1283784 0.1283784 0.5000000), wk = 0.0020576 k( 388) = ( 0.1216216 0.1216216 0.5000000), wk = 0.0020576 k( 389) = ( 0.1148649 0.1148649 0.5000000), wk = 0.0020576 k( 390) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0020576 k( 391) = ( 0.1013514 0.1013514 0.5000000), wk = 0.0020576 k( 392) = ( 0.0945946 0.0945946 0.5000000), wk = 0.0020576 k( 393) = ( 0.0878378 0.0878378 0.5000000), wk = 0.0020576 k( 394) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0020576 k( 395) = ( 0.0743243 0.0743243 0.5000000), wk = 0.0020576 k( 396) = ( 0.0675676 0.0675676 0.5000000), wk = 0.0020576 k( 397) = ( 0.0608108 0.0608108 0.5000000), wk = 0.0020576 k( 398) = ( 0.0540540 0.0540540 0.5000000), wk = 0.0020576 k( 399) = ( 0.0472973 0.0472973 0.5000000), wk = 0.0020576 k( 400) = ( 0.0405405 0.0405405 0.5000000), wk = 0.0020576 k( 401) = ( 0.0337838 0.0337838 0.5000000), wk = 0.0020576 k( 402) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0020576 k( 403) = ( 0.0202703 0.0202703 0.5000000), wk = 0.0020576 k( 404) = ( 0.0135135 0.0135135 0.5000000), wk = 0.0020576 k( 405) = ( 0.0067568 0.0067568 0.5000000), wk = 0.0020576 k( 406) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 407) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020576 k( 408) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0020576 k( 409) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0020576 k( 410) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0020576 k( 411) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0020576 k( 412) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0020576 k( 413) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0020576 k( 414) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0020576 k( 415) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0020576 k( 416) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0020576 k( 417) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0020576 k( 418) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0020576 k( 419) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0020576 k( 420) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0020576 k( 421) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0020576 k( 422) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0020576 k( 423) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0020576 k( 424) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0020576 k( 425) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0020576 k( 426) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0020576 k( 427) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0020576 k( 428) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0020576 k( 429) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0020576 k( 430) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0020576 k( 431) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0020576 k( 432) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0020576 k( 433) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0020576 k( 434) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0020576 k( 435) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0020576 k( 436) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0020576 k( 437) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0020576 k( 438) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0020576 k( 439) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0020576 k( 440) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0020576 k( 441) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0020576 k( 442) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0020576 k( 443) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0020576 k( 444) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0020576 k( 445) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0020576 k( 446) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020576 k( 447) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020576 k( 448) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0020576 k( 449) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0020576 k( 450) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0020576 k( 451) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0020576 k( 452) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0020576 k( 453) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0020576 k( 454) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0020576 k( 455) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0020576 k( 456) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0020576 k( 457) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0020576 k( 458) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0020576 k( 459) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0020576 k( 460) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0020576 k( 461) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0020576 k( 462) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0020576 k( 463) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0020576 k( 464) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0020576 k( 465) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0020576 k( 466) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0020576 k( 467) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0020576 k( 468) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0020576 k( 469) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0020576 k( 470) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0020576 k( 471) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0020576 k( 472) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0020576 k( 473) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0020576 k( 474) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0020576 k( 475) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0020576 k( 476) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0020576 k( 477) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0020576 k( 478) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0020576 k( 479) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0020576 k( 480) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0020576 k( 481) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0020576 k( 482) = ( 0.5000000 0.5000000 0.4487180), wk = 0.0020576 k( 483) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0020576 k( 484) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0020576 k( 485) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0020576 k( 486) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020576 Dense grid: 35381 G-vectors FFT dimensions: ( 40, 40, 50) Smooth grid: 23895 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 180, 32) NL pseudopotentials 0.09 Mb ( 90, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 984) G-vector shells 0.00 Mb ( 491) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 180, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) The potential is recalculated from file : ./TiHg.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 14 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 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 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.7 secs Computing kpt #: 15 total cpu time spent up to now is 4.9 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.4 secs Computing kpt #: 18 total cpu time spent up to now is 5.6 secs Computing kpt #: 19 total cpu time spent up to now is 5.9 secs Computing kpt #: 20 total cpu time spent up to now is 6.2 secs Computing kpt #: 21 total cpu time spent up to now is 6.5 secs Computing kpt #: 22 total cpu time spent up to now is 6.8 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.4 secs Computing kpt #: 25 total cpu time spent up to now is 7.7 secs Computing kpt #: 26 total cpu time spent up to now is 8.0 secs Computing kpt #: 27 total cpu time spent up to now is 8.3 secs Computing kpt #: 28 total cpu time spent up to now is 8.6 secs Computing kpt #: 29 total cpu time spent up to now is 8.9 secs Computing kpt #: 30 total cpu time spent up to now is 9.1 secs Computing kpt #: 31 total cpu time spent up to now is 9.4 secs Computing kpt #: 32 total cpu time spent up to now is 9.7 secs Computing kpt #: 33 total cpu time spent up to now is 9.9 secs Computing kpt #: 34 total cpu time spent up to now is 10.2 secs Computing kpt #: 35 total cpu time spent up to now is 10.4 secs Computing kpt #: 36 total cpu time spent up to now is 10.7 secs Computing kpt #: 37 total cpu time spent up to now is 11.0 secs Computing kpt #: 38 total cpu time spent up to now is 11.2 secs Computing kpt #: 39 total cpu time spent up to now is 11.5 secs Computing kpt #: 40 total cpu time spent up to now is 11.7 secs Computing kpt #: 41 total cpu time spent up to now is 11.9 secs Computing kpt #: 42 total cpu time spent up to now is 12.1 secs Computing kpt #: 43 total cpu time spent up to now is 12.4 secs Computing kpt #: 44 total cpu time spent up to now is 12.6 secs Computing kpt #: 45 total cpu time spent up to now is 12.8 secs Computing kpt #: 46 total cpu time spent up to now is 13.1 secs Computing kpt #: 47 total cpu time spent up to now is 13.3 secs Computing kpt #: 48 total cpu time spent up to now is 13.5 secs Computing kpt #: 49 total cpu time spent up to now is 13.8 secs Computing kpt #: 50 total cpu time spent up to now is 14.1 secs Computing kpt #: 51 total cpu time spent up to now is 14.3 secs Computing kpt #: 52 total cpu time spent up to now is 14.5 secs Computing kpt #: 53 total cpu time spent up to now is 14.8 secs Computing kpt #: 54 total cpu time spent up to now is 15.0 secs Computing kpt #: 55 total cpu time spent up to now is 15.2 secs Computing kpt #: 56 total cpu time spent up to now is 15.5 secs Computing kpt #: 57 total cpu time spent up to now is 15.7 secs Computing kpt #: 58 total cpu time spent up to now is 16.0 secs Computing kpt #: 59 total cpu time spent up to now is 16.2 secs Computing kpt #: 60 total cpu time spent up to now is 16.5 secs Computing kpt #: 61 total cpu time spent up to now is 16.8 secs Computing kpt #: 62 total cpu time spent up to now is 17.0 secs Computing kpt #: 63 total cpu time spent up to now is 17.3 secs Computing kpt #: 64 total cpu time spent up to now is 17.5 secs Computing kpt #: 65 total cpu time spent up to now is 17.8 secs Computing kpt #: 66 total cpu time spent up to now is 18.1 secs Computing kpt #: 67 total cpu time spent up to now is 18.3 secs Computing kpt #: 68 total cpu time spent up to now is 18.6 secs Computing kpt #: 69 total cpu time spent up to now is 18.8 secs Computing kpt #: 70 total cpu time spent up to now is 19.1 secs Computing kpt #: 71 total cpu time spent up to now is 19.3 secs Computing kpt #: 72 total cpu time spent up to now is 19.6 secs Computing kpt #: 73 total cpu time spent up to now is 19.8 secs Computing kpt #: 74 total cpu time spent up to now is 20.1 secs Computing kpt #: 75 total cpu time spent up to now is 20.3 secs Computing kpt #: 76 total cpu time spent up to now is 20.5 secs Computing kpt #: 77 total cpu time spent up to now is 20.8 secs Computing kpt #: 78 total cpu time spent up to now is 21.0 secs Computing kpt #: 79 total cpu time spent up to now is 21.2 secs Computing kpt #: 80 total cpu time spent up to now is 21.5 secs Computing kpt #: 81 total cpu time spent up to now is 21.7 secs Computing kpt #: 82 total cpu time spent up to now is 22.0 secs Computing kpt #: 83 total cpu time spent up to now is 22.2 secs Computing kpt #: 84 total cpu time spent up to now is 22.5 secs Computing kpt #: 85 total cpu time spent up to now is 22.7 secs Computing kpt #: 86 total cpu time spent up to now is 22.9 secs Computing kpt #: 87 total cpu time spent up to now is 23.2 secs Computing kpt #: 88 total cpu time spent up to now is 23.4 secs Computing kpt #: 89 total cpu time spent up to now is 23.6 secs Computing kpt #: 90 total cpu time spent up to now is 23.9 secs Computing kpt #: 91 total cpu time spent up to now is 24.1 secs Computing kpt #: 92 total cpu time spent up to now is 24.4 secs Computing kpt #: 93 total cpu time spent up to now is 24.6 secs Computing kpt #: 94 total cpu time spent up to now is 24.8 secs Computing kpt #: 95 total cpu time spent up to now is 25.0 secs Computing kpt #: 96 total cpu time spent up to now is 25.3 secs Computing kpt #: 97 total cpu time spent up to now is 25.5 secs Computing kpt #: 98 total cpu time spent up to now is 25.8 secs Computing kpt #: 99 total cpu time spent up to now is 26.0 secs Computing kpt #: 100 total cpu time spent up to now is 26.3 secs Computing kpt #: 101 total cpu time spent up to now is 26.7 secs Computing kpt #: 102 total cpu time spent up to now is 27.0 secs Computing kpt #: 103 total cpu time spent up to now is 27.4 secs Computing kpt #: 104 total cpu time spent up to now is 27.7 secs Computing kpt #: 105 total cpu time spent up to now is 28.0 secs Computing kpt #: 106 total cpu time spent up to now is 28.4 secs Computing kpt #: 107 total cpu time spent up to now is 28.7 secs Computing kpt #: 108 total cpu time spent up to now is 29.0 secs Computing kpt #: 109 total cpu time spent up to now is 29.2 secs Computing kpt #: 110 total cpu time spent up to now is 29.6 secs Computing kpt #: 111 total cpu time spent up to now is 29.9 secs Computing kpt #: 112 total cpu time spent up to now is 30.2 secs Computing kpt #: 113 total cpu time spent up to now is 30.4 secs Computing kpt #: 114 total cpu time spent up to now is 30.7 secs Computing kpt #: 115 total cpu time spent up to now is 30.9 secs Computing kpt #: 116 total cpu time spent up to now is 31.1 secs Computing kpt #: 117 total cpu time spent up to now is 31.4 secs Computing kpt #: 118 total cpu time spent up to now is 31.6 secs Computing kpt #: 119 total cpu time spent up to now is 31.8 secs Computing kpt #: 120 total cpu time spent up to now is 32.1 secs Computing kpt #: 121 total cpu time spent up to now is 32.3 secs Computing kpt #: 122 total cpu time spent up to now is 32.5 secs Computing kpt #: 123 total cpu time spent up to now is 32.8 secs Computing kpt #: 124 total cpu time spent up to now is 33.0 secs Computing kpt #: 125 total cpu time spent up to now is 33.3 secs Computing kpt #: 126 total cpu time spent up to now is 33.5 secs Computing kpt #: 127 total cpu time spent up to now is 33.7 secs Computing kpt #: 128 total cpu time spent up to now is 34.0 secs Computing kpt #: 129 total cpu time spent up to now is 34.2 secs Computing kpt #: 130 total cpu time spent up to now is 34.4 secs Computing kpt #: 131 total cpu time spent up to now is 34.6 secs Computing kpt #: 132 total cpu time spent up to now is 34.9 secs Computing kpt #: 133 total cpu time spent up to now is 35.1 secs Computing kpt #: 134 total cpu time spent up to now is 35.4 secs Computing kpt #: 135 total cpu time spent up to now is 35.6 secs Computing kpt #: 136 total cpu time spent up to now is 35.8 secs Computing kpt #: 137 total cpu time spent up to now is 36.1 secs Computing kpt #: 138 total cpu time spent up to now is 36.4 secs Computing kpt #: 139 total cpu time spent up to now is 36.6 secs Computing kpt #: 140 total cpu time spent up to now is 36.9 secs Computing kpt #: 141 total cpu time spent up to now is 37.1 secs Computing kpt #: 142 total cpu time spent up to now is 37.4 secs Computing kpt #: 143 total cpu time spent up to now is 37.7 secs Computing kpt #: 144 total cpu time spent up to now is 38.0 secs Computing kpt #: 145 total cpu time spent up to now is 38.3 secs Computing kpt #: 146 total cpu time spent up to now is 38.6 secs Computing kpt #: 147 total cpu time spent up to now is 38.9 secs Computing kpt #: 148 total cpu time spent up to now is 39.2 secs Computing kpt #: 149 total cpu time spent up to now is 39.5 secs Computing kpt #: 150 total cpu time spent up to now is 39.8 secs Computing kpt #: 151 total cpu time spent up to now is 40.1 secs Computing kpt #: 152 total cpu time spent up to now is 40.4 secs Computing kpt #: 153 total cpu time spent up to now is 40.7 secs Computing kpt #: 154 total cpu time spent up to now is 41.0 secs Computing kpt #: 155 total cpu time spent up to now is 41.3 secs Computing kpt #: 156 total cpu time spent up to now is 41.5 secs Computing kpt #: 157 total cpu time spent up to now is 41.8 secs Computing kpt #: 158 total cpu time spent up to now is 42.0 secs Computing kpt #: 159 total cpu time spent up to now is 42.2 secs Computing kpt #: 160 total cpu time spent up to now is 42.5 secs Computing kpt #: 161 total cpu time spent up to now is 42.7 secs Computing kpt #: 162 total cpu time spent up to now is 42.9 secs Computing kpt #: 163 total cpu time spent up to now is 43.2 secs Computing kpt #: 164 total cpu time spent up to now is 43.4 secs Computing kpt #: 165 total cpu time spent up to now is 43.6 secs Computing kpt #: 166 total cpu time spent up to now is 43.9 secs Computing kpt #: 167 total cpu time spent up to now is 44.1 secs Computing kpt #: 168 total cpu time spent up to now is 44.3 secs Computing kpt #: 169 total cpu time spent up to now is 44.6 secs Computing kpt #: 170 total cpu time spent up to now is 44.8 secs Computing kpt #: 171 total cpu time spent up to now is 45.0 secs Computing kpt #: 172 total cpu time spent up to now is 45.3 secs Computing kpt #: 173 total cpu time spent up to now is 45.5 secs Computing kpt #: 174 total cpu time spent up to now is 45.7 secs Computing kpt #: 175 total cpu time spent up to now is 46.0 secs Computing kpt #: 176 total cpu time spent up to now is 46.2 secs Computing kpt #: 177 total cpu time spent up to now is 46.4 secs Computing kpt #: 178 total cpu time spent up to now is 46.6 secs Computing kpt #: 179 total cpu time spent up to now is 46.9 secs Computing kpt #: 180 total cpu time spent up to now is 47.1 secs Computing kpt #: 181 total cpu time spent up to now is 47.3 secs Computing kpt #: 182 total cpu time spent up to now is 47.6 secs Computing kpt #: 183 total cpu time spent up to now is 47.8 secs Computing kpt #: 184 total cpu time spent up to now is 48.0 secs Computing kpt #: 185 total cpu time spent up to now is 48.3 secs Computing kpt #: 186 total cpu time spent up to now is 48.5 secs Computing kpt #: 187 total cpu time spent up to now is 48.7 secs Computing kpt #: 188 total cpu time spent up to now is 49.0 secs Computing kpt #: 189 total cpu time spent up to now is 49.2 secs Computing kpt #: 190 total cpu time spent up to now is 49.5 secs Computing kpt #: 191 total cpu time spent up to now is 49.7 secs Computing kpt #: 192 total cpu time spent up to now is 49.9 secs Computing kpt #: 193 total cpu time spent up to now is 50.2 secs Computing kpt #: 194 total cpu time spent up to now is 50.4 secs Computing kpt #: 195 total cpu time spent up to now is 50.6 secs Computing kpt #: 196 total cpu time spent up to now is 50.9 secs Computing kpt #: 197 total cpu time spent up to now is 51.1 secs Computing kpt #: 198 total cpu time spent up to now is 51.3 secs Computing kpt #: 199 total cpu time spent up to now is 51.6 secs Computing kpt #: 200 total cpu time spent up to now is 51.8 secs Computing kpt #: 201 total cpu time spent up to now is 52.1 secs Computing kpt #: 202 total cpu time spent up to now is 52.3 secs Computing kpt #: 203 total cpu time spent up to now is 52.5 secs Computing kpt #: 204 total cpu time spent up to now is 52.7 secs Computing kpt #: 205 total cpu time spent up to now is 53.0 secs Computing kpt #: 206 total cpu time spent up to now is 53.2 secs Computing kpt #: 207 total cpu time spent up to now is 53.5 secs Computing kpt #: 208 total cpu time spent up to now is 53.7 secs Computing kpt #: 209 total cpu time spent up to now is 54.0 secs Computing kpt #: 210 total cpu time spent up to now is 54.2 secs Computing kpt #: 211 total cpu time spent up to now is 54.5 secs Computing kpt #: 212 total cpu time spent up to now is 54.7 secs Computing kpt #: 213 total cpu time spent up to now is 55.0 secs Computing kpt #: 214 total cpu time spent up to now is 55.2 secs Computing kpt #: 215 total cpu time spent up to now is 55.5 secs Computing kpt #: 216 total cpu time spent up to now is 55.7 secs Computing kpt #: 217 total cpu time spent up to now is 55.9 secs Computing kpt #: 218 total cpu time spent up to now is 56.2 secs Computing kpt #: 219 total cpu time spent up to now is 56.5 secs Computing kpt #: 220 total cpu time spent up to now is 56.7 secs Computing kpt #: 221 total cpu time spent up to now is 57.0 secs Computing kpt #: 222 total cpu time spent up to now is 57.3 secs Computing kpt #: 223 total cpu time spent up to now is 57.5 secs Computing kpt #: 224 total cpu time spent up to now is 57.8 secs Computing kpt #: 225 total cpu time spent up to now is 58.0 secs Computing kpt #: 226 total cpu time spent up to now is 58.3 secs Computing kpt #: 227 total cpu time spent up to now is 58.5 secs Computing kpt #: 228 total cpu time spent up to now is 58.8 secs Computing kpt #: 229 total cpu time spent up to now is 59.1 secs Computing kpt #: 230 total cpu time spent up to now is 59.3 secs Computing kpt #: 231 total cpu time spent up to now is 59.6 secs Computing kpt #: 232 total cpu time spent up to now is 59.9 secs Computing kpt #: 233 total cpu time spent up to now is 60.1 secs Computing kpt #: 234 total cpu time spent up to now is 60.4 secs Computing kpt #: 235 total cpu time spent up to now is 60.7 secs Computing kpt #: 236 total cpu time spent up to now is 60.9 secs Computing kpt #: 237 total cpu time spent up to now is 61.2 secs Computing kpt #: 238 total cpu time spent up to now is 61.4 secs Computing kpt #: 239 total cpu time spent up to now is 61.7 secs Computing kpt #: 240 total cpu time spent up to now is 61.9 secs Computing kpt #: 241 total cpu time spent up to now is 62.2 secs Computing kpt #: 242 total cpu time spent up to now is 62.4 secs Computing kpt #: 243 total cpu time spent up to now is 62.7 secs Computing kpt #: 244 total cpu time spent up to now is 62.9 secs Computing kpt #: 245 total cpu time spent up to now is 63.2 secs Computing kpt #: 246 total cpu time spent up to now is 63.4 secs Computing kpt #: 247 total cpu time spent up to now is 63.7 secs Computing kpt #: 248 total cpu time spent up to now is 63.9 secs Computing kpt #: 249 total cpu time spent up to now is 64.1 secs Computing kpt #: 250 total cpu time spent up to now is 64.4 secs Computing kpt #: 251 total cpu time spent up to now is 64.6 secs Computing kpt #: 252 total cpu time spent up to now is 64.9 secs Computing kpt #: 253 total cpu time spent up to now is 65.2 secs Computing kpt #: 254 total cpu time spent up to now is 65.4 secs Computing kpt #: 255 total cpu time spent up to now is 65.7 secs Computing kpt #: 256 total cpu time spent up to now is 65.9 secs Computing kpt #: 257 total cpu time spent up to now is 66.1 secs Computing kpt #: 258 total cpu time spent up to now is 66.4 secs Computing kpt #: 259 total cpu time spent up to now is 66.7 secs Computing kpt #: 260 total cpu time spent up to now is 66.9 secs Computing kpt #: 261 total cpu time spent up to now is 67.2 secs Computing kpt #: 262 total cpu time spent up to now is 67.4 secs Computing kpt #: 263 total cpu time spent up to now is 67.7 secs Computing kpt #: 264 total cpu time spent up to now is 67.9 secs Computing kpt #: 265 total cpu time spent up to now is 68.2 secs Computing kpt #: 266 total cpu time spent up to now is 68.4 secs Computing kpt #: 267 total cpu time spent up to now is 68.7 secs Computing kpt #: 268 total cpu time spent up to now is 68.9 secs Computing kpt #: 269 total cpu time spent up to now is 69.2 secs Computing kpt #: 270 total cpu time spent up to now is 69.5 secs Computing kpt #: 271 total cpu time spent up to now is 69.7 secs Computing kpt #: 272 total cpu time spent up to now is 70.0 secs Computing kpt #: 273 total cpu time spent up to now is 70.3 secs Computing kpt #: 274 total cpu time spent up to now is 70.6 secs Computing kpt #: 275 total cpu time spent up to now is 70.9 secs Computing kpt #: 276 total cpu time spent up to now is 71.2 secs Computing kpt #: 277 total cpu time spent up to now is 71.4 secs Computing kpt #: 278 total cpu time spent up to now is 71.7 secs Computing kpt #: 279 total cpu time spent up to now is 71.9 secs Computing kpt #: 280 total cpu time spent up to now is 72.2 secs Computing kpt #: 281 total cpu time spent up to now is 72.5 secs Computing kpt #: 282 total cpu time spent up to now is 72.7 secs Computing kpt #: 283 total cpu time spent up to now is 73.0 secs Computing kpt #: 284 total cpu time spent up to now is 73.3 secs Computing kpt #: 285 total cpu time spent up to now is 73.5 secs Computing kpt #: 286 total cpu time spent up to now is 73.8 secs Computing kpt #: 287 total cpu time spent up to now is 74.0 secs Computing kpt #: 288 total cpu time spent up to now is 74.3 secs Computing kpt #: 289 total cpu time spent up to now is 74.6 secs Computing kpt #: 290 total cpu time spent up to now is 74.9 secs Computing kpt #: 291 total cpu time spent up to now is 75.1 secs Computing kpt #: 292 total cpu time spent up to now is 75.4 secs Computing kpt #: 293 total cpu time spent up to now is 75.6 secs Computing kpt #: 294 total cpu time spent up to now is 75.9 secs Computing kpt #: 295 total cpu time spent up to now is 76.2 secs Computing kpt #: 296 total cpu time spent up to now is 76.5 secs Computing kpt #: 297 total cpu time spent up to now is 76.8 secs Computing kpt #: 298 total cpu time spent up to now is 77.0 secs Computing kpt #: 299 total cpu time spent up to now is 77.3 secs Computing kpt #: 300 total cpu time spent up to now is 77.7 secs Computing kpt #: 301 total cpu time spent up to now is 78.0 secs Computing kpt #: 302 total cpu time spent up to now is 78.3 secs Computing kpt #: 303 total cpu time spent up to now is 78.5 secs Computing kpt #: 304 total cpu time spent up to now is 78.8 secs Computing kpt #: 305 total cpu time spent up to now is 79.0 secs Computing kpt #: 306 total cpu time spent up to now is 79.3 secs Computing kpt #: 307 total cpu time spent up to now is 79.5 secs Computing kpt #: 308 total cpu time spent up to now is 79.8 secs Computing kpt #: 309 total cpu time spent up to now is 80.1 secs Computing kpt #: 310 total cpu time spent up to now is 80.4 secs Computing kpt #: 311 total cpu time spent up to now is 80.7 secs Computing kpt #: 312 total cpu time spent up to now is 80.9 secs Computing kpt #: 313 total cpu time spent up to now is 81.2 secs Computing kpt #: 314 total cpu time spent up to now is 81.5 secs Computing kpt #: 315 total cpu time spent up to now is 81.8 secs Computing kpt #: 316 total cpu time spent up to now is 82.1 secs Computing kpt #: 317 total cpu time spent up to now is 82.4 secs Computing kpt #: 318 total cpu time spent up to now is 82.7 secs Computing kpt #: 319 total cpu time spent up to now is 83.0 secs Computing kpt #: 320 total cpu time spent up to now is 83.3 secs Computing kpt #: 321 total cpu time spent up to now is 83.6 secs Computing kpt #: 322 total cpu time spent up to now is 83.9 secs Computing kpt #: 323 total cpu time spent up to now is 84.2 secs Computing kpt #: 324 total cpu time spent up to now is 84.5 secs Computing kpt #: 325 total cpu time spent up to now is 84.8 secs Computing kpt #: 326 total cpu time spent up to now is 85.1 secs Computing kpt #: 327 total cpu time spent up to now is 85.3 secs Computing kpt #: 328 total cpu time spent up to now is 85.6 secs Computing kpt #: 329 total cpu time spent up to now is 85.9 secs Computing kpt #: 330 total cpu time spent up to now is 86.3 secs Computing kpt #: 331 total cpu time spent up to now is 86.5 secs Computing kpt #: 332 total cpu time spent up to now is 86.8 secs Computing kpt #: 333 total cpu time spent up to now is 87.1 secs Computing kpt #: 334 total cpu time spent up to now is 87.4 secs Computing kpt #: 335 total cpu time spent up to now is 87.7 secs Computing kpt #: 336 total cpu time spent up to now is 88.0 secs Computing kpt #: 337 total cpu time spent up to now is 88.3 secs Computing kpt #: 338 total cpu time spent up to now is 88.6 secs Computing kpt #: 339 total cpu time spent up to now is 88.9 secs Computing kpt #: 340 total cpu time spent up to now is 89.2 secs Computing kpt #: 341 total cpu time spent up to now is 89.5 secs Computing kpt #: 342 total cpu time spent up to now is 89.8 secs Computing kpt #: 343 total cpu time spent up to now is 90.2 secs Computing kpt #: 344 total cpu time spent up to now is 90.5 secs Computing kpt #: 345 total cpu time spent up to now is 90.8 secs Computing kpt #: 346 total cpu time spent up to now is 91.1 secs Computing kpt #: 347 total cpu time spent up to now is 91.5 secs Computing kpt #: 348 total cpu time spent up to now is 91.8 secs Computing kpt #: 349 total cpu time spent up to now is 92.1 secs Computing kpt #: 350 total cpu time spent up to now is 92.4 secs Computing kpt #: 351 total cpu time spent up to now is 92.7 secs Computing kpt #: 352 total cpu time spent up to now is 92.9 secs Computing kpt #: 353 total cpu time spent up to now is 93.2 secs Computing kpt #: 354 total cpu time spent up to now is 93.5 secs Computing kpt #: 355 total cpu time spent up to now is 93.8 secs Computing kpt #: 356 total cpu time spent up to now is 94.1 secs Computing kpt #: 357 total cpu time spent up to now is 94.3 secs Computing kpt #: 358 total cpu time spent up to now is 94.6 secs Computing kpt #: 359 total cpu time spent up to now is 94.8 secs Computing kpt #: 360 total cpu time spent up to now is 95.1 secs Computing kpt #: 361 total cpu time spent up to now is 95.3 secs Computing kpt #: 362 total cpu time spent up to now is 95.6 secs Computing kpt #: 363 total cpu time spent up to now is 95.8 secs Computing kpt #: 364 total cpu time spent up to now is 96.1 secs Computing kpt #: 365 total cpu time spent up to now is 96.3 secs Computing kpt #: 366 total cpu time spent up to now is 96.5 secs Computing kpt #: 367 total cpu time spent up to now is 96.8 secs Computing kpt #: 368 total cpu time spent up to now is 97.0 secs Computing kpt #: 369 total cpu time spent up to now is 97.2 secs Computing kpt #: 370 total cpu time spent up to now is 97.5 secs Computing kpt #: 371 total cpu time spent up to now is 97.7 secs Computing kpt #: 372 total cpu time spent up to now is 97.9 secs Computing kpt #: 373 total cpu time spent up to now is 98.2 secs Computing kpt #: 374 total cpu time spent up to now is 98.4 secs Computing kpt #: 375 total cpu time spent up to now is 98.6 secs Computing kpt #: 376 total cpu time spent up to now is 98.9 secs Computing kpt #: 377 total cpu time spent up to now is 99.1 secs Computing kpt #: 378 total cpu time spent up to now is 99.3 secs Computing kpt #: 379 total cpu time spent up to now is 99.5 secs Computing kpt #: 380 total cpu time spent up to now is 99.8 secs Computing kpt #: 381 total cpu time spent up to now is 100.0 secs Computing kpt #: 382 total cpu time spent up to now is 100.2 secs Computing kpt #: 383 total cpu time spent up to now is 100.5 secs Computing kpt #: 384 total cpu time spent up to now is 100.7 secs Computing kpt #: 385 total cpu time spent up to now is 101.0 secs Computing kpt #: 386 total cpu time spent up to now is 101.2 secs Computing kpt #: 387 total cpu time spent up to now is 101.5 secs Computing kpt #: 388 total cpu time spent up to now is 101.7 secs Computing kpt #: 389 total cpu time spent up to now is 102.0 secs Computing kpt #: 390 total cpu time spent up to now is 102.2 secs Computing kpt #: 391 total cpu time spent up to now is 102.5 secs Computing kpt #: 392 total cpu time spent up to now is 102.8 secs Computing kpt #: 393 total cpu time spent up to now is 103.0 secs Computing kpt #: 394 total cpu time spent up to now is 103.3 secs Computing kpt #: 395 total cpu time spent up to now is 103.5 secs Computing kpt #: 396 total cpu time spent up to now is 103.8 secs Computing kpt #: 397 total cpu time spent up to now is 104.1 secs Computing kpt #: 398 total cpu time spent up to now is 104.3 secs Computing kpt #: 399 total cpu time spent up to now is 104.6 secs Computing kpt #: 400 total cpu time spent up to now is 104.9 secs Computing kpt #: 401 total cpu time spent up to now is 105.2 secs Computing kpt #: 402 total cpu time spent up to now is 105.4 secs Computing kpt #: 403 total cpu time spent up to now is 105.7 secs Computing kpt #: 404 total cpu time spent up to now is 105.9 secs Computing kpt #: 405 total cpu time spent up to now is 106.2 secs Computing kpt #: 406 total cpu time spent up to now is 106.4 secs Computing kpt #: 407 total cpu time spent up to now is 106.7 secs Computing kpt #: 408 total cpu time spent up to now is 106.9 secs Computing kpt #: 409 total cpu time spent up to now is 107.1 secs Computing kpt #: 410 total cpu time spent up to now is 107.4 secs Computing kpt #: 411 total cpu time spent up to now is 107.6 secs Computing kpt #: 412 total cpu time spent up to now is 107.8 secs Computing kpt #: 413 total cpu time spent up to now is 108.1 secs Computing kpt #: 414 total cpu time spent up to now is 108.3 secs Computing kpt #: 415 total cpu time spent up to now is 108.5 secs Computing kpt #: 416 total cpu time spent up to now is 108.8 secs Computing kpt #: 417 total cpu time spent up to now is 109.0 secs Computing kpt #: 418 total cpu time spent up to now is 109.2 secs Computing kpt #: 419 total cpu time spent up to now is 109.5 secs Computing kpt #: 420 total cpu time spent up to now is 109.7 secs Computing kpt #: 421 total cpu time spent up to now is 109.9 secs Computing kpt #: 422 total cpu time spent up to now is 110.2 secs Computing kpt #: 423 total cpu time spent up to now is 110.4 secs Computing kpt #: 424 total cpu time spent up to now is 110.7 secs Computing kpt #: 425 total cpu time spent up to now is 110.9 secs Computing kpt #: 426 total cpu time spent up to now is 111.2 secs Computing kpt #: 427 total cpu time spent up to now is 111.5 secs Computing kpt #: 428 total cpu time spent up to now is 111.7 secs Computing kpt #: 429 total cpu time spent up to now is 112.0 secs Computing kpt #: 430 total cpu time spent up to now is 112.3 secs Computing kpt #: 431 total cpu time spent up to now is 112.5 secs Computing kpt #: 432 total cpu time spent up to now is 112.8 secs Computing kpt #: 433 total cpu time spent up to now is 113.1 secs Computing kpt #: 434 total cpu time spent up to now is 113.4 secs Computing kpt #: 435 total cpu time spent up to now is 113.7 secs Computing kpt #: 436 total cpu time spent up to now is 114.0 secs Computing kpt #: 437 total cpu time spent up to now is 114.2 secs Computing kpt #: 438 total cpu time spent up to now is 114.5 secs Computing kpt #: 439 total cpu time spent up to now is 114.8 secs Computing kpt #: 440 total cpu time spent up to now is 115.1 secs Computing kpt #: 441 total cpu time spent up to now is 115.4 secs Computing kpt #: 442 total cpu time spent up to now is 115.6 secs Computing kpt #: 443 total cpu time spent up to now is 115.9 secs Computing kpt #: 444 total cpu time spent up to now is 116.2 secs Computing kpt #: 445 total cpu time spent up to now is 116.4 secs Computing kpt #: 446 total cpu time spent up to now is 116.7 secs Computing kpt #: 447 total cpu time spent up to now is 117.0 secs Computing kpt #: 448 total cpu time spent up to now is 117.3 secs Computing kpt #: 449 total cpu time spent up to now is 117.6 secs Computing kpt #: 450 total cpu time spent up to now is 117.9 secs Computing kpt #: 451 total cpu time spent up to now is 118.3 secs Computing kpt #: 452 total cpu time spent up to now is 118.6 secs Computing kpt #: 453 total cpu time spent up to now is 118.9 secs Computing kpt #: 454 total cpu time spent up to now is 119.2 secs Computing kpt #: 455 total cpu time spent up to now is 119.5 secs Computing kpt #: 456 total cpu time spent up to now is 119.9 secs Computing kpt #: 457 total cpu time spent up to now is 120.2 secs Computing kpt #: 458 total cpu time spent up to now is 120.6 secs Computing kpt #: 459 total cpu time spent up to now is 120.9 secs Computing kpt #: 460 total cpu time spent up to now is 121.3 secs Computing kpt #: 461 total cpu time spent up to now is 121.7 secs Computing kpt #: 462 total cpu time spent up to now is 122.1 secs Computing kpt #: 463 total cpu time spent up to now is 122.4 secs Computing kpt #: 464 total cpu time spent up to now is 122.8 secs Computing kpt #: 465 total cpu time spent up to now is 123.2 secs Computing kpt #: 466 total cpu time spent up to now is 123.6 secs Computing kpt #: 467 total cpu time spent up to now is 124.0 secs Computing kpt #: 468 total cpu time spent up to now is 124.4 secs Computing kpt #: 469 total cpu time spent up to now is 124.8 secs Computing kpt #: 470 total cpu time spent up to now is 125.1 secs Computing kpt #: 471 total cpu time spent up to now is 125.5 secs Computing kpt #: 472 total cpu time spent up to now is 125.8 secs Computing kpt #: 473 total cpu time spent up to now is 126.2 secs Computing kpt #: 474 total cpu time spent up to now is 126.5 secs Computing kpt #: 475 total cpu time spent up to now is 126.8 secs Computing kpt #: 476 total cpu time spent up to now is 127.2 secs Computing kpt #: 477 total cpu time spent up to now is 127.5 secs Computing kpt #: 478 total cpu time spent up to now is 127.8 secs Computing kpt #: 479 total cpu time spent up to now is 128.1 secs Computing kpt #: 480 total cpu time spent up to now is 128.4 secs Computing kpt #: 481 total cpu time spent up to now is 128.7 secs Computing kpt #: 482 total cpu time spent up to now is 129.0 secs Computing kpt #: 483 total cpu time spent up to now is 129.3 secs Computing kpt #: 484 total cpu time spent up to now is 129.6 secs Computing kpt #: 485 total cpu time spent up to now is 129.9 secs Computing kpt #: 486 total cpu time spent up to now is 130.2 secs ethr = 4.17E-08, avg # of iterations = 21.7 total cpu time spent up to now is 130.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2977 PWs) bands (ev): -42.4927 -42.4927 -19.1384 -19.1384 -18.5012 -18.5012 -18.3060 -18.3060 5.2282 5.2282 5.6902 5.6902 6.0726 6.0726 7.7769 7.7769 7.8884 7.8884 8.6385 8.6385 14.1767 14.1767 14.3415 14.3415 15.7521 15.7521 16.5378 16.5378 16.5947 16.5947 17.1306 17.1306 k = 0.0000 0.0094-0.0000 ( 2989 PWs) bands (ev): -42.4927 -42.4927 -19.1384 -19.1384 -18.5013 -18.5013 -18.3061 -18.3061 5.2300 5.2300 5.6908 5.6908 6.0729 6.0729 7.7768 7.7768 7.8881 7.8881 8.6379 8.6379 14.1773 14.1773 14.3419 14.3419 15.7424 15.7424 16.5430 16.5430 16.6010 16.6010 17.1290 17.1290 k = 0.0000 0.0189-0.0000 ( 2989 PWs) bands (ev): -42.4927 -42.4927 -19.1385 -19.1385 -18.5015 -18.5015 -18.3064 -18.3064 5.2353 5.2353 5.6926 5.6926 6.0740 6.0740 7.7767 7.7767 7.8874 7.8874 8.6363 8.6363 14.1790 14.1790 14.3434 14.3434 15.7146 15.7146 16.5522 16.5522 16.6248 16.6248 17.1244 17.1244 k = 0.0000 0.0283-0.0000 ( 2989 PWs) bands (ev): -42.4925 -42.4925 -19.1386 -19.1386 -18.5018 -18.5018 -18.3070 -18.3070 5.2441 5.2441 5.6955 5.6955 6.0757 6.0757 7.7764 7.7764 7.8863 7.8863 8.6336 8.6336 14.1818 14.1818 14.3458 14.3458 15.6726 15.6726 16.5573 16.5573 16.6703 16.6703 17.1167 17.1167 k = 0.0000 0.0377-0.0000 ( 2985 PWs) bands (ev): -42.4924 -42.4924 -19.1388 -19.1388 -18.5022 -18.5022 -18.3077 -18.3077 5.2564 5.2564 5.6997 5.6997 6.0781 6.0781 7.7760 7.7760 7.8848 7.8848 8.6298 8.6298 14.1855 14.1855 14.3494 14.3494 15.6203 15.6203 16.5590 16.5590 16.7332 16.7332 17.1060 17.1060 k = 0.0000 0.0472-0.0000 ( 2991 PWs) bands (ev): -42.4922 -42.4922 -19.1391 -19.1391 -18.5027 -18.5027 -18.3087 -18.3087 5.2719 5.2719 5.7052 5.7052 6.0812 6.0812 7.7754 7.7754 7.8830 7.8830 8.6249 8.6249 14.1899 14.1899 14.3542 14.3542 15.5611 15.5611 16.5589 16.5589 16.8081 16.8081 17.0924 17.0924 k = 0.0000 0.0566-0.0000 ( 2995 PWs) bands (ev): -42.4919 -42.4919 -19.1393 -19.1393 -18.5033 -18.5033 -18.3098 -18.3098 5.2906 5.2906 5.7121 5.7121 6.0850 6.0850 7.7745 7.7745 7.8810 7.8810 8.6191 8.6191 14.1948 14.1948 14.3605 14.3605 15.4975 15.4975 16.5578 16.5578 16.8918 16.8918 17.0760 17.0760 k = 0.0000 0.0660-0.0000 ( 2991 PWs) bands (ev): -42.4916 -42.4916 -19.1397 -19.1397 -18.5041 -18.5041 -18.3112 -18.3112 5.3122 5.3122 5.7206 5.7206 6.0895 6.0895 7.7734 7.7734 7.8789 7.8789 8.6123 8.6123 14.1998 14.1998 14.3685 14.3685 15.4313 15.4313 16.5560 16.5560 16.9821 16.9821 17.0572 17.0572 k = 0.0000 0.0755-0.0000 ( 2987 PWs) bands (ev): -42.4913 -42.4913 -19.1401 -19.1401 -18.5050 -18.5050 -18.3127 -18.3127 5.3365 5.3365 5.7308 5.7308 6.0947 6.0947 7.7718 7.7718 7.8768 7.8768 8.6046 8.6046 14.2047 14.2047 14.3782 14.3782 15.3637 15.3637 16.5538 16.5538 17.0343 17.0343 17.0792 17.0792 k = 0.0000 0.0849-0.0000 ( 2987 PWs) bands (ev): -42.4909 -42.4909 -19.1405 -19.1405 -18.5061 -18.5061 -18.3143 -18.3143 5.3631 5.3631 5.7429 5.7429 6.1007 6.1007 7.7698 7.7698 7.8749 7.8749 8.5961 8.5961 14.2092 14.2092 14.3899 14.3899 15.2955 15.2955 16.5511 16.5511 17.0108 17.0108 17.1791 17.1791 k = 0.0000 0.0943-0.0000 ( 2983 PWs) bands (ev): -42.4904 -42.4904 -19.1410 -19.1410 -18.5072 -18.5072 -18.3161 -18.3161 5.3915 5.3915 5.7573 5.7573 6.1075 6.1075 7.7673 7.7673 7.8733 7.8733 8.5868 8.5868 14.2131 14.2131 14.4034 14.4034 15.2271 15.2271 16.5481 16.5481 16.9847 16.9847 17.2833 17.2833 k = 0.0000 0.1038-0.0000 ( 2986 PWs) bands (ev): -42.4900 -42.4900 -19.1416 -19.1416 -18.5086 -18.5086 -18.3180 -18.3180 5.4212 5.4212 5.7744 5.7744 6.1151 6.1151 7.7644 7.7644 7.8720 7.8720 8.5767 8.5767 14.2164 14.2164 14.4188 14.4188 15.1592 15.1592 16.5447 16.5447 16.9564 16.9564 17.3910 17.3910 k = 0.0000 0.1132-0.0000 ( 2986 PWs) bands (ev): -42.4895 -42.4895 -19.1422 -19.1422 -18.5100 -18.5100 -18.3200 -18.3200 5.4514 5.4514 5.7944 5.7944 6.1239 6.1239 7.7609 7.7609 7.8712 7.8712 8.5661 8.5661 14.2188 14.2188 14.4358 14.4358 15.0920 15.0920 16.5410 16.5410 16.9262 16.9262 17.5019 17.5019 k = 0.0000 0.1226-0.0000 ( 2986 PWs) bands (ev): -42.4889 -42.4889 -19.1428 -19.1428 -18.5116 -18.5116 -18.3221 -18.3221 5.4816 5.4816 5.8179 5.8179 6.1339 6.1339 7.7570 7.7570 7.8709 7.8709 8.5549 8.5549 14.2206 14.2206 14.4541 14.4541 15.0257 15.0257 16.5371 16.5371 16.8944 16.8944 17.6155 17.6155 k = 0.0000 0.1321-0.0000 ( 2986 PWs) bands (ev): -42.4884 -42.4884 -19.1436 -19.1436 -18.5134 -18.5134 -18.3243 -18.3243 5.5108 5.5108 5.8449 5.8449 6.1455 6.1455 7.7528 7.7528 7.8710 7.8710 8.5432 8.5432 14.2215 14.2215 14.4733 14.4733 14.9608 14.9608 16.5328 16.5328 16.8611 16.8611 17.7318 17.7318 k = 0.0000 0.1415-0.0000 ( 2990 PWs) bands (ev): -42.4877 -42.4877 -19.1443 -19.1443 -18.5153 -18.5153 -18.3264 -18.3264 5.5385 5.5385 5.8755 5.8755 6.1593 6.1593 7.7483 7.7483 7.8717 7.8717 8.5312 8.5312 14.2218 14.2218 14.4927 14.4927 14.8975 14.8975 16.5282 16.5282 16.8264 16.8264 17.8504 17.8504 k = 0.0000 0.1509-0.0000 ( 2986 PWs) bands (ev): -42.4871 -42.4871 -19.1452 -19.1452 -18.5174 -18.5174 -18.3287 -18.3287 5.5643 5.5643 5.9089 5.9089 6.1762 6.1762 7.7438 7.7438 7.8728 7.8728 8.5189 8.5189 14.2214 14.2214 14.5114 14.5114 14.8364 14.8364 16.5234 16.5234 16.7906 16.7906 17.9711 17.9711 k = 0.0000 0.1604-0.0000 ( 2988 PWs) bands (ev): -42.4864 -42.4864 -19.1461 -19.1461 -18.5196 -18.5196 -18.3309 -18.3309 5.5877 5.5877 5.9440 5.9440 6.1975 6.1975 7.7394 7.7394 7.8743 7.8743 8.5065 8.5065 14.2204 14.2204 14.5280 14.5280 14.7787 14.7787 16.5184 16.5184 16.7539 16.7539 18.0937 18.0937 k = 0.0000 0.1698-0.0000 ( 2984 PWs) bands (ev): -42.4858 -42.4858 -19.1470 -19.1470 -18.5220 -18.5220 -18.3331 -18.3331 5.6090 5.6090 5.9786 5.9786 6.2250 6.2250 7.7353 7.7353 7.8763 7.8763 8.4939 8.4939 14.2188 14.2188 14.5393 14.5393 14.7269 14.7269 16.5131 16.5131 16.7165 16.7165 18.2177 18.2177 k = 0.0000 0.1792-0.0000 ( 2978 PWs) bands (ev): -42.4850 -42.4850 -19.1481 -19.1481 -18.5245 -18.5245 -18.3352 -18.3352 5.6283 5.6283 6.0105 6.0105 6.2605 6.2605 7.7316 7.7316 7.8786 7.8786 8.4815 8.4815 14.2167 14.2167 14.5390 14.5390 14.6868 14.6868 16.5076 16.5076 16.6784 16.6784 18.3426 18.3426 k = 0.0000 0.1887-0.0000 ( 2976 PWs) bands (ev): -42.4843 -42.4843 -19.1491 -19.1491 -18.5272 -18.5272 -18.3373 -18.3373 5.6458 5.6458 6.0378 6.0378 6.3053 6.3053 7.7287 7.7287 7.8812 7.8812 8.4691 8.4691 14.2140 14.2140 14.5191 14.5191 14.6661 14.6661 16.5017 16.5017 16.6400 16.6400 18.4674 18.4674 k = 0.0000 0.1981-0.0000 ( 2974 PWs) bands (ev): -42.4835 -42.4835 -19.1503 -19.1503 -18.5300 -18.5300 -18.3394 -18.3394 5.6618 5.6618 6.0601 6.0601 6.3594 6.3594 7.7266 7.7266 7.8843 7.8843 8.4570 8.4570 14.2106 14.2106 14.4811 14.4811 14.6625 14.6625 16.4956 16.4956 16.6016 16.6016 18.5902 18.5902 k = 0.0000 0.2075-0.0000 ( 2974 PWs) bands (ev): -42.4828 -42.4828 -19.1514 -19.1514 -18.5330 -18.5330 -18.3414 -18.3414 5.6765 5.6765 6.0777 6.0777 6.4216 6.4216 7.7255 7.7255 7.8879 7.8879 8.4453 8.4453 14.2065 14.2065 14.4342 14.4342 14.6662 14.6662 16.4888 16.4888 16.5634 16.5634 18.7069 18.7069 k = 0.0000 0.2170-0.0000 ( 2974 PWs) bands (ev): -42.4820 -42.4820 -19.1527 -19.1527 -18.5361 -18.5361 -18.3433 -18.3433 5.6902 5.6902 6.0916 6.0916 6.4905 6.4905 7.7257 7.7257 7.8920 7.8920 8.4340 8.4340 14.2016 14.2016 14.3843 14.3843 14.6706 14.6706 16.4805 16.4805 16.5267 16.5267 18.8072 18.8072 k = 0.0000 0.2264-0.0000 ( 2976 PWs) bands (ev): -42.4812 -42.4812 -19.1540 -19.1540 -18.5392 -18.5392 -18.3451 -18.3451 5.7030 5.7030 6.1026 6.1026 6.5645 6.5645 7.7274 7.7274 7.8970 7.8970 8.4233 8.4233 14.1954 14.1954 14.3341 14.3341 14.6724 14.6724 16.4661 16.4661 16.4962 16.4962 18.8665 18.8665 k = 0.0000 0.2358-0.0000 ( 2978 PWs) bands (ev): -42.4804 -42.4804 -19.1553 -19.1553 -18.5425 -18.5425 -18.3468 -18.3468 5.7151 5.7151 6.1114 6.1114 6.6422 6.6422 7.7305 7.7305 7.9032 7.9032 8.4133 8.4133 14.1871 14.1871 14.2854 14.2854 14.6698 14.6698 16.4373 16.4373 16.4802 16.4802 18.8518 18.8518 k = 0.0000 0.2453-0.0000 ( 2974 PWs) bands (ev): -42.4796 -42.4796 -19.1567 -19.1567 -18.5459 -18.5459 -18.3484 -18.3484 5.7265 5.7265 6.1184 6.1184 6.7222 6.7222 7.7354 7.7354 7.9111 7.9111 8.4040 8.4040 14.1742 14.1742 14.2410 14.2410 14.6616 14.6616 16.4017 16.4017 16.4714 16.4714 18.7742 18.7742 k = 0.0000 0.2547-0.0000 ( 2980 PWs) bands (ev): -42.4788 -42.4788 -19.1581 -19.1581 -18.5493 -18.5493 -18.3499 -18.3499 5.7373 5.7373 6.1240 6.1240 6.8033 6.8033 7.7417 7.7417 7.9217 7.9217 8.3956 8.3956 14.1500 14.1500 14.2074 14.2074 14.6467 14.6467 16.3650 16.3650 16.4642 16.4642 18.6715 18.6715 k = 0.0000 0.2642-0.0000 ( 2976 PWs) bands (ev): -42.4780 -42.4780 -19.1596 -19.1596 -18.5528 -18.5528 -18.3513 -18.3513 5.7476 5.7476 6.1283 6.1283 6.8841 6.8841 7.7493 7.7493 7.9362 7.9362 8.3882 8.3882 14.1119 14.1119 14.1870 14.1870 14.6245 14.6245 16.3284 16.3284 16.4575 16.4575 18.5648 18.5648 k = 0.0000 0.2736-0.0000 ( 2980 PWs) bands (ev): -42.4772 -42.4772 -19.1610 -19.1610 -18.5563 -18.5563 -18.3527 -18.3527 5.7574 5.7574 6.1316 6.1316 6.9630 6.9630 7.7576 7.7576 7.9563 7.9563 8.3819 8.3819 14.0673 14.0673 14.1719 14.1719 14.5948 14.5948 16.2923 16.2923 16.4511 16.4511 18.4629 18.4629 k = 0.0000 0.2830-0.0000 ( 2980 PWs) bands (ev): -42.4764 -42.4764 -19.1626 -19.1626 -18.5598 -18.5598 -18.3539 -18.3539 5.7667 5.7667 6.1339 6.1339 7.0385 7.0385 7.7657 7.7657 7.9839 7.9839 8.3769 8.3769 14.0207 14.0207 14.1564 14.1564 14.5577 14.5577 16.2569 16.2569 16.4448 16.4448 18.3696 18.3696 k = 0.0000 0.2925-0.0000 ( 2984 PWs) bands (ev): -42.4756 -42.4756 -19.1641 -19.1641 -18.5633 -18.5633 -18.3550 -18.3550 5.7756 5.7756 6.1353 6.1353 7.1088 7.1088 7.7730 7.7730 8.0211 8.0211 8.3734 8.3734 13.9730 13.9730 14.1381 14.1381 14.5145 14.5145 16.2224 16.2224 16.4387 16.4387 18.2869 18.2869 k = 0.0000 0.3019-0.0000 ( 2988 PWs) bands (ev): -42.4749 -42.4749 -19.1656 -19.1656 -18.5668 -18.5668 -18.3560 -18.3560 5.7841 5.7841 6.1360 6.1360 7.1727 7.1727 7.7787 7.7787 8.0690 8.0690 8.3720 8.3720 13.9240 13.9240 14.1146 14.1146 14.4674 14.4674 16.1889 16.1889 16.4327 16.4327 18.2159 18.2159 k = 0.0000 0.3113-0.0000 ( 2988 PWs) bands (ev): -42.4741 -42.4741 -19.1672 -19.1672 -18.5702 -18.5702 -18.3569 -18.3569 5.7922 5.7922 6.1360 6.1360 7.2293 7.2293 7.7827 7.7827 8.1274 8.1274 8.3741 8.3741 13.8727 13.8727 14.0837 14.0837 14.4198 14.4198 16.1564 16.1564 16.4268 16.4268 18.1567 18.1567 k = 0.0000 0.3208-0.0000 ( 2988 PWs) bands (ev): -42.4734 -42.4734 -19.1688 -19.1688 -18.5736 -18.5736 -18.3577 -18.3577 5.7999 5.7999 6.1354 6.1354 7.2781 7.2781 7.7851 7.7851 8.1927 8.1927 8.3832 8.3832 13.8169 13.8169 14.0438 14.0438 14.3758 14.3758 16.1251 16.1251 16.4211 16.4211 18.1092 18.1092 k = 0.0000 0.3302-0.0000 ( 2992 PWs) bands (ev): -42.4727 -42.4727 -19.1703 -19.1703 -18.5769 -18.5769 -18.3584 -18.3584 5.8071 5.8071 6.1342 6.1342 7.3196 7.3196 7.7860 7.7860 8.2542 8.2542 8.4093 8.4093 13.7534 13.7534 13.9954 13.9954 14.3386 14.3386 16.0949 16.0949 16.4155 16.4155 18.0730 18.0730 k = 0.0000 0.3396-0.0000 ( 2992 PWs) bands (ev): -42.4720 -42.4720 -19.1718 -19.1718 -18.5802 -18.5802 -18.3591 -18.3591 5.8140 5.8140 6.1326 6.1326 7.3546 7.3546 7.7857 7.7857 8.2941 8.2941 8.4690 8.4690 13.6778 13.6778 13.9426 13.9426 14.3093 14.3093 16.0660 16.0660 16.4101 16.4101 18.0471 18.0471 k = 0.0000 0.3491-0.0000 ( 2996 PWs) bands (ev): -42.4713 -42.4713 -19.1733 -19.1733 -18.5833 -18.5833 -18.3597 -18.3597 5.8204 5.8204 6.1306 6.1306 7.3839 7.3839 7.7846 7.7846 8.3122 8.3122 8.5610 8.5610 13.5867 13.5867 13.8908 13.8908 14.2870 14.2870 16.0384 16.0384 16.4049 16.4049 18.0305 18.0305 k = 0.0000 0.3585-0.0000 ( 2996 PWs) bands (ev): -42.4707 -42.4707 -19.1748 -19.1748 -18.5862 -18.5862 -18.3602 -18.3602 5.8265 5.8265 6.1283 6.1283 7.4085 7.4085 7.7827 7.7827 8.3204 8.3204 8.6719 8.6719 13.4788 13.4788 13.8438 13.8438 14.2701 14.2701 16.0122 16.0122 16.3999 16.3999 18.0220 18.0220 k = 0.0000 0.3679-0.0000 ( 2994 PWs) bands (ev): -42.4700 -42.4700 -19.1762 -19.1762 -18.5891 -18.5891 -18.3607 -18.3607 5.8321 5.8321 6.1257 6.1257 7.4294 7.4294 7.7803 7.7803 8.3250 8.3250 8.7944 8.7944 13.3559 13.3559 13.8025 13.8025 14.2570 14.2570 15.9875 15.9875 16.3951 16.3951 18.0206 18.0206 k = 0.0000 0.3774-0.0000 ( 2994 PWs) bands (ev): -42.4695 -42.4695 -19.1776 -19.1776 -18.5918 -18.5918 -18.3611 -18.3611 5.8374 5.8374 6.1229 6.1229 7.4473 7.4473 7.7777 7.7777 8.3280 8.3280 8.9252 8.9252 13.2207 13.2207 13.7663 13.7663 14.2466 14.2466 15.9642 15.9642 16.3906 16.3906 18.0249 18.0249 k = 0.0000 0.3868-0.0000 ( 2990 PWs) bands (ev): -42.4689 -42.4689 -19.1789 -19.1789 -18.5943 -18.5943 -18.3615 -18.3615 5.8422 5.8422 6.1201 6.1201 7.4626 7.4626 7.7748 7.7748 8.3304 8.3304 9.0624 9.0624 13.0757 13.0757 13.7345 13.7345 14.2381 14.2381 15.9425 15.9425 16.3864 16.3864 18.0338 18.0338 k = 0.0000 0.3962-0.0000 ( 2982 PWs) bands (ev): -42.4684 -42.4684 -19.1802 -19.1802 -18.5967 -18.5967 -18.3618 -18.3618 5.8466 5.8466 6.1172 6.1172 7.4758 7.4758 7.7719 7.7719 8.3324 8.3324 9.2050 9.2050 12.9231 12.9231 13.7064 13.7064 14.2312 14.2312 15.9223 15.9223 16.3824 16.3824 18.0462 18.0462 k = 0.0000 0.4057-0.0000 ( 2982 PWs) bands (ev): -42.4679 -42.4679 -19.1814 -19.1814 -18.5989 -18.5989 -18.3620 -18.3620 5.8507 5.8507 6.1144 6.1144 7.4873 7.4873 7.7689 7.7689 8.3343 8.3343 9.3522 9.3522 12.7646 12.7646 13.6814 13.6814 14.2253 14.2253 15.9037 15.9037 16.3787 16.3787 18.0610 18.0610 k = 0.0000 0.4151-0.0000 ( 2982 PWs) bands (ev): -42.4675 -42.4675 -19.1824 -19.1824 -18.6009 -18.6009 -18.3623 -18.3623 5.8543 5.8543 6.1116 6.1116 7.4973 7.4973 7.7661 7.7661 8.3360 8.3360 9.5032 9.5032 12.6016 12.6016 13.6593 13.6593 14.2203 14.2203 15.8868 15.8868 16.3753 16.3753 18.0773 18.0773 k = 0.0000 0.4245-0.0000 ( 2978 PWs) bands (ev): -42.4671 -42.4671 -19.1834 -19.1834 -18.6027 -18.6027 -18.3625 -18.3625 5.8576 5.8576 6.1090 6.1090 7.5059 7.5059 7.7635 7.7635 8.3376 8.3376 9.6576 9.6576 12.4352 12.4352 13.6397 13.6397 14.2161 14.2161 15.8716 15.8716 16.3723 16.3723 18.0941 18.0941 k = 0.0000 0.4340-0.0000 ( 2972 PWs) bands (ev): -42.4668 -42.4668 -19.1843 -19.1843 -18.6043 -18.6043 -18.3626 -18.3626 5.8604 5.8604 6.1066 6.1066 7.5132 7.5132 7.7610 7.7610 8.3391 8.3391 9.8147 9.8147 12.2666 12.2666 13.6227 13.6227 14.2126 14.2126 15.8582 15.8582 16.3696 16.3696 18.1108 18.1108 k = 0.0000 0.4434-0.0000 ( 2968 PWs) bands (ev): -42.4665 -42.4665 -19.1851 -19.1851 -18.6057 -18.6057 -18.3628 -18.3628 5.8629 5.8629 6.1044 6.1044 7.5195 7.5195 7.7589 7.7589 8.3405 8.3405 9.9740 9.9740 12.0966 12.0966 13.6081 13.6081 14.2096 14.2096 15.8464 15.8464 16.3672 16.3672 18.1266 18.1266 k = 0.0000 0.4528-0.0000 ( 2964 PWs) bands (ev): -42.4662 -42.4662 -19.1858 -19.1858 -18.6069 -18.6069 -18.3629 -18.3629 5.8650 5.8650 6.1025 6.1025 7.5247 7.5247 7.7570 7.7570 8.3417 8.3417 10.1346 10.1346 11.9264 11.9264 13.5958 13.5958 14.2072 14.2072 15.8364 15.8364 16.3652 16.3652 18.1410 18.1410 k = 0.0000 0.4623-0.0000 ( 2966 PWs) bands (ev): -42.4660 -42.4660 -19.1864 -19.1864 -18.6079 -18.6079 -18.3630 -18.3630 5.8667 5.8667 6.1008 6.1008 7.5289 7.5289 7.7554 7.7554 8.3427 8.3427 10.2955 10.2955 11.7574 11.7574 13.5858 13.5858 14.2052 14.2052 15.8283 15.8283 16.3635 16.3635 18.1535 18.1535 k = 0.0000 0.4717-0.0000 ( 2974 PWs) bands (ev): -42.4658 -42.4658 -19.1868 -19.1868 -18.6087 -18.6087 -18.3631 -18.3631 5.8680 5.8680 6.0996 6.0996 7.5321 7.5321 7.7542 7.7542 8.3435 8.3435 10.4543 10.4543 11.5920 11.5920 13.5780 13.5780 14.2037 14.2037 15.8219 15.8219 16.3622 16.3622 18.1636 18.1636 k = 0.0000 0.4811-0.0000 ( 2970 PWs) bands (ev): -42.4657 -42.4657 -19.1871 -19.1871 -18.6092 -18.6092 -18.3631 -18.3631 5.8690 5.8690 6.0986 6.0986 7.5344 7.5344 7.7533 7.7533 8.3441 8.3441 10.6061 10.6061 11.4355 11.4355 13.5725 13.5725 14.2026 14.2026 15.8173 15.8173 16.3612 16.3612 18.1710 18.1710 k = 0.0000 0.4906-0.0000 ( 2976 PWs) bands (ev): -42.4656 -42.4656 -19.1873 -19.1873 -18.6096 -18.6096 -18.3631 -18.3631 5.8695 5.8695 6.0981 6.0981 7.5357 7.5357 7.7527 7.7527 8.3445 8.3445 10.7355 10.7355 11.3033 11.3033 13.5692 13.5692 14.2020 14.2020 15.8146 15.8146 16.3607 16.3607 18.1755 18.1755 k = 0.0000 0.5000-0.0000 ( 2976 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6097 -18.6097 -18.3631 -18.3631 5.8697 5.8697 6.0979 6.0979 7.5362 7.5362 7.7526 7.7526 8.3446 8.3446 10.7951 10.7951 11.2426 11.2426 13.5681 13.5681 14.2017 14.2017 15.8137 15.8137 16.3605 16.3605 18.1771 18.1771 k = 0.0000 0.5000-0.0000 ( 2976 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6097 -18.6097 -18.3631 -18.3631 5.8697 5.8697 6.0979 6.0979 7.5362 7.5362 7.7526 7.7526 8.3446 8.3446 10.7951 10.7951 11.2426 11.2426 13.5681 13.5681 14.2017 14.2017 15.8137 15.8137 16.3605 16.3605 18.1771 18.1771 k = 0.0094 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6097 -18.6097 -18.3633 -18.3633 5.8706 5.8706 6.0977 6.0977 7.5361 7.5361 7.7517 7.7517 8.3432 8.3432 10.7982 10.7982 11.2428 11.2428 13.5702 13.5702 14.2037 14.2037 15.8133 15.8133 16.3599 16.3599 18.1770 18.1770 k = 0.0189 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4655 -42.4655 -19.1874 -19.1874 -18.6096 -18.6096 -18.3639 -18.3639 5.8735 5.8735 6.0972 6.0972 7.5357 7.5357 7.7493 7.7493 8.3391 8.3391 10.8075 10.8075 11.2434 11.2434 13.5766 13.5766 14.2094 14.2094 15.8121 15.8121 16.3582 16.3582 18.1766 18.1766 k = 0.0283 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4654 -42.4654 -19.1875 -19.1875 -18.6094 -18.6094 -18.3647 -18.3647 5.8781 5.8781 6.0964 6.0964 7.5351 7.5351 7.7452 7.7452 8.3322 8.3322 10.8229 10.8229 11.2443 11.2443 13.5872 13.5872 14.2189 14.2189 15.8102 15.8102 16.3554 16.3554 18.1759 18.1759 k = 0.0377 0.5000-0.0000 ( 2960 PWs) bands (ev): -42.4653 -42.4653 -19.1876 -19.1876 -18.6092 -18.6092 -18.3660 -18.3660 5.8845 5.8845 6.0952 6.0952 7.5343 7.5343 7.7397 7.7397 8.3226 8.3226 10.8442 10.8442 11.2456 11.2456 13.6019 13.6019 14.2323 14.2323 15.8076 15.8076 16.3514 16.3514 18.1750 18.1750 k = 0.0472 0.5000-0.0000 ( 2960 PWs) bands (ev): -42.4651 -42.4651 -19.1877 -19.1877 -18.6090 -18.6090 -18.3676 -18.3676 5.8925 5.8925 6.0937 6.0937 7.5334 7.5334 7.7328 7.7328 8.3106 8.3106 10.8713 10.8713 11.2474 11.2474 13.6207 13.6207 14.2493 14.2493 15.8042 15.8042 16.3464 16.3464 18.1738 18.1738 k = 0.0566 0.5000-0.0000 ( 2968 PWs) bands (ev): -42.4648 -42.4648 -19.1878 -19.1878 -18.6087 -18.6087 -18.3695 -18.3695 5.9020 5.9020 6.0919 6.0919 7.5325 7.5325 7.7249 7.7249 8.2962 8.2962 10.9039 10.9039 11.2497 11.2497 13.6435 13.6435 14.2700 14.2700 15.8000 15.8000 16.3402 16.3402 18.1724 18.1724 k = 0.0660 0.5000-0.0000 ( 2974 PWs) bands (ev): -42.4645 -42.4645 -19.1880 -19.1880 -18.6083 -18.6083 -18.3718 -18.3718 5.9128 5.9128 6.0898 6.0898 7.5316 7.5316 7.7160 7.7160 8.2795 8.2795 10.9417 10.9417 11.2527 11.2527 13.6702 13.6702 14.2944 14.2944 15.7952 15.7952 16.3331 16.3331 18.1706 18.1706 k = 0.0755 0.5000-0.0000 ( 2966 PWs) bands (ev): -42.4642 -42.4642 -19.1882 -19.1882 -18.6079 -18.6079 -18.3743 -18.3743 5.9247 5.9247 6.0873 6.0873 7.5308 7.5308 7.7064 7.7064 8.2609 8.2609 10.9844 10.9844 11.2564 11.2564 13.7006 13.7006 14.3223 14.3223 15.7896 15.7896 16.3250 16.3250 18.1685 18.1685 k = 0.0849 0.5000-0.0000 ( 2968 PWs) bands (ev): -42.4638 -42.4638 -19.1884 -19.1884 -18.6075 -18.6075 -18.3772 -18.3772 5.9375 5.9375 6.0845 6.0845 7.5303 7.5303 7.6964 7.6964 8.2404 8.2404 11.0315 11.0315 11.2611 11.2611 13.7346 13.7346 14.3536 14.3536 15.7834 15.7834 16.3159 16.3159 18.1661 18.1661 k = 0.0943 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4634 -42.4634 -19.1887 -19.1887 -18.6070 -18.6070 -18.3804 -18.3804 5.9509 5.9509 6.0814 6.0814 7.5303 7.5303 7.6861 7.6861 8.2184 8.2184 11.0821 11.0821 11.2676 11.2676 13.7720 13.7720 14.3883 14.3883 15.7764 15.7764 16.3059 16.3059 18.1634 18.1634 k = 0.1038 0.5000-0.0000 ( 2968 PWs) bands (ev): -42.4630 -42.4630 -19.1890 -19.1890 -18.6064 -18.6064 -18.3838 -18.3838 5.9645 5.9645 6.0780 6.0780 7.5309 7.5309 7.6759 7.6759 8.1949 8.1949 11.1346 11.1346 11.2773 11.2773 13.8127 13.8127 14.4263 14.4263 15.7688 15.7688 16.2952 16.2952 18.1603 18.1603 k = 0.1132 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4625 -42.4625 -19.1893 -19.1893 -18.6058 -18.6058 -18.3876 -18.3876 5.9781 5.9781 6.0743 6.0743 7.5323 7.5323 7.6661 7.6661 8.1703 8.1703 11.1849 11.1849 11.2939 11.2939 13.8564 13.8564 14.4674 14.4674 15.7606 15.7606 16.2836 16.2836 18.1568 18.1568 k = 0.1226 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4620 -42.4620 -19.1896 -19.1896 -18.6052 -18.6052 -18.3915 -18.3915 5.9912 5.9912 6.0704 6.0704 7.5345 7.5345 7.6570 7.6570 8.1448 8.1448 11.2244 11.2244 11.3259 11.3259 13.9030 13.9030 14.5115 14.5115 15.7517 15.7517 16.2713 16.2713 18.1528 18.1528 k = 0.1321 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4614 -42.4614 -19.1900 -19.1900 -18.6045 -18.6045 -18.3957 -18.3957 6.0035 6.0035 6.0663 6.0663 7.5375 7.5375 7.6491 7.6491 8.1185 8.1185 11.2483 11.2483 11.3780 11.3780 13.9523 13.9523 14.5584 14.5584 15.7422 15.7422 16.2583 16.2583 18.1485 18.1485 k = 0.1415 0.5000-0.0000 ( 2964 PWs) bands (ev): -42.4608 -42.4608 -19.1904 -19.1904 -18.6038 -18.6038 -18.4002 -18.4002 6.0143 6.0143 6.0622 6.0622 7.5409 7.5409 7.6432 7.6432 8.0917 8.0917 11.2630 11.2630 11.4436 11.4436 14.0041 14.0041 14.6081 14.6081 15.7321 15.7321 16.2448 16.2448 18.1437 18.1437 k = 0.1509 0.5000-0.0000 ( 2960 PWs) bands (ev): -42.4602 -42.4602 -19.1909 -19.1909 -18.6031 -18.6031 -18.4048 -18.4048 6.0231 6.0231 6.0585 6.0585 7.5438 7.5438 7.6407 7.6407 8.0647 8.0647 11.2744 11.2744 11.5166 11.5166 14.0582 14.0582 14.6603 14.6603 15.7214 15.7214 16.2307 16.2307 18.1383 18.1383 k = 0.1604 0.5000-0.0000 ( 2964 PWs) bands (ev): -42.4596 -42.4596 -19.1914 -19.1914 -18.6023 -18.6023 -18.4096 -18.4096 6.0286 6.0286 6.0560 6.0560 7.5448 7.5448 7.6430 7.6430 8.0378 8.0378 11.2849 11.2849 11.5946 11.5946 14.1144 14.1144 14.7150 14.7150 15.7101 15.7101 16.2162 16.2162 18.1325 18.1325 k = 0.1698 0.5000-0.0000 ( 2964 PWs) bands (ev): -42.4589 -42.4589 -19.1919 -19.1919 -18.6015 -18.6015 -18.4145 -18.4145 6.0298 6.0298 6.0556 6.0556 7.5430 7.5430 7.6515 7.6515 8.0111 8.0111 11.2954 11.2954 11.6765 11.6765 14.1725 14.1725 14.7718 14.7718 15.6982 15.6982 16.2012 16.2012 18.1260 18.1260 k = 0.1792 0.5000-0.0000 ( 2958 PWs) bands (ev): -42.4582 -42.4582 -19.1925 -19.1925 -18.6007 -18.6007 -18.4196 -18.4196 6.0269 6.0269 6.0567 6.0567 7.5380 7.5380 7.6665 7.6665 7.9850 7.9850 11.3065 11.3065 11.7616 11.7616 14.2322 14.2322 14.8306 14.8306 15.6857 15.6857 16.1860 16.1860 18.1190 18.1190 k = 0.1887 0.5000-0.0000 ( 2966 PWs) bands (ev): -42.4575 -42.4575 -19.1931 -19.1931 -18.5999 -18.5999 -18.4247 -18.4247 6.0216 6.0216 6.0578 6.0578 7.5304 7.5304 7.6874 7.6874 7.9599 7.9599 11.3184 11.3184 11.8497 11.8497 14.2934 14.2934 14.8913 14.8913 15.6726 15.6726 16.1705 16.1705 18.1114 18.1114 k = 0.1981 0.5000-0.0000 ( 2966 PWs) bands (ev): -42.4568 -42.4568 -19.1937 -19.1937 -18.5990 -18.5990 -18.4300 -18.4300 6.0148 6.0148 6.0576 6.0576 7.5207 7.5207 7.7132 7.7132 7.9364 7.9364 11.3313 11.3313 11.9404 11.9404 14.3559 14.3559 14.9535 14.9535 15.6590 15.6590 16.1548 16.1548 18.1032 18.1032 k = 0.2075 0.5000-0.0000 ( 2974 PWs) bands (ev): -42.4560 -42.4560 -19.1944 -19.1944 -18.5982 -18.5982 -18.4354 -18.4354 6.0070 6.0070 6.0558 6.0558 7.5094 7.5094 7.7424 7.7424 7.9155 7.9155 11.3454 11.3454 12.0335 12.0335 14.4195 14.4195 15.0171 15.0171 15.6447 15.6447 16.1390 16.1390 18.0942 18.0942 k = 0.2170 0.5000-0.0000 ( 2978 PWs) bands (ev): -42.4553 -42.4553 -19.1951 -19.1951 -18.5973 -18.5973 -18.4407 -18.4407 5.9983 5.9983 6.0524 6.0524 7.4969 7.4969 7.7723 7.7723 7.8997 7.8997 11.3609 11.3609 12.1288 12.1288 14.4838 14.4838 15.0819 15.0819 15.6297 15.6297 16.1231 16.1231 18.0846 18.0846 k = 0.2264 0.5000-0.0000 ( 2974 PWs) bands (ev): -42.4545 -42.4545 -19.1959 -19.1959 -18.5965 -18.5965 -18.4461 -18.4461 5.9887 5.9887 6.0474 6.0474 7.4832 7.4832 7.7955 7.7955 7.8961 7.8961 11.3779 11.3779 12.2261 12.2261 14.5489 14.5489 15.1475 15.1475 15.6142 15.6142 16.1072 16.1072 18.0743 18.0743 k = 0.2358 0.5000-0.0000 ( 2982 PWs) bands (ev): -42.4538 -42.4538 -19.1967 -19.1967 -18.5956 -18.5956 -18.4515 -18.4515 5.9783 5.9783 6.0411 6.0411 7.4686 7.4686 7.8018 7.8018 7.9145 7.9145 11.3966 11.3966 12.3252 12.3252 14.6143 14.6143 15.2137 15.2137 15.5979 15.5979 16.0914 16.0914 18.0632 18.0632 k = 0.2453 0.5000-0.0000 ( 2986 PWs) bands (ev): -42.4530 -42.4530 -19.1975 -19.1975 -18.5948 -18.5948 -18.4569 -18.4569 5.9669 5.9669 6.0338 6.0338 7.4532 7.4532 7.7939 7.7939 7.9519 7.9519 11.4171 11.4171 12.4260 12.4260 14.6800 14.6800 15.2801 15.2801 15.5810 15.5810 16.0756 16.0756 18.0515 18.0515 k = 0.2547 0.5000-0.0000 ( 2986 PWs) bands (ev): -42.4522 -42.4522 -19.1984 -19.1984 -18.5940 -18.5940 -18.4623 -18.4623 5.9545 5.9545 6.0257 6.0257 7.4370 7.4370 7.7809 7.7809 7.9990 7.9990 11.4395 11.4395 12.5282 12.5282 14.7457 14.7457 15.3463 15.3463 15.5636 15.5636 16.0601 16.0601 18.0390 18.0390 k = 0.2642 0.5000-0.0000 ( 2986 PWs) bands (ev): -42.4515 -42.4515 -19.1992 -19.1992 -18.5932 -18.5932 -18.4675 -18.4675 5.9411 5.9411 6.0171 6.0171 7.4201 7.4201 7.7666 7.7666 8.0512 8.0512 11.4641 11.4641 12.6316 12.6316 14.8112 14.8112 15.4118 15.4118 15.5458 15.5458 16.0448 16.0448 18.0259 18.0259 k = 0.2736 0.5000-0.0000 ( 2984 PWs) bands (ev): -42.4507 -42.4507 -19.2001 -19.2001 -18.5924 -18.5924 -18.4727 -18.4727 5.9267 5.9267 6.0083 6.0083 7.4027 7.4027 7.7525 7.7525 8.1067 8.1067 11.4909 11.4909 12.7361 12.7361 14.8763 14.8763 15.4735 15.4735 15.5302 15.5302 16.0298 16.0298 18.0121 18.0121 k = 0.2830 0.5000-0.0000 ( 2976 PWs) bands (ev): -42.4499 -42.4499 -19.2011 -19.2011 -18.5917 -18.5917 -18.4778 -18.4778 5.9115 5.9115 5.9993 5.9993 7.3849 7.3849 7.7392 7.7392 8.1645 8.1645 11.5201 11.5201 12.8415 12.8415 14.9408 14.9408 15.4965 15.4965 15.5515 15.5515 16.0151 16.0151 17.9977 17.9977 k = 0.2925 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4492 -42.4492 -19.2020 -19.2020 -18.5910 -18.5910 -18.4827 -18.4827 5.8955 5.8955 5.9904 5.9904 7.3669 7.3669 7.7267 7.7267 8.2237 8.2237 11.5519 11.5519 12.9474 12.9474 15.0045 15.0045 15.4794 15.4794 15.6106 15.6106 16.0008 16.0008 17.9828 17.9828 k = 0.3019 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4484 -42.4484 -19.2030 -19.2030 -18.5903 -18.5903 -18.4875 -18.4875 5.8790 5.8790 5.9816 5.9816 7.3487 7.3487 7.7151 7.7151 8.2839 8.2839 11.5863 11.5863 13.0537 13.0537 15.0672 15.0672 15.4580 15.4580 15.6711 15.6711 15.9870 15.9870 17.9675 17.9675 k = 0.3113 0.5000-0.0000 ( 2972 PWs) bands (ev): -42.4477 -42.4477 -19.2040 -19.2040 -18.5897 -18.5897 -18.4922 -18.4922 5.8620 5.8620 5.9730 5.9730 7.3307 7.3307 7.7044 7.7044 8.3444 8.3444 11.6236 11.6236 13.1601 13.1601 15.1286 15.1286 15.4351 15.4351 15.7299 15.7299 15.9737 15.9737 17.9519 17.9519 k = 0.3208 0.5000-0.0000 ( 2976 PWs) bands (ev): -42.4470 -42.4470 -19.2049 -19.2049 -18.5891 -18.5891 -18.4966 -18.4966 5.8449 5.8449 5.9646 5.9646 7.3128 7.3128 7.6947 7.6947 8.4047 8.4047 11.6636 11.6636 13.2662 13.2662 15.1884 15.1884 15.4112 15.4112 15.7860 15.7860 15.9611 15.9611 17.9361 17.9361 k = 0.3302 0.5000-0.0000 ( 2976 PWs) bands (ev): -42.4463 -42.4463 -19.2059 -19.2059 -18.5886 -18.5886 -18.5009 -18.5009 5.8276 5.8276 5.9565 5.9565 7.2953 7.2953 7.6857 7.6857 8.4644 8.4644 11.7066 11.7066 13.3716 13.3716 15.2465 15.2465 15.3866 15.3866 15.8386 15.8386 15.9494 15.9494 17.9204 17.9204 k = 0.3396 0.5000-0.0000 ( 2988 PWs) bands (ev): -42.4457 -42.4457 -19.2069 -19.2069 -18.5882 -18.5882 -18.5049 -18.5049 5.8105 5.8105 5.9486 5.9486 7.2783 7.2783 7.6775 7.6775 8.5229 8.5229 11.7524 11.7524 13.4760 13.4760 15.3015 15.3015 15.3623 15.3623 15.8857 15.8857 15.9401 15.9401 17.9049 17.9049 k = 0.3491 0.5000-0.0000 ( 2988 PWs) bands (ev): -42.4450 -42.4450 -19.2079 -19.2079 -18.5878 -18.5878 -18.5087 -18.5087 5.7937 5.7937 5.9409 5.9409 7.2618 7.2618 7.6700 7.6700 8.5799 8.5799 11.8011 11.8011 13.5788 13.5788 15.3280 15.3280 15.3637 15.3637 15.9134 15.9134 15.9468 15.9468 17.8898 17.8898 k = 0.3585 0.5000-0.0000 ( 2988 PWs) bands (ev): -42.4444 -42.4444 -19.2088 -19.2088 -18.5875 -18.5875 -18.5123 -18.5123 5.7772 5.7772 5.9336 5.9336 7.2459 7.2459 7.6632 7.6632 8.6349 8.6349 11.8526 11.8526 13.6794 13.6794 15.3049 15.3049 15.4124 15.4124 15.9097 15.9097 15.9809 15.9809 17.8754 17.8754 k = 0.3679 0.5000-0.0000 ( 2988 PWs) bands (ev): -42.4438 -42.4438 -19.2097 -19.2097 -18.5872 -18.5872 -18.5157 -18.5157 5.7614 5.7614 5.9266 5.9266 7.2309 7.2309 7.6570 7.6570 8.6876 8.6876 11.9065 11.9065 13.7771 13.7771 15.2789 15.2789 15.4615 15.4615 15.9011 15.9011 16.0155 16.0155 17.8619 17.8619 k = 0.3774 0.5000-0.0000 ( 2992 PWs) bands (ev): -42.4433 -42.4433 -19.2106 -19.2106 -18.5870 -18.5870 -18.5187 -18.5187 5.7461 5.7461 5.9199 5.9199 7.2166 7.2166 7.6513 7.6513 8.7376 8.7376 11.9626 11.9626 13.8710 13.8710 15.2534 15.2534 15.5082 15.5082 15.8924 15.8924 16.0454 16.0454 17.8494 17.8494 k = 0.3868 0.5000-0.0000 ( 2992 PWs) bands (ev): -42.4427 -42.4427 -19.2115 -19.2115 -18.5869 -18.5869 -18.5215 -18.5215 5.7317 5.7317 5.9136 5.9136 7.2032 7.2032 7.6461 7.6461 8.7848 8.7848 12.0206 12.0206 13.9598 13.9598 15.2295 15.2295 15.5522 15.5522 15.8842 15.8842 16.0698 16.0698 17.8383 17.8383 k = 0.3962 0.5000-0.0000 ( 2996 PWs) bands (ev): -42.4422 -42.4422 -19.2123 -19.2123 -18.5869 -18.5869 -18.5241 -18.5241 5.7181 5.7181 5.9077 5.9077 7.1907 7.1907 7.6415 7.6415 8.8287 8.8287 12.0799 12.0799 14.0425 14.0425 15.2083 15.2083 15.5930 15.5930 15.8767 15.8767 16.0882 16.0882 17.8285 17.8285 k = 0.4057 0.5000-0.0000 ( 3000 PWs) bands (ev): -42.4418 -42.4418 -19.2131 -19.2131 -18.5869 -18.5869 -18.5264 -18.5264 5.7054 5.7054 5.9022 5.9022 7.1792 7.1792 7.6373 7.6373 8.8693 8.8693 12.1399 12.1399 14.1173 14.1173 15.1913 15.1913 15.6304 15.6304 15.8700 15.8700 16.1006 16.1006 17.8203 17.8203 k = 0.4151 0.5000-0.0000 ( 3004 PWs) bands (ev): -42.4414 -42.4414 -19.2138 -19.2138 -18.5869 -18.5869 -18.5284 -18.5284 5.6938 5.6938 5.8971 5.8971 7.1687 7.1687 7.6335 7.6335 8.9064 8.9064 12.1997 12.1997 14.1827 14.1827 15.1801 15.1801 15.6641 15.6641 15.8642 15.8642 16.1070 16.1070 17.8136 17.8136 k = 0.4245 0.5000-0.0000 ( 3008 PWs) bands (ev): -42.4410 -42.4410 -19.2144 -19.2144 -18.5870 -18.5870 -18.5302 -18.5302 5.6832 5.6832 5.8925 5.8925 7.1593 7.1593 7.6302 7.6302 8.9397 8.9397 12.2585 12.2585 14.2370 14.2370 15.1759 15.1759 15.6939 15.6939 15.8596 15.8596 16.1077 16.1077 17.8083 17.8083 k = 0.4340 0.5000-0.0000 ( 3008 PWs) bands (ev): -42.4407 -42.4407 -19.2150 -19.2150 -18.5871 -18.5871 -18.5318 -18.5318 5.6737 5.6737 5.8884 5.8884 7.1509 7.1509 7.6274 7.6274 8.9693 8.9693 12.3152 12.3152 14.2794 14.2794 15.1798 15.1798 15.7194 15.7194 15.8560 15.8560 16.1033 16.1033 17.8043 17.8043 k = 0.4434 0.5000-0.0000 ( 3012 PWs) bands (ev): -42.4404 -42.4404 -19.2155 -19.2155 -18.5873 -18.5873 -18.5331 -18.5331 5.6654 5.6654 5.8848 5.8848 7.1436 7.1436 7.6249 7.6249 8.9950 8.9950 12.3685 12.3685 14.3096 14.3096 15.1918 15.1918 15.7403 15.7403 15.8537 15.8537 16.0947 16.0947 17.8015 17.8015 k = 0.4528 0.5000-0.0000 ( 3016 PWs) bands (ev): -42.4401 -42.4401 -19.2160 -19.2160 -18.5874 -18.5874 -18.5342 -18.5342 5.6584 5.6584 5.8817 5.8817 7.1374 7.1374 7.6228 7.6228 9.0168 9.0168 12.4172 12.4172 14.3288 14.3288 15.2106 15.2106 15.7566 15.7566 15.8526 15.8526 16.0831 16.0831 17.7996 17.7996 k = 0.4623 0.5000-0.0000 ( 3012 PWs) bands (ev): -42.4399 -42.4399 -19.2164 -19.2164 -18.5876 -18.5876 -18.5350 -18.5350 5.6525 5.6525 5.8791 5.8791 7.1323 7.1323 7.6211 7.6211 9.0347 9.0347 12.4597 12.4597 14.3392 14.3392 15.2334 15.2334 15.7685 15.7685 15.8523 15.8523 16.0701 16.0701 17.7984 17.7984 k = 0.4717 0.5000-0.0000 ( 3012 PWs) bands (ev): -42.4398 -42.4398 -19.2166 -19.2166 -18.5877 -18.5877 -18.5357 -18.5357 5.6480 5.6480 5.8771 5.8771 7.1283 7.1283 7.6198 7.6198 9.0486 9.0486 12.4946 12.4946 14.3433 14.3433 15.2570 15.2570 15.7764 15.7764 15.8525 15.8525 16.0575 16.0575 17.7977 17.7977 k = 0.4811 0.5000-0.0000 ( 3012 PWs) bands (ev): -42.4397 -42.4397 -19.2169 -19.2169 -18.5878 -18.5878 -18.5362 -18.5362 5.6447 5.6447 5.8757 5.8757 7.1255 7.1255 7.6188 7.6188 9.0586 9.0586 12.5207 12.5207 14.3440 14.3440 15.2775 15.2775 15.7812 15.7812 15.8526 15.8526 16.0470 16.0470 17.7973 17.7973 k = 0.4906 0.5000-0.0000 ( 3020 PWs) bands (ev): -42.4396 -42.4396 -19.2170 -19.2170 -18.5878 -18.5878 -18.5365 -18.5365 5.6427 5.6427 5.8748 5.8748 7.1238 7.1238 7.6183 7.6183 9.0645 9.0645 12.5368 12.5368 14.3434 14.3434 15.2915 15.2915 15.7837 15.7837 15.8525 15.8525 16.0400 16.0400 17.7971 17.7971 k = 0.5000 0.5000-0.0000 ( 3024 PWs) bands (ev): -42.4396 -42.4396 -19.2170 -19.2170 -18.5879 -18.5879 -18.5366 -18.5366 5.6421 5.6421 5.8746 5.8746 7.1232 7.1232 7.6181 7.6181 9.0665 9.0665 12.5423 12.5423 14.3431 14.3431 15.2964 15.2964 15.7845 15.7845 15.8524 15.8524 16.0376 16.0376 17.7971 17.7971 k = 0.5000 0.5000-0.0000 ( 3024 PWs) bands (ev): -42.4396 -42.4396 -19.2170 -19.2170 -18.5879 -18.5879 -18.5366 -18.5366 5.6421 5.6421 5.8746 5.8746 7.1232 7.1232 7.6181 7.6181 9.0665 9.0665 12.5423 12.5423 14.3431 14.3431 15.2964 15.2964 15.7845 15.7845 15.8524 15.8524 16.0376 16.0376 17.7971 17.7971 k = 0.4932 0.4932-0.0000 ( 3022 PWs) bands (ev): -42.4396 -42.4396 -19.2170 -19.2170 -18.5878 -18.5878 -18.5365 -18.5365 5.6427 5.6427 5.8749 5.8749 7.1238 7.1238 7.6183 7.6183 9.0645 9.0645 12.5367 12.5367 14.3435 14.3435 15.2913 15.2913 15.7837 15.7837 15.8525 15.8525 16.0401 16.0401 17.7971 17.7971 k = 0.4865 0.4865-0.0000 ( 3010 PWs) bands (ev): -42.4397 -42.4397 -19.2169 -19.2169 -18.5878 -18.5878 -18.5362 -18.5362 5.6447 5.6447 5.8757 5.8757 7.1255 7.1255 7.6189 7.6189 9.0584 9.0584 12.5198 12.5198 14.3446 14.3446 15.2769 15.2769 15.7811 15.7811 15.8526 15.8526 16.0472 16.0472 17.7973 17.7973 k = 0.4797 0.4797-0.0000 ( 3006 PWs) bands (ev): -42.4398 -42.4398 -19.2166 -19.2166 -18.5877 -18.5877 -18.5357 -18.5357 5.6481 5.6481 5.8772 5.8772 7.1285 7.1285 7.6198 7.6198 9.0483 9.0483 12.4916 12.4916 14.3464 14.3464 15.2552 15.2552 15.7763 15.7763 15.8524 15.8524 16.0581 16.0581 17.7976 17.7976 k = 0.4730 0.4730-0.0000 ( 3006 PWs) bands (ev): -42.4399 -42.4399 -19.2163 -19.2163 -18.5875 -18.5875 -18.5350 -18.5350 5.6528 5.6528 5.8793 5.8793 7.1325 7.1325 7.6211 7.6211 9.0342 9.0342 12.4522 12.4522 14.3484 14.3484 15.2294 15.2294 15.7686 15.7686 15.8520 15.8520 16.0714 16.0714 17.7981 17.7981 k = 0.4662 0.4662-0.0000 ( 3006 PWs) bands (ev): -42.4402 -42.4402 -19.2159 -19.2159 -18.5873 -18.5873 -18.5342 -18.5342 5.6588 5.6588 5.8819 5.8819 7.1377 7.1377 7.6228 7.6228 9.0164 9.0164 12.4016 12.4016 14.3505 14.3505 15.2022 15.2022 15.7575 15.7575 15.8516 15.8516 16.0855 16.0855 17.7990 17.7990 k = 0.4595 0.4595-0.0000 ( 3002 PWs) bands (ev): -42.4404 -42.4404 -19.2155 -19.2155 -18.5871 -18.5871 -18.5331 -18.5331 5.6660 5.6660 5.8851 5.8851 7.1441 7.1441 7.6248 7.6248 8.9949 8.9949 12.3399 12.3399 14.3523 14.3523 15.1763 15.1763 15.7425 15.7425 15.8516 15.8516 16.0991 16.0991 17.8004 17.8004 k = 0.4527 0.4527-0.0000 ( 3006 PWs) bands (ev): -42.4407 -42.4407 -19.2149 -19.2149 -18.5868 -18.5868 -18.5319 -18.5319 5.6745 5.6745 5.8888 5.8888 7.1516 7.1516 7.6272 7.6272 8.9699 8.9699 12.2673 12.2673 14.3536 14.3536 15.1538 15.1538 15.7236 15.7236 15.8522 15.8522 16.1109 16.1109 17.8026 17.8026 k = 0.4459 0.4459-0.0000 ( 3006 PWs) bands (ev): -42.4411 -42.4411 -19.2143 -19.2143 -18.5865 -18.5865 -18.5305 -18.5305 5.6842 5.6842 5.8931 5.8931 7.1602 7.1602 7.6298 7.6298 8.9417 8.9417 12.1843 12.1843 14.3545 14.3545 15.1359 15.1359 15.7010 15.7010 15.8537 15.8537 16.1201 16.1201 17.8059 17.8059 k = 0.4392 0.4392-0.0000 ( 3002 PWs) bands (ev): -42.4415 -42.4415 -19.2136 -19.2136 -18.5862 -18.5862 -18.5289 -18.5289 5.6951 5.6951 5.8979 5.8979 7.1699 7.1699 7.6328 7.6328 8.9104 8.9104 12.0912 12.0912 14.3550 14.3550 15.1233 15.1233 15.6749 15.6749 15.8559 15.8559 16.1263 16.1263 17.8106 17.8106 k = 0.4324 0.4324-0.0000 ( 2998 PWs) bands (ev): -42.4419 -42.4419 -19.2128 -19.2128 -18.5858 -18.5858 -18.5271 -18.5271 5.7070 5.7070 5.9032 5.9032 7.1808 7.1808 7.6360 7.6360 8.8762 8.8762 11.9888 11.9888 14.3553 14.3553 15.1160 15.1160 15.6458 15.6458 15.8588 15.8588 16.1293 16.1293 17.8172 17.8172 k = 0.4257 0.4257-0.0000 ( 2998 PWs) bands (ev): -42.4424 -42.4424 -19.2119 -19.2119 -18.5853 -18.5853 -18.5252 -18.5252 5.7200 5.7200 5.9090 5.9090 7.1926 7.1926 7.6394 7.6394 8.8394 8.8394 11.8779 11.8779 14.3560 14.3560 15.1136 15.1136 15.6141 15.6141 15.8624 15.8624 16.1289 16.1289 17.8262 17.8262 k = 0.4189 0.4189-0.0000 ( 2994 PWs) bands (ev): -42.4429 -42.4429 -19.2109 -19.2109 -18.5848 -18.5848 -18.5231 -18.5231 5.7339 5.7339 5.9152 5.9152 7.2055 7.2055 7.6430 7.6430 8.8002 8.8002 11.7591 11.7591 14.3574 14.3574 15.1153 15.1153 15.5800 15.5800 15.8667 15.8667 16.1253 16.1253 17.8379 17.8379 k = 0.4122 0.4122-0.0000 ( 2994 PWs) bands (ev): -42.4435 -42.4435 -19.2099 -19.2099 -18.5843 -18.5843 -18.5208 -18.5208 5.7488 5.7488 5.9219 5.9219 7.2194 7.2194 7.6468 7.6468 8.7590 8.7590 11.6335 11.6335 14.3600 14.3600 15.1200 15.1200 15.5442 15.5442 15.8714 15.8714 16.1185 16.1185 17.8528 17.8528 k = 0.4054 0.4054-0.0000 ( 2998 PWs) bands (ev): -42.4441 -42.4441 -19.2088 -19.2088 -18.5837 -18.5837 -18.5183 -18.5183 5.7644 5.7644 5.9289 5.9289 7.2343 7.2343 7.6508 7.6508 8.7159 8.7159 11.5019 11.5019 14.3641 14.3641 15.1266 15.1266 15.5069 15.5069 15.8767 15.8767 16.1087 16.1087 17.8716 17.8716 k = 0.3986 0.3986-0.0000 ( 3002 PWs) bands (ev): -42.4447 -42.4447 -19.2077 -19.2077 -18.5830 -18.5830 -18.5157 -18.5157 5.7808 5.7808 5.9364 5.9364 7.2501 7.2501 7.6549 7.6549 8.6711 8.6711 11.3652 11.3652 14.3701 14.3701 15.1340 15.1340 15.4688 15.4688 15.8825 15.8825 16.0961 16.0961 17.8945 17.8945 k = 0.3919 0.3919-0.0000 ( 2998 PWs) bands (ev): -42.4454 -42.4454 -19.2065 -19.2065 -18.5824 -18.5824 -18.5129 -18.5129 5.7978 5.7978 5.9442 5.9442 7.2668 7.2668 7.6591 7.6591 8.6251 8.6251 11.2242 11.2242 14.3781 14.3781 15.1407 15.1407 15.4304 15.4304 15.8888 15.8888 16.0810 16.0810 17.9221 17.9221 k = 0.3851 0.3851-0.0000 ( 2986 PWs) bands (ev): -42.4461 -42.4461 -19.2052 -19.2052 -18.5816 -18.5816 -18.5099 -18.5099 5.8153 5.8153 5.9523 5.9523 7.2844 7.2844 7.6633 7.6633 8.5779 8.5779 11.0797 11.0797 14.3884 14.3884 15.1456 15.1456 15.3924 15.3924 15.8954 15.8954 16.0636 16.0636 17.9547 17.9547 k = 0.3784 0.3784-0.0000 ( 2988 PWs) bands (ev): -42.4469 -42.4469 -19.2038 -19.2038 -18.5808 -18.5808 -18.5068 -18.5068 5.8332 5.8332 5.9608 5.9608 7.3027 7.3027 7.6675 7.6675 8.5298 8.5298 10.9325 10.9325 14.4009 14.4009 15.1470 15.1470 15.3561 15.3561 15.9025 15.9025 16.0442 16.0442 17.9926 17.9926 k = 0.3716 0.3716-0.0000 ( 2978 PWs) bands (ev): -42.4476 -42.4476 -19.2025 -19.2025 -18.5800 -18.5800 -18.5035 -18.5035 5.8513 5.8513 5.9696 5.9696 7.3218 7.3218 7.6718 7.6718 8.4812 8.4812 10.7834 10.7834 14.4156 14.4156 15.1432 15.1432 15.3227 15.3227 15.9098 15.9098 16.0230 16.0230 18.0361 18.0361 k = 0.3649 0.3649-0.0000 ( 2978 PWs) bands (ev): -42.4485 -42.4485 -19.2010 -19.2010 -18.5791 -18.5791 -18.5001 -18.5001 5.8696 5.8696 5.9786 5.9786 7.3416 7.3416 7.6759 7.6759 8.4321 8.4321 10.6328 10.6328 14.4326 14.4326 15.1324 15.1324 15.2940 15.2940 15.9171 15.9171 16.0006 16.0006 18.0853 18.0853 k = 0.3581 0.3581-0.0000 ( 2978 PWs) bands (ev): -42.4493 -42.4493 -19.1995 -19.1995 -18.5781 -18.5781 -18.4966 -18.4966 5.8878 5.8878 5.9879 5.9879 7.3619 7.3619 7.6800 7.6800 8.3830 8.3830 10.4815 10.4815 14.4515 14.4515 15.1134 15.1134 15.2709 15.2709 15.9237 15.9237 15.9780 15.9780 18.1403 18.1403 k = 0.3514 0.3514-0.0000 ( 2982 PWs) bands (ev): -42.4502 -42.4502 -19.1980 -19.1980 -18.5771 -18.5771 -18.4929 -18.4929 5.9057 5.9057 5.9975 5.9975 7.3826 7.3826 7.6840 7.6840 8.3338 8.3338 10.3300 10.3300 14.4725 14.4725 15.0870 15.0870 15.2527 15.2527 15.9260 15.9260 15.9591 15.9591 18.2011 18.2011 k = 0.3446 0.3446-0.0000 ( 2980 PWs) bands (ev): -42.4511 -42.4511 -19.1965 -19.1965 -18.5760 -18.5760 -18.4891 -18.4891 5.9232 5.9232 6.0073 6.0073 7.4038 7.4038 7.6879 7.6879 8.2851 8.2851 10.1788 10.1788 14.4951 14.4951 15.0553 15.0553 15.2374 15.2374 15.9131 15.9131 15.9549 15.9549 18.2675 18.2675 k = 0.3378 0.3378-0.0000 ( 2992 PWs) bands (ev): -42.4521 -42.4521 -19.1949 -19.1949 -18.5749 -18.5749 -18.4852 -18.4852 5.9401 5.9401 6.0175 6.0175 7.4250 7.4250 7.6916 7.6916 8.2368 8.2368 10.0284 10.0284 14.5192 14.5192 15.0205 15.0205 15.2230 15.2230 15.8895 15.8895 15.9612 15.9612 18.3395 18.3395 k = 0.3311 0.3311-0.0000 ( 2992 PWs) bands (ev): -42.4530 -42.4530 -19.1932 -19.1932 -18.5737 -18.5737 -18.4811 -18.4811 5.9561 5.9561 6.0280 6.0280 7.4463 7.4463 7.6950 7.6950 8.1894 8.1894 9.8793 9.8793 14.5445 14.5445 14.9843 14.9843 15.2081 15.2081 15.8634 15.8634 15.9703 15.9703 18.4167 18.4167 k = 0.3243 0.3243-0.0000 ( 2984 PWs) bands (ev): -42.4540 -42.4540 -19.1916 -19.1916 -18.5725 -18.5725 -18.4770 -18.4770 5.9711 5.9711 6.0387 6.0387 7.4672 7.4672 7.6983 7.6983 8.1431 8.1431 9.7320 9.7320 14.5705 14.5705 14.9480 14.9480 15.1920 15.1920 15.8369 15.8369 15.9805 15.9805 18.4988 18.4988 k = 0.3176 0.3176-0.0000 ( 2990 PWs) bands (ev): -42.4550 -42.4550 -19.1899 -19.1899 -18.5712 -18.5712 -18.4727 -18.4727 5.9849 5.9849 6.0498 6.0498 7.4875 7.4875 7.7012 7.7012 8.0981 8.0981 9.5870 9.5870 14.5967 14.5967 14.9126 14.9126 15.1741 15.1741 15.8106 15.8106 15.9913 15.9913 18.5856 18.5856 k = 0.3108 0.3108-0.0000 ( 2982 PWs) bands (ev): -42.4560 -42.4560 -19.1882 -19.1882 -18.5699 -18.5699 -18.4684 -18.4684 5.9973 5.9973 6.0610 6.0610 7.5067 7.5067 7.7039 7.7039 8.0550 8.0550 9.4448 9.4448 14.6223 14.6223 14.8789 14.8789 15.1545 15.1545 15.7853 15.7853 16.0027 16.0027 18.6765 18.6765 k = 0.3041 0.3041-0.0000 ( 2982 PWs) bands (ev): -42.4571 -42.4571 -19.1865 -19.1865 -18.5685 -18.5685 -18.4639 -18.4639 6.0084 6.0084 6.0721 6.0721 7.5240 7.5240 7.7062 7.7062 8.0142 8.0142 9.3060 9.3060 14.6459 14.6459 14.8483 14.8483 15.1331 15.1331 15.7616 15.7616 16.0146 16.0146 18.7712 18.7712 k = 0.2973 0.2973-0.0000 ( 2980 PWs) bands (ev): -42.4582 -42.4582 -19.1848 -19.1848 -18.5670 -18.5670 -18.4594 -18.4594 6.0181 6.0181 6.0830 6.0830 7.5385 7.5385 7.7082 7.7082 7.9765 7.9765 9.1712 9.1712 14.6654 14.6654 14.8226 14.8226 15.1099 15.1099 15.7400 15.7400 16.0269 16.0269 18.8690 18.8690 k = 0.2905 0.2905-0.0000 ( 2984 PWs) bands (ev): -42.4592 -42.4592 -19.1830 -19.1830 -18.5655 -18.5655 -18.4548 -18.4548 6.0266 6.0266 6.0934 6.0934 7.5486 7.5486 7.7099 7.7099 7.9426 7.9426 9.0412 9.0412 14.6767 14.6767 14.8054 14.8054 15.0852 15.0852 15.7213 15.7213 16.0397 16.0397 18.9695 18.9695 k = 0.2838 0.2838-0.0000 ( 2980 PWs) bands (ev): -42.4603 -42.4603 -19.1813 -19.1813 -18.5639 -18.5639 -18.4502 -18.4502 6.0338 6.0338 6.1031 6.1031 7.5525 7.5525 7.7117 7.7117 7.9139 7.9139 8.9167 8.9167 14.6760 14.6760 14.8002 14.8002 15.0591 15.0591 15.7062 15.7062 16.0528 16.0528 19.0719 19.0719 k = 0.2770 0.2770-0.0000 ( 2980 PWs) bands (ev): -42.4614 -42.4614 -19.1796 -19.1796 -18.5623 -18.5623 -18.4454 -18.4454 6.0399 6.0399 6.1117 6.1117 7.5479 7.5479 7.7138 7.7138 7.8914 7.8914 8.7989 8.7989 14.6643 14.6643 14.8053 14.8053 15.0318 15.0318 15.6956 15.6956 16.0663 16.0663 19.1756 19.1756 k = 0.2703 0.2703-0.0000 ( 2979 PWs) bands (ev): -42.4626 -42.4626 -19.1779 -19.1779 -18.5606 -18.5606 -18.4407 -18.4407 6.0448 6.0448 6.1192 6.1192 7.5330 7.5330 7.7164 7.7164 7.8757 7.8757 8.6889 8.6889 14.6468 14.6468 14.8149 14.8149 15.0035 15.0035 15.6902 15.6902 16.0802 16.0802 19.2793 19.2793 k = 0.2635 0.2635-0.0000 ( 2975 PWs) bands (ev): -42.4637 -42.4637 -19.1761 -19.1761 -18.5589 -18.5589 -18.4358 -18.4358 6.0484 6.0484 6.1254 6.1254 7.5068 7.5068 7.7196 7.7196 7.8666 7.8666 8.5881 8.5881 14.6275 14.6275 14.8245 14.8245 14.9743 14.9743 15.6908 15.6908 16.0944 16.0944 19.3819 19.3819 k = 0.2568 0.2568-0.0000 ( 2983 PWs) bands (ev): -42.4648 -42.4648 -19.1744 -19.1744 -18.5571 -18.5571 -18.4310 -18.4310 6.0509 6.0509 6.1302 6.1302 7.4699 7.4699 7.7231 7.7231 7.8625 7.8625 8.4981 8.4981 14.6086 14.6086 14.8315 14.8315 14.9445 14.9445 15.6978 15.6978 16.1089 16.1089 19.4813 19.4813 k = 0.2500 0.2500-0.0000 ( 2971 PWs) bands (ev): -42.4659 -42.4659 -19.1727 -19.1727 -18.5553 -18.5553 -18.4261 -18.4261 6.0520 6.0520 6.1336 6.1336 7.4230 7.4230 7.7264 7.7264 7.8616 7.8616 8.4203 8.4203 14.5910 14.5910 14.8347 14.8347 14.9142 14.9142 15.7117 15.7117 16.1238 16.1238 19.5748 19.5748 k = 0.2432 0.2432-0.0000 ( 2977 PWs) bands (ev): -42.4671 -42.4671 -19.1711 -19.1711 -18.5535 -18.5535 -18.4212 -18.4212 6.0518 6.0518 6.1356 6.1356 7.3673 7.3673 7.7295 7.7295 7.8616 7.8616 8.3561 8.3561 14.5753 14.5753 14.8336 14.8336 14.8838 14.8838 15.7323 15.7323 16.1389 16.1389 19.6581 19.6581 k = 0.2365 0.2365-0.0000 ( 2973 PWs) bands (ev): -42.4682 -42.4682 -19.1694 -19.1694 -18.5516 -18.5516 -18.4163 -18.4163 6.0501 6.0501 6.1361 6.1361 7.3038 7.3038 7.7322 7.7322 7.8607 7.8607 8.3064 8.3064 14.5618 14.5618 14.8278 14.8278 14.8536 14.8536 15.7595 15.7595 16.1542 16.1542 19.7252 19.7252 k = 0.2297 0.2297-0.0000 ( 2973 PWs) bands (ev): -42.4693 -42.4693 -19.1678 -19.1678 -18.5497 -18.5497 -18.4114 -18.4114 6.0469 6.0469 6.1353 6.1353 7.2336 7.2336 7.7347 7.7347 7.8579 7.8579 8.2711 8.2711 14.5508 14.5508 14.8153 14.8153 14.8262 14.8262 15.7926 15.7926 16.1698 16.1698 19.7681 19.7681 k = 0.2230 0.2230-0.0000 ( 2971 PWs) bands (ev): -42.4704 -42.4704 -19.1662 -19.1662 -18.5478 -18.5478 -18.4065 -18.4065 6.0421 6.0421 6.1332 6.1332 7.1580 7.1580 7.7370 7.7370 7.8527 7.8527 8.2494 8.2494 14.5422 14.5422 14.7894 14.7894 14.8090 14.8090 15.8310 15.8310 16.1856 16.1856 19.7795 19.7795 k = 0.2162 0.2162-0.0000 ( 2967 PWs) bands (ev): -42.4715 -42.4715 -19.1646 -19.1646 -18.5458 -18.5458 -18.4016 -18.4016 6.0356 6.0356 6.1298 6.1298 7.0783 7.0783 7.7391 7.7391 7.8457 7.8457 8.2393 8.2393 14.5363 14.5363 14.7599 14.7599 14.7931 14.7931 15.8741 15.8741 16.2015 16.2015 19.7563 19.7563 k = 0.2095 0.2095-0.0000 ( 2967 PWs) bands (ev): -42.4726 -42.4726 -19.1631 -19.1631 -18.5438 -18.5438 -18.3968 -18.3968 6.0275 6.0275 6.1253 6.1253 6.9960 6.9960 7.7411 7.7411 7.8377 7.8377 8.2384 8.2384 14.5328 14.5328 14.7305 14.7305 14.7753 14.7753 15.9210 15.9210 16.2176 16.2176 19.7021 19.7021 k = 0.2027 0.2027-0.0000 ( 2963 PWs) bands (ev): -42.4737 -42.4737 -19.1616 -19.1616 -18.5418 -18.5418 -18.3920 -18.3920 6.0177 6.0177 6.1194 6.1194 6.9124 6.9124 7.7431 7.7431 7.8298 7.8298 8.2444 8.2444 14.5316 14.5316 14.7020 14.7020 14.7561 14.7561 15.9712 15.9712 16.2338 16.2338 19.6244 19.6244 k = 0.1959 0.1959-0.0000 ( 2965 PWs) bands (ev): -42.4748 -42.4748 -19.1601 -19.1601 -18.5398 -18.5398 -18.3872 -18.3872 6.0063 6.0063 6.1122 6.1122 6.8286 6.8286 7.7450 7.7450 7.8227 7.8227 8.2554 8.2554 14.5323 14.5323 14.6749 14.6749 14.7359 14.7359 16.0238 16.0238 16.2500 16.2500 19.5305 19.5305 k = 0.1892 0.1892-0.0000 ( 2969 PWs) bands (ev): -42.4759 -42.4759 -19.1587 -19.1587 -18.5378 -18.5378 -18.3825 -18.3825 5.9933 5.9933 6.1035 6.1035 6.7460 6.7460 7.7469 7.7469 7.8168 7.8168 8.2699 8.2699 14.5338 14.5338 14.6503 14.6503 14.7154 14.7154 16.0785 16.0785 16.2663 16.2663 19.4260 19.4260 k = 0.1824 0.1824-0.0000 ( 2973 PWs) bands (ev): -42.4769 -42.4769 -19.1573 -19.1573 -18.5358 -18.5358 -18.3779 -18.3779 5.9789 5.9789 6.0930 6.0930 6.6654 6.6654 7.7488 7.7488 7.8123 7.8123 8.2869 8.2869 14.5339 14.5339 14.6300 14.6300 14.6951 14.6951 16.1346 16.1346 16.2826 16.2826 19.3146 19.3146 k = 0.1757 0.1757-0.0000 ( 2973 PWs) bands (ev): -42.4780 -42.4780 -19.1560 -19.1560 -18.5338 -18.5338 -18.3733 -18.3733 5.9630 5.9630 6.0803 6.0803 6.5882 6.5882 7.7507 7.7507 7.8093 7.8093 8.3054 8.3054 14.5290 14.5290 14.6168 14.6168 14.6765 14.6765 16.1916 16.1916 16.2989 16.2989 19.1986 19.1986 k = 0.1689 0.1689-0.0000 ( 2977 PWs) bands (ev): -42.4790 -42.4790 -19.1547 -19.1547 -18.5318 -18.5318 -18.3688 -18.3688 5.9458 5.9458 6.0649 6.0649 6.5154 6.5154 7.7526 7.7526 7.8077 7.8077 8.3249 8.3249 14.5167 14.5167 14.6100 14.6100 14.6629 14.6629 16.2492 16.2492 16.3152 16.3152 19.0798 19.0798 k = 0.1622 0.1622-0.0000 ( 2981 PWs) bands (ev): -42.4799 -42.4799 -19.1534 -19.1534 -18.5298 -18.5298 -18.3644 -18.3644 5.9270 5.9270 6.0463 6.0463 6.4483 6.4483 7.7543 7.7543 7.8075 7.8075 8.3450 8.3450 14.4985 14.4985 14.6020 14.6020 14.6608 14.6608 16.3066 16.3066 16.3316 16.3316 18.9591 18.9591 k = 0.1554 0.1554-0.0000 ( 2981 PWs) bands (ev): -42.4809 -42.4809 -19.1522 -19.1522 -18.5278 -18.5278 -18.3601 -18.3601 5.9064 5.9064 6.0239 6.0239 6.3882 6.3882 7.7560 7.7560 7.8084 7.8084 8.3654 8.3654 14.4773 14.4773 14.5878 14.5878 14.6724 14.6724 16.3461 16.3461 16.3654 16.3654 18.8372 18.8372 k = 0.1486 0.1486-0.0000 ( 2973 PWs) bands (ev): -42.4818 -42.4818 -19.1510 -19.1510 -18.5259 -18.5259 -18.3559 -18.3559 5.8835 5.8835 5.9977 5.9977 6.3361 6.3361 7.7577 7.7577 7.8105 7.8105 8.3857 8.3857 14.4550 14.4550 14.5702 14.5702 14.6932 14.6932 16.3624 16.3624 16.4219 16.4219 18.7148 18.7148 k = 0.1419 0.1419-0.0000 ( 2977 PWs) bands (ev): -42.4827 -42.4827 -19.1499 -19.1499 -18.5240 -18.5240 -18.3518 -18.3518 5.8574 5.8574 5.9686 5.9686 6.2924 6.2924 7.7592 7.7592 7.8134 7.8134 8.4058 8.4058 14.4325 14.4325 14.5516 14.5516 14.7199 14.7199 16.3779 16.3779 16.4779 16.4779 18.5921 18.5921 k = 0.1351 0.1351-0.0000 ( 2977 PWs) bands (ev): -42.4836 -42.4836 -19.1489 -19.1489 -18.5221 -18.5221 -18.3479 -18.3479 5.8269 5.8269 5.9385 5.9385 6.2567 6.2567 7.7607 7.7607 7.8170 7.8170 8.4255 8.4255 14.4104 14.4104 14.5330 14.5330 14.7512 14.7512 16.3931 16.3931 16.5329 16.5329 18.4697 18.4697 k = 0.1284 0.1284-0.0000 ( 2981 PWs) bands (ev): -42.4844 -42.4844 -19.1478 -19.1478 -18.5203 -18.5203 -18.3441 -18.3441 5.7911 5.7911 5.9098 5.9098 6.2279 6.2279 7.7621 7.7621 7.8212 7.8212 8.4448 8.4448 14.3888 14.3888 14.5148 14.5148 14.7864 14.7864 16.4079 16.4079 16.5864 16.5864 18.3476 18.3476 k = 0.1216 0.1216-0.0000 ( 2977 PWs) bands (ev): -42.4852 -42.4852 -19.1469 -19.1469 -18.5185 -18.5185 -18.3404 -18.3404 5.7503 5.7503 5.8838 5.8838 6.2046 6.2046 7.7634 7.7634 7.8258 7.8258 8.4634 8.4634 14.3680 14.3680 14.4973 14.4973 14.8253 14.8253 16.4223 16.4223 16.6383 16.6383 18.2263 18.2263 k = 0.1149 0.1149-0.0000 ( 2977 PWs) bands (ev): -42.4860 -42.4860 -19.1460 -19.1460 -18.5168 -18.5168 -18.3369 -18.3369 5.7060 5.7060 5.8608 5.8608 6.1855 6.1855 7.7647 7.7647 7.8307 7.8307 8.4813 8.4813 14.3481 14.3481 14.4806 14.4806 14.8675 14.8675 16.4362 16.4362 16.6884 16.6884 18.1057 18.1057 k = 0.1081 0.1081-0.0000 ( 2977 PWs) bands (ev): -42.4868 -42.4868 -19.1451 -19.1451 -18.5152 -18.5152 -18.3336 -18.3336 5.6599 5.6599 5.8402 5.8402 6.1695 6.1695 7.7660 7.7660 7.8358 7.8358 8.4985 8.4985 14.3291 14.3291 14.4647 14.4647 14.9130 14.9130 16.4497 16.4497 16.7364 16.7364 17.9863 17.9863 k = 0.1014 0.1014-0.0000 ( 2981 PWs) bands (ev): -42.4875 -42.4875 -19.1443 -19.1443 -18.5136 -18.5136 -18.3304 -18.3304 5.6135 5.6135 5.8216 5.8216 6.1558 6.1558 7.7672 7.7672 7.8410 7.8410 8.5148 8.5148 14.3111 14.3111 14.4498 14.4498 14.9615 14.9615 16.4626 16.4626 16.7822 16.7822 17.8681 17.8681 k = 0.0946 0.0946-0.0000 ( 2981 PWs) bands (ev): -42.4881 -42.4881 -19.1435 -19.1435 -18.5121 -18.5121 -18.3273 -18.3273 5.5679 5.5679 5.8046 5.8046 6.1438 6.1438 7.7683 7.7683 7.8462 7.8462 8.5303 8.5303 14.2941 14.2941 14.4357 14.4357 15.0129 15.0129 16.4749 16.4749 16.8255 16.8255 17.7514 17.7514 k = 0.0878 0.0878-0.0000 ( 2983 PWs) bands (ev): -42.4887 -42.4887 -19.1428 -19.1428 -18.5107 -18.5107 -18.3245 -18.3245 5.5240 5.5240 5.7889 5.7889 6.1333 6.1333 7.7694 7.7694 7.8513 7.8513 8.5448 8.5448 14.2782 14.2782 14.4227 14.4227 15.0670 15.0670 16.4866 16.4866 16.8664 16.8664 17.6364 17.6364 k = 0.0811 0.0811-0.0000 ( 2987 PWs) bands (ev): -42.4893 -42.4893 -19.1422 -19.1422 -18.5094 -18.5094 -18.3218 -18.3218 5.4823 5.4823 5.7744 5.7744 6.1238 6.1238 7.7705 7.7705 7.8562 7.8562 8.5584 8.5584 14.2634 14.2634 14.4106 14.4106 15.1236 15.1236 16.4976 16.4976 16.9046 16.9046 17.5232 17.5232 k = 0.0743 0.0743-0.0000 ( 2979 PWs) bands (ev): -42.4899 -42.4899 -19.1416 -19.1416 -18.5081 -18.5081 -18.3194 -18.3194 5.4432 5.4432 5.7611 5.7611 6.1154 6.1154 7.7715 7.7715 7.8609 7.8609 8.5710 8.5710 14.2497 14.2497 14.3995 14.3995 15.1825 15.1825 16.5079 16.5079 16.9400 16.9400 17.4123 17.4123 k = 0.0676 0.0676-0.0000 ( 2979 PWs) bands (ev): -42.4904 -42.4904 -19.1410 -19.1410 -18.5070 -18.5070 -18.3171 -18.3171 5.4069 5.4069 5.7489 5.7489 6.1079 6.1079 7.7724 7.7724 7.8654 7.8654 8.5826 8.5826 14.2371 14.2371 14.3893 14.3893 15.2434 15.2434 16.5174 16.5174 16.9726 16.9726 17.3038 17.3038 k = 0.0608 0.0608-0.0000 ( 2979 PWs) bands (ev): -42.4908 -42.4908 -19.1405 -19.1405 -18.5059 -18.5059 -18.3150 -18.3150 5.3736 5.3736 5.7379 5.7379 6.1011 6.1011 7.7732 7.7732 7.8695 7.8695 8.5931 8.5931 14.2257 14.2257 14.3802 14.3802 15.3060 15.3060 16.5261 16.5261 17.0022 17.0022 17.1982 17.1982 k = 0.0541 0.0541-0.0000 ( 2983 PWs) bands (ev): -42.4912 -42.4912 -19.1401 -19.1401 -18.5049 -18.5049 -18.3131 -18.3131 5.3435 5.3435 5.7280 5.7280 6.0951 6.0951 7.7740 7.7740 7.8733 7.8733 8.6025 8.6025 14.2155 14.2155 14.3720 14.3720 15.3698 15.3698 16.5339 16.5339 17.0286 17.0286 17.0963 17.0963 k = 0.0473 0.0473-0.0000 ( 2987 PWs) bands (ev): -42.4916 -42.4916 -19.1397 -19.1397 -18.5041 -18.5041 -18.3115 -18.3115 5.3168 5.3168 5.7192 5.7192 6.0898 6.0898 7.7746 7.7746 7.8767 7.8767 8.6109 8.6109 14.2064 14.2064 14.3648 14.3648 15.4340 15.4340 16.5408 16.5408 16.9972 16.9972 17.0532 17.0532 k = 0.0405 0.0405-0.0000 ( 2983 PWs) bands (ev): -42.4919 -42.4919 -19.1394 -19.1394 -18.5033 -18.5033 -18.3100 -18.3100 5.2935 5.2935 5.7116 5.7116 6.0853 6.0853 7.7752 7.7752 7.8798 7.8798 8.6182 8.6182 14.1986 14.1986 14.3586 14.3586 15.4979 15.4979 16.5466 16.5466 16.9045 16.9045 17.0734 17.0734 k = 0.0338 0.0338-0.0000 ( 2985 PWs) bands (ev): -42.4921 -42.4921 -19.1391 -19.1391 -18.5027 -18.5027 -18.3088 -18.3088 5.2736 5.2736 5.7051 5.7051 6.0814 6.0814 7.7757 7.7757 7.8824 7.8824 8.6244 8.6244 14.1919 14.1919 14.3534 14.3534 15.5601 15.5601 16.5511 16.5511 16.8180 16.8180 17.0908 17.0908 k = 0.0270 0.0270-0.0000 ( 2991 PWs) bands (ev): -42.4924 -42.4924 -19.1388 -19.1388 -18.5022 -18.5022 -18.3078 -18.3078 5.2573 5.2573 5.6997 5.6997 6.0782 6.0782 7.7761 7.7761 7.8845 7.8845 8.6295 8.6295 14.1864 14.1864 14.3491 14.3491 15.6188 15.6188 16.5542 16.5542 16.7402 16.7402 17.1051 17.1051 k = 0.0203 0.0203-0.0000 ( 2989 PWs) bands (ev): -42.4925 -42.4925 -19.1387 -19.1387 -18.5018 -18.5018 -18.3070 -18.3070 5.2446 5.2446 5.6956 5.6956 6.0758 6.0758 7.7765 7.7765 7.8862 7.8862 8.6334 8.6334 14.1822 14.1822 14.3457 14.3457 15.6712 15.6712 16.5549 16.5549 16.6745 16.6745 17.1162 17.1162 k = 0.0135 0.0135-0.0000 ( 2989 PWs) bands (ev): -42.4927 -42.4927 -19.1385 -19.1385 -18.5015 -18.5015 -18.3065 -18.3065 5.2355 5.2355 5.6926 5.6926 6.0740 6.0740 7.7767 7.7767 7.8874 7.8874 8.6362 8.6362 14.1791 14.1791 14.3434 14.3434 15.7138 15.7138 16.5515 16.5515 16.6264 16.6264 17.1242 17.1242 k = 0.0068 0.0068-0.0000 ( 2993 PWs) bands (ev): -42.4927 -42.4927 -19.1384 -19.1384 -18.5013 -18.5013 -18.3061 -18.3061 5.2301 5.2301 5.6908 5.6908 6.0730 6.0730 7.7768 7.7768 7.8881 7.8881 8.6379 8.6379 14.1773 14.1773 14.3419 14.3419 15.7421 15.7421 16.5430 16.5430 16.6012 16.6012 17.1290 17.1290 k = 0.0000 0.0000 0.0000 ( 2977 PWs) bands (ev): -42.4927 -42.4927 -19.1384 -19.1384 -18.5012 -18.5012 -18.3060 -18.3060 5.2282 5.2282 5.6902 5.6902 6.0726 6.0726 7.7769 7.7769 7.8884 7.8884 8.6385 8.6385 14.1767 14.1767 14.3415 14.3415 15.7521 15.7521 16.5378 16.5378 16.5947 16.5947 17.1306 17.1306 k = 0.0000 0.0000 0.0000 ( 2977 PWs) bands (ev): -42.4927 -42.4927 -19.1384 -19.1384 -18.5012 -18.5012 -18.3060 -18.3060 5.2282 5.2282 5.6902 5.6902 6.0726 6.0726 7.7769 7.7769 7.8884 7.8884 8.6385 8.6385 14.1767 14.1767 14.3415 14.3415 15.7521 15.7521 16.5378 16.5378 16.5947 16.5947 17.1306 17.1306 k = 0.0000 0.0000 0.0095 ( 2969 PWs) bands (ev): -42.4927 -42.4927 -19.1384 -19.1384 -18.5013 -18.5013 -18.3060 -18.3060 5.2293 5.2293 5.6903 5.6903 6.0736 6.0736 7.7772 7.7772 7.8884 7.8884 8.6386 8.6386 14.1762 14.1762 14.3351 14.3351 15.7493 15.7493 16.5364 16.5364 16.5934 16.5934 17.1305 17.1305 k = 0.0000 0.0000 0.0191 ( 2969 PWs) bands (ev): -42.4927 -42.4927 -19.1385 -19.1385 -18.5013 -18.5013 -18.3060 -18.3060 5.2323 5.2323 5.6906 5.6906 6.0764 6.0764 7.7781 7.7781 7.8887 7.8887 8.6387 8.6387 14.1748 14.1748 14.3159 14.3159 15.7413 15.7413 16.5324 16.5324 16.5893 16.5893 17.1301 17.1301 k = 0.0000 0.0000 0.0286 ( 2985 PWs) bands (ev): -42.4927 -42.4927 -19.1386 -19.1386 -18.5014 -18.5014 -18.3060 -18.3060 5.2374 5.2374 5.6910 5.6910 6.0812 6.0812 7.7797 7.7797 7.8891 7.8891 8.6390 8.6390 14.1725 14.1725 14.2840 14.2840 15.7285 15.7285 16.5257 16.5257 16.5825 16.5825 17.1295 17.1295 k = 0.0000 0.0000 0.0382 ( 2985 PWs) bands (ev): -42.4927 -42.4927 -19.1387 -19.1387 -18.5014 -18.5014 -18.3060 -18.3060 5.2445 5.2445 5.6917 5.6917 6.0880 6.0880 7.7819 7.7819 7.8897 7.8897 8.6395 8.6395 14.1693 14.1693 14.2392 14.2392 15.7118 15.7118 16.5163 16.5163 16.5731 16.5731 17.1288 17.1288 k = 0.0000 0.0000 0.0477 ( 2985 PWs) bands (ev): -42.4927 -42.4927 -19.1388 -19.1388 -18.5016 -18.5016 -18.3060 -18.3060 5.2534 5.2534 5.6925 5.6925 6.0967 6.0967 7.7847 7.7847 7.8905 7.8905 8.6400 8.6400 14.1651 14.1651 14.1817 14.1817 15.6922 15.6922 16.5042 16.5042 16.5612 16.5612 17.1277 17.1277 k = 0.0000 0.0000 0.0573 ( 2985 PWs) bands (ev): -42.4927 -42.4927 -19.1390 -19.1390 -18.5017 -18.5017 -18.3060 -18.3060 5.2641 5.2641 5.6934 5.6934 6.1076 6.1076 7.7882 7.7882 7.8914 7.8914 8.6406 8.6406 14.1117 14.1117 14.1602 14.1602 15.6708 15.6708 16.4895 16.4895 16.5469 16.5469 17.1265 17.1265 k = 0.0000 0.0000 0.0668 ( 2977 PWs) bands (ev): -42.4927 -42.4927 -19.1392 -19.1392 -18.5019 -18.5019 -18.3060 -18.3060 5.2765 5.2765 5.6945 5.6945 6.1205 6.1205 7.7924 7.7924 7.8925 7.8925 8.6414 8.6414 14.0296 14.0296 14.1544 14.1544 15.6485 15.6485 16.4723 16.4723 16.5303 16.5303 17.1251 17.1251 k = 0.0000 0.0000 0.0764 ( 2973 PWs) bands (ev): -42.4927 -42.4927 -19.1395 -19.1395 -18.5020 -18.5020 -18.3061 -18.3061 5.2904 5.2904 5.6958 5.6958 6.1356 6.1356 7.7972 7.7972 7.8937 7.8937 8.6422 8.6422 13.9360 13.9360 14.1478 14.1478 15.6262 15.6262 16.4528 16.4528 16.5117 16.5117 17.1235 17.1235 k = 0.0000 0.0000 0.0859 ( 2973 PWs) bands (ev): -42.4927 -42.4927 -19.1397 -19.1397 -18.5022 -18.5022 -18.3061 -18.3061 5.3057 5.3057 5.6973 5.6973 6.1529 6.1529 7.8028 7.8028 7.8950 7.8950 8.6432 8.6432 13.8315 13.8315 14.1405 14.1405 15.6044 15.6044 16.4310 16.4310 16.4911 16.4911 17.1218 17.1218 k = 0.0000 0.0000 0.0955 ( 2965 PWs) bands (ev): -42.4926 -42.4926 -19.1400 -19.1400 -18.5025 -18.5025 -18.3061 -18.3061 5.3223 5.3223 5.6988 5.6988 6.1726 6.1726 7.8091 7.8091 7.8965 7.8965 8.6442 8.6442 13.7172 13.7172 14.1325 14.1325 15.5836 15.5836 16.4072 16.4072 16.4687 16.4687 17.1198 17.1198 k = 0.0000 0.0000 0.1050 ( 2966 PWs) bands (ev): -42.4926 -42.4926 -19.1403 -19.1403 -18.5027 -18.5027 -18.3061 -18.3061 5.3398 5.3398 5.7005 5.7005 6.1946 6.1946 7.8162 7.8162 7.8981 7.8981 8.6454 8.6454 13.5939 13.5939 14.1238 14.1238 15.5639 15.5639 16.3816 16.3816 16.4448 16.4448 17.1178 17.1178 k = 0.0000 0.0000 0.1146 ( 2974 PWs) bands (ev): -42.4926 -42.4926 -19.1407 -19.1407 -18.5030 -18.5030 -18.3061 -18.3061 5.3582 5.3582 5.7023 5.7023 6.2192 6.2192 7.8241 7.8241 7.8999 7.8999 8.6466 8.6466 13.4628 13.4628 14.1146 14.1146 15.5455 15.5455 16.3545 16.3545 16.4196 16.4196 17.1155 17.1155 k = 0.0000 0.0000 0.1241 ( 2974 PWs) bands (ev): -42.4926 -42.4926 -19.1410 -19.1410 -18.5032 -18.5032 -18.3061 -18.3061 5.3772 5.3772 5.7042 5.7042 6.2462 6.2462 7.8328 7.8328 7.9017 7.9017 8.6479 8.6479 13.3249 13.3249 14.1049 14.1049 15.5285 15.5285 16.3260 16.3260 16.3932 16.3932 17.1132 17.1132 k = 0.0000 0.0000 0.1336 ( 2966 PWs) bands (ev): -42.4925 -42.4925 -19.1414 -19.1414 -18.5035 -18.5035 -18.3062 -18.3062 5.3967 5.3967 5.7062 5.7062 6.2759 6.2759 7.8425 7.8425 7.9036 7.9036 8.6492 8.6492 13.1811 13.1811 14.0947 14.0947 15.5127 15.5127 16.2966 16.2966 16.3658 16.3658 17.1107 17.1107 k = 0.0000 0.0000 0.1432 ( 2962 PWs) bands (ev): -42.4925 -42.4925 -19.1418 -19.1418 -18.5038 -18.5038 -18.3062 -18.3062 5.4164 5.4164 5.7083 5.7083 6.3081 6.3081 7.8532 7.8532 7.9056 7.9056 8.6506 8.6506 13.0325 13.0325 14.0841 14.0841 15.4981 15.4981 16.2663 16.2663 16.3378 16.3378 17.1082 17.1082 k = 0.0000 0.0000 0.1527 ( 2962 PWs) bands (ev): -42.4925 -42.4925 -19.1422 -19.1422 -18.5041 -18.5041 -18.3062 -18.3062 5.4361 5.4361 5.7105 5.7105 6.3429 6.3429 7.8650 7.8650 7.9077 7.9077 8.6521 8.6521 12.8800 12.8800 14.0732 14.0732 15.4845 15.4845 16.2355 16.2355 16.3092 16.3092 17.1056 17.1056 k = 0.0000 0.0000 0.1623 ( 2974 PWs) bands (ev): -42.4924 -42.4924 -19.1426 -19.1426 -18.5044 -18.5044 -18.3062 -18.3062 5.4556 5.4556 5.7127 5.7127 6.3802 6.3802 7.8780 7.8780 7.9098 7.9098 8.6535 8.6535 12.7243 12.7243 14.0620 14.0620 15.4719 15.4719 16.2043 16.2043 16.2803 16.2803 17.1029 17.1029 k = 0.0000 0.0000 0.1718 ( 2978 PWs) bands (ev): -42.4924 -42.4924 -19.1430 -19.1430 -18.5047 -18.5047 -18.3063 -18.3063 5.4749 5.4749 5.7149 5.7149 6.4200 6.4200 7.8924 7.8924 7.9120 7.9120 8.6551 8.6551 12.5663 12.5663 14.0507 14.0507 15.4602 15.4602 16.1730 16.1730 16.2512 16.2512 17.1002 17.1002 k = 0.0000 0.0000 0.1814 ( 2978 PWs) bands (ev): -42.4924 -42.4924 -19.1434 -19.1434 -18.5050 -18.5050 -18.3063 -18.3063 5.4937 5.4937 5.7172 5.7172 6.4620 6.4620 7.9082 7.9082 7.9141 7.9141 8.6566 8.6566 12.4066 12.4066 14.0393 14.0393 15.4493 15.4493 16.1419 16.1419 16.2223 16.2223 17.0975 17.0975 k = 0.0000 0.0000 0.1909 ( 2986 PWs) bands (ev): -42.4923 -42.4923 -19.1438 -19.1438 -18.5054 -18.5054 -18.3063 -18.3063 5.5120 5.5120 5.7195 5.7195 6.5061 6.5061 7.9163 7.9163 7.9256 7.9256 8.6581 8.6581 12.2458 12.2458 14.0279 14.0279 15.4391 15.4391 16.1111 16.1111 16.1936 16.1936 17.0948 17.0948 k = 0.0000 0.0000 0.2005 ( 2990 PWs) bands (ev): -42.4923 -42.4923 -19.1443 -19.1443 -18.5057 -18.5057 -18.3063 -18.3063 5.5295 5.5295 5.7218 5.7218 6.5520 6.5520 7.9185 7.9185 7.9449 7.9449 8.6597 8.6597 12.0847 12.0847 14.0165 14.0165 15.4295 15.4295 16.0809 16.0809 16.1653 16.1653 17.0921 17.0921 k = 0.0000 0.0000 0.2100 ( 2990 PWs) bands (ev): -42.4923 -42.4923 -19.1447 -19.1447 -18.5060 -18.5060 -18.3063 -18.3063 5.5463 5.5463 5.7240 5.7240 6.5993 6.5993 7.9207 7.9207 7.9663 7.9663 8.6612 8.6612 11.9237 11.9237 14.0052 14.0052 15.4205 15.4205 16.0513 16.0513 16.1376 16.1376 17.0894 17.0894 k = 0.0000 0.0000 0.2196 ( 2978 PWs) bands (ev): -42.4922 -42.4922 -19.1451 -19.1451 -18.5063 -18.5063 -18.3064 -18.3064 5.5623 5.5623 5.7262 5.7262 6.6477 6.6477 7.9229 7.9229 7.9901 7.9901 8.6627 8.6627 11.7633 11.7633 13.9941 13.9941 15.4121 15.4121 16.0226 16.0226 16.1107 16.1107 17.0867 17.0867 k = 0.0000 0.0000 0.2291 ( 2978 PWs) bands (ev): -42.4922 -42.4922 -19.1455 -19.1455 -18.5066 -18.5066 -18.3064 -18.3064 5.5773 5.5773 5.7284 5.7284 6.6967 6.6967 7.9250 7.9250 8.0164 8.0164 8.6642 8.6642 11.6041 11.6041 13.9833 13.9833 15.4042 15.4042 15.9950 15.9950 16.0846 16.0846 17.0842 17.0842 k = 0.0000 0.0000 0.2387 ( 2986 PWs) bands (ev): -42.4922 -42.4922 -19.1459 -19.1459 -18.5069 -18.5069 -18.3064 -18.3064 5.5915 5.5915 5.7305 5.7305 6.7457 6.7457 7.9270 7.9270 8.0456 8.0456 8.6656 8.6656 11.4466 11.4466 13.9728 13.9728 15.3968 15.3968 15.9685 15.9685 16.0596 16.0596 17.0817 17.0817 k = 0.0000 0.0000 0.2482 ( 2986 PWs) bands (ev): -42.4922 -42.4922 -19.1463 -19.1463 -18.5072 -18.5072 -18.3064 -18.3064 5.6047 5.6047 5.7326 5.7326 6.7942 6.7942 7.9290 7.9290 8.0780 8.0780 8.6670 8.6670 11.2912 11.2912 13.9627 13.9627 15.3899 15.3899 15.9433 15.9433 16.0358 16.0358 17.0793 17.0793 k = 0.0000 0.0000 0.2578 ( 2990 PWs) bands (ev): -42.4921 -42.4921 -19.1466 -19.1466 -18.5074 -18.5074 -18.3064 -18.3064 5.6169 5.6169 5.7345 5.7345 6.8415 6.8415 7.9309 7.9309 8.1138 8.1138 8.6683 8.6683 11.1386 11.1386 13.9531 13.9531 15.3834 15.3834 15.9196 15.9196 16.0132 16.0132 17.0770 17.0770 k = 0.0000 0.0000 0.2673 ( 2990 PWs) bands (ev): -42.4921 -42.4921 -19.1470 -19.1470 -18.5077 -18.5077 -18.3065 -18.3065 5.6282 5.6282 5.7363 5.7363 6.8872 6.8872 7.9327 7.9327 8.1532 8.1532 8.6696 8.6696 10.9893 10.9893 13.9440 13.9440 15.3774 15.3774 15.8974 15.8974 15.9921 15.9921 17.0748 17.0748 k = 0.0000 0.0000 0.2768 ( 2990 PWs) bands (ev): -42.4921 -42.4921 -19.1473 -19.1473 -18.5079 -18.5079 -18.3065 -18.3065 5.6385 5.6385 5.7381 5.7381 6.9305 6.9305 7.9344 7.9344 8.1962 8.1962 8.6708 8.6708 10.8439 10.8439 13.9355 13.9355 15.3719 15.3719 15.8769 15.8769 15.9725 15.9725 17.0728 17.0728 k = 0.0000 0.0000 0.2864 ( 2990 PWs) bands (ev): -42.4921 -42.4921 -19.1476 -19.1476 -18.5081 -18.5081 -18.3065 -18.3065 5.6478 5.6478 5.7396 5.7396 6.9709 6.9709 7.9359 7.9359 8.2429 8.2429 8.6719 8.6719 10.7033 10.7033 13.9277 13.9277 15.3669 15.3669 15.8580 15.8580 15.9544 15.9544 17.0709 17.0709 k = 0.0000 0.0000 0.2959 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1478 -19.1478 -18.5083 -18.5083 -18.3065 -18.3065 5.6561 5.6561 5.7411 5.7411 7.0079 7.0079 7.9373 7.9373 8.2927 8.2927 8.6729 8.6729 10.5682 10.5682 13.9205 13.9205 15.3623 15.3623 15.8410 15.8410 15.9380 15.9380 17.0692 17.0692 k = 0.0000 0.0000 0.3055 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1481 -19.1481 -18.5085 -18.5085 -18.3065 -18.3065 5.6634 5.6634 5.7424 5.7424 7.0412 7.0412 7.9386 7.9386 8.3452 8.3452 8.6738 8.6738 10.4400 10.4400 13.9141 13.9141 15.3582 15.3582 15.8258 15.8258 15.9234 15.9234 17.0677 17.0677 k = 0.0000 0.0000 0.3150 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1483 -19.1483 -18.5087 -18.5087 -18.3065 -18.3065 5.6698 5.6698 5.7436 5.7436 7.0703 7.0703 7.9398 7.9398 8.3990 8.3990 8.6745 8.6745 10.3199 10.3199 13.9084 13.9084 15.3547 15.3547 15.8125 15.8125 15.9106 15.9106 17.0663 17.0663 k = 0.0000 0.0000 0.3246 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1485 -19.1485 -18.5088 -18.5088 -18.3065 -18.3065 5.6751 5.6751 5.7446 5.7446 7.0952 7.0952 7.9407 7.9407 8.4527 8.4527 8.6752 8.6752 10.2100 10.2100 13.9036 13.9036 15.3516 15.3516 15.8012 15.8012 15.8997 15.8997 17.0652 17.0652 k = 0.0000 0.0000 0.3341 ( 2974 PWs) bands (ev): -42.4920 -42.4920 -19.1486 -19.1486 -18.5089 -18.5089 -18.3066 -18.3066 5.6795 5.6795 5.7454 5.7454 7.1156 7.1156 7.9415 7.9415 8.5040 8.5040 8.6758 8.6758 10.1126 10.1126 13.8996 13.8996 15.3491 15.3491 15.7919 15.7919 15.8907 15.8907 17.0642 17.0642 k = 0.0000 0.0000 0.3437 ( 2986 PWs) bands (ev): -42.4920 -42.4920 -19.1487 -19.1487 -18.5090 -18.5090 -18.3066 -18.3066 5.6829 5.6829 5.7460 5.7460 7.1314 7.1314 7.9422 7.9422 8.5499 8.5499 8.6762 8.6762 10.0308 10.0308 13.8964 13.8964 15.3472 15.3472 15.7847 15.7847 15.8837 15.8837 17.0635 17.0635 k = 0.0000 0.0000 0.3532 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1488 -19.1488 -18.5090 -18.5090 -18.3066 -18.3066 5.6854 5.6854 5.7465 5.7465 7.1428 7.1428 7.9426 7.9426 8.5868 8.5868 8.6765 8.6765 9.9683 9.9683 13.8941 13.8941 15.3458 15.3458 15.7795 15.7795 15.8786 15.8786 17.0629 17.0629 k = 0.0000 0.0000 0.3628 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1489 -19.1489 -18.5091 -18.5091 -18.3066 -18.3066 5.6868 5.6868 5.7468 5.7468 7.1496 7.1496 7.9429 7.9429 8.6110 8.6110 8.6767 8.6767 9.9287 9.9287 13.8928 13.8928 15.3449 15.3449 15.7763 15.7763 15.8756 15.8756 17.0626 17.0626 k = 0.0000 0.0000 0.3723 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1489 -19.1489 -18.5091 -18.5091 -18.3066 -18.3066 5.6873 5.6873 5.7468 5.7468 7.1518 7.1518 7.9430 7.9430 8.6194 8.6194 8.6768 8.6768 9.9152 9.9152 13.8923 13.8923 15.3446 15.3446 15.7753 15.7753 15.8746 15.8746 17.0625 17.0625 k = 0.0000 0.0000 0.3723 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1489 -19.1489 -18.5091 -18.5091 -18.3066 -18.3066 5.6873 5.6873 5.7468 5.7468 7.1518 7.1518 7.9430 7.9430 8.6194 8.6194 8.6768 8.6768 9.9152 9.9152 13.8923 13.8923 15.3446 15.3446 15.7753 15.7753 15.8746 15.8746 17.0625 17.0625 k = 0.0000 0.0094 0.3723 ( 2990 PWs) bands (ev): -42.4919 -42.4919 -19.1489 -19.1489 -18.5092 -18.5092 -18.3067 -18.3067 5.6884 5.6884 5.7474 5.7474 7.1517 7.1517 7.9423 7.9423 8.6190 8.6190 8.6757 8.6757 9.9184 9.9184 13.8935 13.8935 15.3454 15.3454 15.7754 15.7754 15.8746 15.8746 17.0617 17.0617 k = 0.0000 0.0189 0.3723 ( 2990 PWs) bands (ev): -42.4919 -42.4919 -19.1490 -19.1490 -18.5093 -18.5093 -18.3070 -18.3070 5.6914 5.6914 5.7490 5.7490 7.1515 7.1515 7.9402 7.9402 8.6180 8.6180 8.6725 8.6725 9.9283 9.9283 13.8970 13.8970 15.3476 15.3476 15.7756 15.7756 15.8747 15.8747 17.0594 17.0594 k = 0.0000 0.0283 0.3723 ( 2982 PWs) bands (ev): -42.4918 -42.4918 -19.1491 -19.1491 -18.5096 -18.5096 -18.3075 -18.3075 5.6962 5.6962 5.7519 5.7519 7.1510 7.1510 7.9367 7.9367 8.6161 8.6161 8.6675 8.6675 9.9445 9.9445 13.9028 13.9028 15.3513 15.3513 15.7758 15.7758 15.8752 15.8752 17.0555 17.0555 k = 0.0000 0.0377 0.3723 ( 2978 PWs) bands (ev): -42.4916 -42.4916 -19.1492 -19.1492 -18.5100 -18.5100 -18.3083 -18.3083 5.7021 5.7021 5.7567 5.7567 7.1505 7.1505 7.9318 7.9318 8.6132 8.6132 8.6608 8.6608 9.9669 9.9669 13.9109 13.9109 15.3566 15.3566 15.7757 15.7757 15.8761 15.8761 17.0501 17.0501 k = 0.0000 0.0472 0.3723 ( 2980 PWs) bands (ev): -42.4914 -42.4914 -19.1493 -19.1493 -18.5105 -18.5105 -18.3092 -18.3092 5.7084 5.7084 5.7639 5.7639 7.1499 7.1499 7.9257 7.9257 8.6092 8.6092 8.6532 8.6532 9.9951 9.9951 13.9212 13.9212 15.3633 15.3633 15.7748 15.7748 15.8781 15.8781 17.0433 17.0433 k = 0.0000 0.0566 0.3723 ( 2976 PWs) bands (ev): -42.4911 -42.4911 -19.1495 -19.1495 -18.5111 -18.5111 -18.3103 -18.3103 5.7145 5.7145 5.7742 5.7742 7.1495 7.1495 7.9185 7.9185 8.6034 8.6034 8.6453 8.6453 10.0290 10.0290 13.9337 13.9337 15.3714 15.3714 15.7728 15.7728 15.8813 15.8813 17.0350 17.0350 k = 0.0000 0.0660 0.3723 ( 2974 PWs) bands (ev): -42.4908 -42.4908 -19.1498 -19.1498 -18.5118 -18.5118 -18.3116 -18.3116 5.7197 5.7197 5.7879 5.7879 7.1492 7.1492 7.9101 7.9101 8.5955 8.5955 8.6379 8.6379 10.0682 10.0682 13.9482 13.9482 15.3810 15.3810 15.7692 15.7692 15.8862 15.8862 17.0252 17.0252 k = 0.0000 0.0755 0.3723 ( 2974 PWs) bands (ev): -42.4905 -42.4905 -19.1501 -19.1501 -18.5127 -18.5127 -18.3130 -18.3130 5.7240 5.7240 5.8049 5.8049 7.1493 7.1493 7.9008 7.9008 8.5852 8.5852 8.6317 8.6317 10.1122 10.1122 13.9647 13.9647 15.3920 15.3920 15.7638 15.7638 15.8929 15.8929 17.0141 17.0141 k = 0.0000 0.0849 0.3723 ( 2970 PWs) bands (ev): -42.4901 -42.4901 -19.1504 -19.1504 -18.5136 -18.5136 -18.3146 -18.3146 5.7276 5.7276 5.8247 5.8247 7.1499 7.1499 7.8906 7.8906 8.5727 8.5727 8.6266 8.6266 10.1609 10.1609 13.9831 13.9831 15.4045 15.4045 15.7566 15.7566 15.9015 15.9015 17.0017 17.0017 k = 0.0000 0.0943 0.3723 ( 2968 PWs) bands (ev): -42.4897 -42.4897 -19.1507 -19.1507 -18.5147 -18.5147 -18.3164 -18.3164 5.7307 5.7307 5.8469 5.8469 7.1513 7.1513 7.8797 7.8797 8.5584 8.5584 8.6225 8.6225 10.2139 10.2139 14.0033 14.0033 15.4182 15.4182 15.7474 15.7474 15.9120 15.9120 16.9881 16.9881 k = 0.0000 0.1038 0.3723 ( 2966 PWs) bands (ev): -42.4892 -42.4892 -19.1511 -19.1511 -18.5160 -18.5160 -18.3182 -18.3182 5.7335 5.7335 5.8710 5.8710 7.1537 7.1537 7.8683 7.8683 8.5428 8.5428 8.6192 8.6192 10.2709 10.2709 14.0250 14.0250 15.4332 15.4332 15.7365 15.7365 15.9242 15.9242 16.9732 16.9732 k = 0.0000 0.1132 0.3723 ( 2958 PWs) bands (ev): -42.4887 -42.4887 -19.1516 -19.1516 -18.5173 -18.5173 -18.3202 -18.3202 5.7362 5.7362 5.8963 5.8963 7.1575 7.1575 7.8564 7.8564 8.5264 8.5264 8.6166 8.6166 10.3316 10.3316 14.0483 14.0483 15.4494 15.4494 15.7240 15.7240 15.9380 15.9380 16.9573 16.9573 k = 0.0000 0.1226 0.3723 ( 2956 PWs) bands (ev): -42.4882 -42.4882 -19.1521 -19.1521 -18.5189 -18.5189 -18.3222 -18.3222 5.7387 5.7387 5.9226 5.9226 7.1629 7.1629 7.8442 7.8442 8.5095 8.5095 8.6146 8.6146 10.3960 10.3960 14.0729 14.0729 15.4665 15.4665 15.7100 15.7100 15.9532 15.9532 16.9403 16.9403 k = 0.0000 0.1321 0.3723 ( 2960 PWs) bands (ev): -42.4876 -42.4876 -19.1526 -19.1526 -18.5205 -18.5205 -18.3243 -18.3243 5.7413 5.7413 5.9491 5.9491 7.1704 7.1704 7.8318 7.8318 8.4922 8.4922 8.6131 8.6131 10.4636 10.4636 14.0986 14.0986 15.4842 15.4842 15.6951 15.6951 15.9697 15.9697 16.9224 16.9224 k = 0.0000 0.1415 0.3723 ( 2958 PWs) bands (ev): -42.4870 -42.4870 -19.1532 -19.1532 -18.5223 -18.5223 -18.3264 -18.3264 5.7437 5.7437 5.9754 5.9754 7.1804 7.1804 7.8193 7.8193 8.4748 8.4748 8.6123 8.6123 10.5344 10.5344 14.1254 14.1254 15.5019 15.5019 15.6797 15.6797 15.9872 15.9872 16.9035 16.9035 k = 0.0000 0.1509 0.3723 ( 2958 PWs) bands (ev): -42.4864 -42.4864 -19.1538 -19.1538 -18.5243 -18.5243 -18.3286 -18.3286 5.7462 5.7462 6.0009 6.0009 7.1931 7.1931 7.8070 7.8070 8.4575 8.4575 8.6122 8.6122 10.6081 10.6081 14.1529 14.1529 15.5181 15.5181 15.6652 15.6652 16.0058 16.0058 16.8839 16.8839 k = 0.0000 0.1604 0.3723 ( 2962 PWs) bands (ev): -42.4858 -42.4858 -19.1545 -19.1545 -18.5264 -18.5264 -18.3307 -18.3307 5.7487 5.7487 6.0251 6.0251 7.2090 7.2090 7.7948 7.7948 8.4405 8.4405 8.6128 8.6128 10.6846 10.6846 14.1812 14.1812 15.5300 15.5300 15.6544 15.6544 16.0252 16.0252 16.8636 16.8636 k = 0.0000 0.1698 0.3723 ( 2966 PWs) bands (ev): -42.4851 -42.4851 -19.1553 -19.1553 -18.5286 -18.5286 -18.3329 -18.3329 5.7512 5.7512 6.0475 6.0475 7.2284 7.2284 7.7829 7.7829 8.4239 8.4239 8.6145 8.6145 10.7638 10.7638 14.2099 14.2099 15.5331 15.5331 15.6518 15.6518 16.0454 16.0454 16.8426 16.8426 k = 0.0000 0.1792 0.3723 ( 2958 PWs) bands (ev): -42.4844 -42.4844 -19.1560 -19.1560 -18.5310 -18.5310 -18.3350 -18.3350 5.7537 5.7537 6.0676 6.0676 7.2514 7.2514 7.7715 7.7715 8.4079 8.4079 8.6172 8.6172 10.8455 10.8455 14.2388 14.2388 15.5241 15.5241 15.6604 15.6604 16.0663 16.0663 16.8211 16.8211 k = 0.0000 0.1887 0.3723 ( 2958 PWs) bands (ev): -42.4837 -42.4837 -19.1569 -19.1569 -18.5335 -18.5335 -18.3371 -18.3371 5.7562 5.7562 6.0850 6.0850 7.2780 7.2780 7.7605 7.7605 8.3927 8.3927 8.6212 8.6212 10.9295 10.9295 14.2679 14.2679 15.5048 15.5048 15.6784 15.6784 16.0877 16.0877 16.7992 16.7992 k = 0.0000 0.1981 0.3723 ( 2966 PWs) bands (ev): -42.4829 -42.4829 -19.1578 -19.1578 -18.5362 -18.5362 -18.3391 -18.3391 5.7587 5.7587 6.0994 6.0994 7.3080 7.3080 7.7503 7.7503 8.3785 8.3785 8.6268 8.6268 11.0158 11.0158 14.2968 14.2968 15.4785 15.4785 15.7022 15.7022 16.1095 16.1095 16.7768 16.7768 k = 0.0000 0.2075 0.3723 ( 2966 PWs) bands (ev): -42.4822 -42.4822 -19.1587 -19.1587 -18.5390 -18.5390 -18.3410 -18.3410 5.7611 5.7611 6.1107 6.1107 7.3411 7.3411 7.7410 7.7410 8.3657 8.3657 8.6343 8.6343 11.1043 11.1043 14.3254 14.3254 15.4473 15.4473 15.7297 15.7297 16.1317 16.1317 16.7543 16.7543 k = 0.0000 0.2170 0.3723 ( 2970 PWs) bands (ev): -42.4814 -42.4814 -19.1597 -19.1597 -18.5419 -18.5419 -18.3429 -18.3429 5.7636 5.7636 6.1189 6.1189 7.3763 7.3763 7.7327 7.7327 8.3543 8.3543 8.6441 8.6441 11.1947 11.1947 14.3534 14.3534 15.4120 15.4120 15.7595 15.7595 16.1542 16.1542 16.7315 16.7315 k = 0.0000 0.2264 0.3723 ( 2970 PWs) bands (ev): -42.4806 -42.4806 -19.1607 -19.1607 -18.5449 -18.5449 -18.3446 -18.3446 5.7660 5.7660 6.1239 6.1239 7.4128 7.4128 7.7259 7.7259 8.3447 8.3447 8.6568 8.6568 11.2870 11.2870 14.3807 14.3807 15.3732 15.3732 15.7911 15.7911 16.1768 16.1768 16.7086 16.7086 k = 0.0000 0.2358 0.3723 ( 2978 PWs) bands (ev): -42.4798 -42.4798 -19.1618 -19.1618 -18.5480 -18.5480 -18.3463 -18.3463 5.7683 5.7683 6.1260 6.1260 7.4489 7.4489 7.7211 7.7211 8.3371 8.3371 8.6730 8.6730 11.3810 11.3810 14.4071 14.4071 15.3308 15.3308 15.8242 15.8242 16.1995 16.1995 16.6857 16.6857 k = 0.0000 0.2453 0.3723 ( 2982 PWs) bands (ev): -42.4791 -42.4791 -19.1629 -19.1629 -18.5511 -18.5511 -18.3479 -18.3479 5.7706 5.7706 6.1254 6.1254 7.4829 7.4829 7.7188 7.7188 8.3318 8.3318 8.6936 8.6936 11.4765 11.4765 14.4323 14.4323 15.2849 15.2849 15.8584 15.8584 16.2222 16.2222 16.6628 16.6628 k = 0.0000 0.2547 0.3723 ( 2986 PWs) bands (ev): -42.4783 -42.4783 -19.1641 -19.1641 -18.5544 -18.5544 -18.3494 -18.3494 5.7728 5.7728 6.1224 6.1224 7.5128 7.5128 7.7198 7.7198 8.3288 8.3288 8.7195 8.7195 11.5736 11.5736 14.4561 14.4561 15.2354 15.2354 15.8936 15.8936 16.2449 16.2449 16.6401 16.6401 k = 0.0000 0.2642 0.3723 ( 2986 PWs) bands (ev): -42.4775 -42.4775 -19.1653 -19.1653 -18.5577 -18.5577 -18.3508 -18.3508 5.7749 5.7749 6.1172 6.1172 7.5365 7.5365 7.7248 7.7248 8.3282 8.3282 8.7517 8.7517 11.6719 11.6719 14.4782 14.4782 15.1824 15.1824 15.9295 15.9295 16.2673 16.2673 16.6176 16.6176 k = 0.0000 0.2736 0.3723 ( 2986 PWs) bands (ev): -42.4767 -42.4767 -19.1665 -19.1665 -18.5610 -18.5610 -18.3520 -18.3520 5.7769 5.7769 6.1102 6.1102 7.5531 7.5531 7.7337 7.7337 8.3298 8.3298 8.7914 8.7914 11.7714 11.7714 14.4983 14.4983 15.1256 15.1256 15.9660 15.9660 16.2896 16.2896 16.5955 16.5955 k = 0.0000 0.2830 0.3723 ( 2982 PWs) bands (ev): -42.4759 -42.4759 -19.1678 -19.1678 -18.5643 -18.5643 -18.3532 -18.3532 5.7789 5.7789 6.1017 6.1017 7.5629 7.5629 7.7451 7.7451 8.3333 8.3333 8.8395 8.8395 11.8718 11.8718 14.5159 14.5159 15.0653 15.0653 16.0028 16.0028 16.3115 16.3115 16.5736 16.5736 k = 0.0000 0.2925 0.3723 ( 2978 PWs) bands (ev): -42.4751 -42.4751 -19.1691 -19.1691 -18.5676 -18.5676 -18.3543 -18.3543 5.7807 5.7807 6.0919 6.0919 7.5675 7.5675 7.7572 7.7572 8.3381 8.3381 8.8967 8.8967 11.9730 11.9730 14.5304 14.5304 15.0016 15.0016 16.0399 16.0399 16.3330 16.3330 16.5523 16.5523 k = 0.0000 0.3019 0.3723 ( 2970 PWs) bands (ev): -42.4744 -42.4744 -19.1704 -19.1704 -18.5709 -18.5709 -18.3552 -18.3552 5.7824 5.7824 6.0811 6.0811 7.5682 7.5682 7.7682 7.7682 8.3438 8.3438 8.9634 8.9634 12.0748 12.0748 14.5409 14.5409 14.9354 14.9354 16.0770 16.0770 16.3541 16.3541 16.5314 16.5314 k = 0.0000 0.3113 0.3723 ( 2970 PWs) bands (ev): -42.4737 -42.4737 -19.1717 -19.1717 -18.5742 -18.5742 -18.3561 -18.3561 5.7840 5.7840 6.0696 6.0696 7.5666 7.5666 7.7772 7.7772 8.3498 8.3498 9.0394 9.0394 12.1769 12.1769 14.5455 14.5455 14.8680 14.8680 16.1139 16.1139 16.3746 16.3746 16.5111 16.5111 k = 0.0000 0.3208 0.3723 ( 2966 PWs) bands (ev): -42.4729 -42.4729 -19.1730 -19.1730 -18.5774 -18.5774 -18.3569 -18.3569 5.7854 5.7854 6.0577 6.0577 7.5634 7.5634 7.7837 7.7837 8.3557 8.3557 9.1244 9.1244 12.2791 12.2791 14.5405 14.5405 14.8029 14.8029 16.1505 16.1505 16.3945 16.3945 16.4916 16.4916 k = 0.0000 0.3302 0.3723 ( 2970 PWs) bands (ev): -42.4722 -42.4722 -19.1743 -19.1743 -18.5805 -18.5805 -18.3577 -18.3577 5.7867 5.7867 6.0454 6.0454 7.5593 7.5593 7.7879 7.7879 8.3613 8.3613 9.2177 9.2177 12.3811 12.3811 14.5194 14.5194 14.7466 14.7466 16.1866 16.1866 16.4136 16.4136 16.4729 16.4729 k = 0.0000 0.3396 0.3723 ( 2972 PWs) bands (ev): -42.4715 -42.4715 -19.1756 -19.1756 -18.5836 -18.5836 -18.3583 -18.3583 5.7879 5.7879 6.0330 6.0330 7.5547 7.5547 7.7900 7.7900 8.3665 8.3665 9.3186 9.3186 12.4826 12.4826 14.4747 14.4747 14.7065 14.7065 16.2218 16.2218 16.4310 16.4310 16.4560 16.4560 k = 0.0000 0.3491 0.3723 ( 2972 PWs) bands (ev): -42.4709 -42.4709 -19.1769 -19.1769 -18.5865 -18.5865 -18.3589 -18.3589 5.7888 5.7888 6.0207 6.0207 7.5497 7.5497 7.7903 7.7903 8.3711 8.3711 9.4261 9.4261 12.5832 12.5832 14.4063 14.4063 14.6828 14.6828 16.2561 16.2561 16.4333 16.4333 16.4542 16.4542 k = 0.0000 0.3585 0.3723 ( 2968 PWs) bands (ev): -42.4703 -42.4703 -19.1782 -19.1782 -18.5894 -18.5894 -18.3594 -18.3594 5.7897 5.7897 6.0086 6.0086 7.5446 7.5446 7.7894 7.7894 8.3751 8.3751 9.5394 9.5394 12.6823 12.6823 14.3214 14.3214 14.6685 14.6685 16.2892 16.2892 16.4187 16.4187 16.4697 16.4697 k = 0.0000 0.3679 0.3723 ( 2972 PWs) bands (ev): -42.4697 -42.4697 -19.1794 -19.1794 -18.5921 -18.5921 -18.3598 -18.3598 5.7903 5.7903 5.9969 5.9969 7.5395 7.5395 7.7874 7.7874 8.3786 8.3786 9.6577 9.6577 12.7794 12.7794 14.2264 14.2264 14.6578 14.6578 16.3207 16.3207 16.4036 16.4036 16.4859 16.4859 k = 0.0000 0.3774 0.3723 ( 2974 PWs) bands (ev): -42.4691 -42.4691 -19.1806 -19.1806 -18.5947 -18.5947 -18.3602 -18.3602 5.7909 5.7909 5.9856 5.9856 7.5345 7.5345 7.7847 7.7847 8.3816 8.3816 9.7801 9.7801 12.8735 12.8735 14.1254 14.1254 14.6474 14.6474 16.3497 16.3497 16.3903 16.3903 16.5015 16.5015 k = 0.0000 0.3868 0.3723 ( 2978 PWs) bands (ev): -42.4686 -42.4686 -19.1817 -19.1817 -18.5971 -18.5971 -18.3605 -18.3605 5.7912 5.7912 5.9749 5.9749 7.5297 7.5297 7.7815 7.7815 8.3842 8.3842 9.9058 9.9058 12.9631 12.9631 14.0215 14.0215 14.6358 14.6358 16.3667 16.3667 16.3881 16.3881 16.5163 16.5163 k = 0.0000 0.3962 0.3723 ( 2978 PWs) bands (ev): -42.4681 -42.4681 -19.1828 -19.1828 -18.5993 -18.5993 -18.3608 -18.3608 5.7914 5.7914 5.9649 5.9649 7.5251 7.5251 7.7782 7.7782 8.3864 8.3864 10.0338 10.0338 13.0461 13.0461 13.9180 13.9180 14.6220 14.6220 16.3587 16.3587 16.4100 16.4100 16.5304 16.5304 k = 0.0000 0.4057 0.3723 ( 2978 PWs) bands (ev): -42.4676 -42.4676 -19.1838 -19.1838 -18.6014 -18.6014 -18.3611 -18.3611 5.7914 5.7914 5.9556 5.9556 7.5207 7.5207 7.7747 7.7747 8.3883 8.3883 10.1634 10.1634 13.1180 13.1180 13.8202 13.8202 14.6056 14.6056 16.3476 16.3476 16.4339 16.4339 16.5436 16.5436 k = 0.0000 0.4151 0.3723 ( 2970 PWs) bands (ev): -42.4672 -42.4672 -19.1848 -19.1848 -18.6033 -18.6033 -18.3613 -18.3613 5.7914 5.7914 5.9471 5.9471 7.5166 7.5166 7.7713 7.7713 8.3899 8.3899 10.2934 10.2934 13.1707 13.1707 13.7371 13.7371 14.5864 14.5864 16.3370 16.3370 16.4560 16.4560 16.5559 16.5559 k = 0.0000 0.4245 0.3723 ( 2966 PWs) bands (ev): -42.4668 -42.4668 -19.1857 -19.1857 -18.6051 -18.6051 -18.3615 -18.3615 5.7912 5.7912 5.9395 5.9395 7.5129 7.5129 7.7680 7.7680 8.3912 8.3912 10.4226 10.4226 13.1904 13.1904 13.6831 13.6831 14.5643 14.5643 16.3273 16.3273 16.4760 16.4760 16.5674 16.5674 k = 0.0000 0.4340 0.3723 ( 2970 PWs) bands (ev): -42.4665 -42.4665 -19.1865 -19.1865 -18.6066 -18.6066 -18.3616 -18.3616 5.7909 5.7909 5.9327 5.9327 7.5096 7.5096 7.7650 7.7650 8.3923 8.3923 10.5495 10.5495 13.1658 13.1658 13.6707 13.6707 14.5394 14.5394 16.3187 16.3187 16.4936 16.4936 16.5780 16.5780 k = 0.0000 0.4434 0.3723 ( 2966 PWs) bands (ev): -42.4662 -42.4662 -19.1872 -19.1872 -18.6079 -18.6079 -18.3617 -18.3617 5.7905 5.7905 5.9269 5.9269 7.5066 7.5066 7.7622 7.7622 8.3932 8.3932 10.6722 10.6722 13.1036 13.1036 13.6946 13.6946 14.5121 14.5121 16.3111 16.3111 16.5087 16.5087 16.5875 16.5875 k = 0.0000 0.4528 0.3723 ( 2966 PWs) bands (ev): -42.4659 -42.4659 -19.1877 -19.1877 -18.6091 -18.6091 -18.3619 -18.3619 5.7902 5.7902 5.9219 5.9219 7.5040 7.5040 7.7598 7.7598 8.3939 8.3939 10.7881 10.7881 13.0222 13.0222 13.7378 13.7378 14.4831 14.4831 16.3047 16.3047 16.5213 16.5213 16.5960 16.5960 k = 0.0000 0.4623 0.3723 ( 2970 PWs) bands (ev): -42.4657 -42.4657 -19.1882 -19.1882 -18.6100 -18.6100 -18.3619 -18.3619 5.7898 5.7898 5.9179 5.9179 7.5019 7.5019 7.7578 7.7578 8.3945 8.3945 10.8938 10.8938 12.9367 12.9367 13.7873 13.7873 14.4534 14.4534 16.2994 16.2994 16.5314 16.5314 16.6032 16.6032 k = 0.0000 0.4717 0.3723 ( 2970 PWs) bands (ev): -42.4655 -42.4655 -19.1886 -19.1886 -18.6107 -18.6107 -18.3620 -18.3620 5.7895 5.7895 5.9148 5.9148 7.5003 7.5003 7.7562 7.7562 8.3949 8.3949 10.9851 10.9851 12.8578 12.8578 13.8349 13.8349 14.4248 14.4248 16.2952 16.2952 16.5392 16.5392 16.6090 16.6090 k = 0.0000 0.4811 0.3723 ( 2974 PWs) bands (ev): -42.4654 -42.4654 -19.1889 -19.1889 -18.6113 -18.6113 -18.3620 -18.3620 5.7892 5.7892 5.9125 5.9125 7.4991 7.4991 7.7551 7.7551 8.3952 8.3952 11.0567 11.0567 12.7937 12.7937 13.8748 13.8748 14.4000 14.4000 16.2923 16.2923 16.5446 16.5446 16.6133 16.6133 k = 0.0000 0.4906 0.3723 ( 2972 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6116 -18.6116 -18.3621 -18.3621 5.7890 5.7890 5.9112 5.9112 7.4984 7.4984 7.7544 7.7544 8.3954 8.3954 11.1028 11.1028 12.7516 12.7516 13.9017 13.9017 14.3827 14.3827 16.2905 16.2905 16.5479 16.5479 16.6159 16.6159 k = 0.0000 0.5000 0.3723 ( 2980 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6117 -18.6117 -18.3621 -18.3621 5.7890 5.7890 5.9108 5.9108 7.4981 7.4981 7.7542 7.7542 8.3955 8.3955 11.1187 11.1187 12.7369 12.7369 13.9112 13.9112 14.3764 14.3764 16.2899 16.2899 16.5489 16.5489 16.6168 16.6168 k = 0.0000 0.5000 0.3723 ( 2980 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6117 -18.6117 -18.3621 -18.3621 5.7890 5.7890 5.9108 5.9108 7.4981 7.4981 7.7542 7.7542 8.3955 8.3955 11.1187 11.1187 12.7369 12.7369 13.9112 13.9112 14.3764 14.3764 16.2899 16.2899 16.5489 16.5489 16.6168 16.6168 k = 0.0094 0.5000 0.3723 ( 2976 PWs) bands (ev): -42.4653 -42.4653 -19.1892 -19.1892 -18.6117 -18.6117 -18.3622 -18.3622 5.7900 5.7900 5.9111 5.9111 7.4980 7.4980 7.7539 7.7539 8.3950 8.3950 11.1192 11.1192 12.7376 12.7376 13.9096 13.9096 14.3783 14.3783 16.2931 16.2931 16.5493 16.5493 16.6175 16.6175 k = 0.0189 0.5000 0.3723 ( 2980 PWs) bands (ev): -42.4652 -42.4652 -19.1892 -19.1892 -18.6116 -18.6116 -18.3628 -18.3628 5.7929 5.7929 5.9120 5.9120 7.4976 7.4976 7.7530 7.7530 8.3935 8.3935 11.1206 11.1206 12.7396 12.7396 13.9046 13.9046 14.3841 14.3841 16.3029 16.3029 16.5504 16.5504 16.6196 16.6196 k = 0.0283 0.5000 0.3723 ( 2968 PWs) bands (ev): -42.4651 -42.4651 -19.1893 -19.1893 -18.6115 -18.6115 -18.3637 -18.3637 5.7978 5.7978 5.9134 5.9134 7.4970 7.4970 7.7515 7.7515 8.3912 8.3912 11.1230 11.1230 12.7428 12.7428 13.8965 13.8965 14.3937 14.3937 16.3190 16.3190 16.5520 16.5520 16.6234 16.6234 k = 0.0377 0.5000 0.3723 ( 2968 PWs) bands (ev): -42.4650 -42.4650 -19.1894 -19.1894 -18.6113 -18.6113 -18.3650 -18.3650 5.8045 5.8045 5.9156 5.9156 7.4962 7.4962 7.7495 7.7495 8.3879 8.3879 11.1264 11.1264 12.7473 12.7473 13.8853 13.8853 14.4072 14.4072 16.3413 16.3413 16.5540 16.5540 16.6291 16.6291 k = 0.0472 0.5000 0.3723 ( 2960 PWs) bands (ev): -42.4647 -42.4647 -19.1895 -19.1895 -18.6111 -18.6111 -18.3666 -18.3666 5.8129 5.8129 5.9183 5.9183 7.4953 7.4953 7.7469 7.7469 8.3838 8.3838 11.1307 11.1307 12.7529 12.7529 13.8712 13.8712 14.4245 14.4245 16.3696 16.3696 16.5561 16.5561 16.6372 16.6372 k = 0.0566 0.5000 0.3723 ( 2964 PWs) bands (ev): -42.4645 -42.4645 -19.1897 -19.1897 -18.6109 -18.6109 -18.3685 -18.3685 5.8228 5.8228 5.9219 5.9219 7.4944 7.4944 7.7437 7.7437 8.3789 8.3789 11.1360 11.1360 12.7595 12.7595 13.8543 13.8543 14.4455 14.4455 16.4035 16.4035 16.5580 16.5580 16.6480 16.6480 k = 0.0660 0.5000 0.3723 ( 2956 PWs) bands (ev): -42.4642 -42.4642 -19.1899 -19.1899 -18.6106 -18.6106 -18.3708 -18.3708 5.8338 5.8338 5.9262 5.9262 7.4935 7.4935 7.7401 7.7401 8.3734 8.3734 11.1423 11.1423 12.7669 12.7669 13.8350 13.8350 14.4704 14.4704 16.4428 16.4428 16.5596 16.5596 16.6620 16.6620 k = 0.0755 0.5000 0.3723 ( 2960 PWs) bands (ev): -42.4639 -42.4639 -19.1902 -19.1902 -18.6102 -18.6102 -18.3734 -18.3734 5.8458 5.8458 5.9314 5.9314 7.4929 7.4929 7.7361 7.7361 8.3674 8.3674 11.1496 11.1496 12.7750 12.7750 13.8135 13.8135 14.4989 14.4989 16.4868 16.4868 16.5610 16.5610 16.6796 16.6796 k = 0.0849 0.5000 0.3723 ( 2960 PWs) bands (ev): -42.4635 -42.4635 -19.1905 -19.1905 -18.6098 -18.6098 -18.3763 -18.3763 5.8583 5.8583 5.9378 5.9378 7.4927 7.4927 7.7316 7.7316 8.3609 8.3609 11.1579 11.1579 12.7836 12.7836 13.7899 13.7899 14.5312 14.5312 16.5340 16.5340 16.5630 16.5630 16.7013 16.7013 k = 0.0943 0.5000 0.3723 ( 2960 PWs) bands (ev): -42.4631 -42.4631 -19.1908 -19.1908 -18.6094 -18.6094 -18.3795 -18.3795 5.8708 5.8708 5.9456 5.9456 7.4931 7.4931 7.7268 7.7268 8.3542 8.3542 11.1673 11.1673 12.7925 12.7925 13.7646 13.7646 14.5670 14.5670 16.5595 16.5595 16.5896 16.5896 16.7280 16.7280 k = 0.1038 0.5000 0.3723 ( 2968 PWs) bands (ev): -42.4626 -42.4626 -19.1912 -19.1912 -18.6090 -18.6090 -18.3830 -18.3830 5.8829 5.8829 5.9549 5.9549 7.4942 7.4942 7.7217 7.7217 8.3472 8.3472 11.1779 11.1779 12.8014 12.8014 13.7378 13.7378 14.6065 14.6065 16.5608 16.5608 16.6416 16.6416 16.7612 16.7612 k = 0.1132 0.5000 0.3723 ( 2968 PWs) bands (ev): -42.4621 -42.4621 -19.1916 -19.1916 -18.6085 -18.6085 -18.3868 -18.3868 5.8939 5.8939 5.9659 5.9659 7.4962 7.4962 7.7164 7.7164 8.3403 8.3403 11.1895 11.1895 12.8103 12.8103 13.7098 13.7098 14.6494 14.6494 16.5610 16.5610 16.6939 16.6939 16.8029 16.8029 k = 0.1226 0.5000 0.3723 ( 2968 PWs) bands (ev): -42.4616 -42.4616 -19.1920 -19.1920 -18.6080 -18.6080 -18.3908 -18.3908 5.9039 5.9039 5.9784 5.9784 7.4992 7.4992 7.7112 7.7112 8.3334 8.3334 11.2023 11.2023 12.8187 12.8187 13.6808 13.6808 14.6957 14.6957 16.5608 16.5608 16.7436 16.7436 16.8551 16.8551 k = 0.1321 0.5000 0.3723 ( 2972 PWs) bands (ev): -42.4611 -42.4611 -19.1925 -19.1925 -18.6074 -18.6074 -18.3951 -18.3951 5.9127 5.9127 5.9922 5.9922 7.5034 7.5034 7.7061 7.7061 8.3268 8.3268 11.2162 11.2162 12.8267 12.8267 13.6510 13.6510 14.7454 14.7454 16.5606 16.5606 16.7906 16.7906 16.9177 16.9177 k = 0.1415 0.5000 0.3723 ( 2976 PWs) bands (ev): -42.4605 -42.4605 -19.1930 -19.1930 -18.6068 -18.6068 -18.3996 -18.3996 5.9205 5.9205 6.0067 6.0067 7.5087 7.5087 7.7017 7.7017 8.3206 8.3206 11.2314 11.2314 12.8339 12.8339 13.6207 13.6207 14.7984 14.7984 16.5603 16.5603 16.8366 16.8366 16.9888 16.9888 k = 0.1509 0.5000 0.3723 ( 2976 PWs) bands (ev): -42.4599 -42.4599 -19.1935 -19.1935 -18.6062 -18.6062 -18.4042 -18.4042 5.9276 5.9276 6.0212 6.0212 7.5148 7.5148 7.6984 7.6984 8.3148 8.3148 11.2479 11.2479 12.8401 12.8401 13.5901 13.5901 14.8544 14.8544 16.5601 16.5601 16.8835 16.8835 17.0665 17.0665 k = 0.1604 0.5000 0.3723 ( 2976 PWs) bands (ev): -42.4592 -42.4592 -19.1941 -19.1941 -18.6056 -18.6056 -18.4091 -18.4091 5.9340 5.9340 6.0354 6.0354 7.5214 7.5214 7.6969 7.6969 8.3096 8.3096 11.2657 11.2657 12.8452 12.8452 13.5593 13.5593 14.9134 14.9134 16.5601 16.5601 16.9325 16.9325 17.1492 17.1492 k = 0.1698 0.5000 0.3723 ( 2992 PWs) bands (ev): -42.4585 -42.4585 -19.1948 -19.1948 -18.6050 -18.6050 -18.4141 -18.4141 5.9398 5.9398 6.0487 6.0487 7.5277 7.5277 7.6985 7.6985 8.3051 8.3051 11.2848 11.2848 12.8491 12.8491 13.5285 13.5285 14.9753 14.9753 16.5604 16.5604 16.9844 16.9844 17.2363 17.2363 k = 0.1792 0.5000 0.3723 ( 2992 PWs) bands (ev): -42.4579 -42.4579 -19.1954 -19.1954 -18.6043 -18.6043 -18.4192 -18.4192 5.9452 5.9452 6.0608 6.0608 7.5325 7.5325 7.7043 7.7043 8.3013 8.3013 11.3054 11.3054 12.8515 12.8515 13.4980 13.4980 15.0398 15.0398 16.5609 16.5609 17.0395 17.0395 17.3272 17.3272 k = 0.1887 0.5000 0.3723 ( 3004 PWs) bands (ev): -42.4571 -42.4571 -19.1962 -19.1962 -18.6037 -18.6037 -18.4245 -18.4245 5.9502 5.9502 6.0714 6.0714 7.5349 7.5349 7.7156 7.7156 8.2983 8.2983 11.3274 11.3274 12.8525 12.8525 13.4680 13.4680 15.1067 15.1067 16.5620 16.5620 17.0981 17.0981 17.4215 17.4215 k = 0.1981 0.5000 0.3723 ( 3008 PWs) bands (ev): -42.4564 -42.4564 -19.1969 -19.1969 -18.6030 -18.6030 -18.4298 -18.4298 5.9548 5.9548 6.0803 6.0803 7.5343 7.5343 7.7331 7.7331 8.2963 8.2963 11.3509 11.3509 12.8518 12.8518 13.4384 13.4384 15.1759 15.1759 16.5637 16.5637 17.1604 17.1604 17.5189 17.5189 k = 0.2075 0.5000 0.3723 ( 3008 PWs) bands (ev): -42.4557 -42.4557 -19.1977 -19.1977 -18.6023 -18.6023 -18.4352 -18.4352 5.9588 5.9588 6.0874 6.0874 7.5306 7.5306 7.7571 7.7571 8.2952 8.2952 11.3760 11.3760 12.8494 12.8494 13.4096 13.4096 15.2470 15.2470 16.5662 16.5662 17.2262 17.2262 17.6191 17.6191 k = 0.2170 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4549 -42.4549 -19.1985 -19.1985 -18.6016 -18.6016 -18.4407 -18.4407 5.9624 5.9624 6.0927 6.0927 7.5242 7.5242 7.7869 7.7869 8.2951 8.2951 11.4028 11.4028 12.8454 12.8454 13.3816 13.3816 15.3197 15.3197 16.5698 16.5698 17.2957 17.2957 17.7210 17.7210 k = 0.2264 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4541 -42.4541 -19.1994 -19.1994 -18.6010 -18.6010 -18.4461 -18.4461 5.9654 5.9654 6.0961 6.0961 7.5158 7.5158 7.8219 7.8219 8.2960 8.2960 11.4313 11.4313 12.8397 12.8397 13.3546 13.3546 15.3935 15.3935 16.5746 16.5746 17.3685 17.3685 17.7601 17.7601 k = 0.2358 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4534 -42.4534 -19.2003 -19.2003 -18.6003 -18.6003 -18.4516 -18.4516 5.9677 5.9677 6.0979 6.0979 7.5059 7.5059 7.8613 7.8613 8.2981 8.2981 11.4615 11.4615 12.8324 12.8324 13.3285 13.3285 15.4681 15.4681 16.5811 16.5811 17.4441 17.4441 17.7210 17.7210 k = 0.2453 0.5000 0.3723 ( 2996 PWs) bands (ev): -42.4526 -42.4526 -19.2013 -19.2013 -18.5997 -18.5997 -18.4571 -18.4571 5.9692 5.9692 6.0983 6.0983 7.4949 7.4949 7.9043 7.9043 8.3014 8.3014 11.4936 11.4936 12.8236 12.8236 13.3036 13.3036 15.5429 15.5429 16.5896 16.5896 17.5200 17.5200 17.6817 17.6817 k = 0.2547 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4518 -42.4518 -19.2022 -19.2022 -18.5990 -18.5990 -18.4625 -18.4625 5.9699 5.9699 6.0973 6.0973 7.4831 7.4831 7.9502 7.9502 8.3063 8.3063 11.5275 11.5275 12.8134 12.8134 13.2797 13.2797 15.6170 15.6170 16.6006 16.6006 17.5765 17.5765 17.6629 17.6629 k = 0.2642 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4510 -42.4510 -19.2032 -19.2032 -18.5984 -18.5984 -18.4678 -18.4678 5.9696 5.9696 6.0954 6.0954 7.4709 7.4709 7.9979 7.9979 8.3131 8.3131 11.5634 11.5634 12.8020 12.8020 13.2570 13.2570 15.6898 15.6898 16.6148 16.6148 17.5592 17.5592 17.7187 17.7187 k = 0.2736 0.5000 0.3723 ( 3004 PWs) bands (ev): -42.4503 -42.4503 -19.2042 -19.2042 -18.5979 -18.5979 -18.4730 -18.4730 5.9683 5.9683 6.0928 6.0928 7.4584 7.4584 8.0463 8.0463 8.3223 8.3223 11.6013 11.6013 12.7896 12.7896 13.2354 13.2354 15.7603 15.7603 16.6330 16.6330 17.5127 17.5127 17.8045 17.8045 k = 0.2830 0.5000 0.3723 ( 3004 PWs) bands (ev): -42.4495 -42.4495 -19.2053 -19.2053 -18.5973 -18.5973 -18.4782 -18.4782 5.9657 5.9657 6.0898 6.0898 7.4459 7.4459 8.0938 8.0938 8.3350 8.3350 11.6411 11.6411 12.7765 12.7765 13.2149 13.2149 15.8275 15.8275 16.6558 16.6558 17.4596 17.4596 17.8976 17.8976 k = 0.2925 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4488 -42.4488 -19.2063 -19.2063 -18.5968 -18.5968 -18.4831 -18.4831 5.9619 5.9619 6.0866 6.0866 7.4334 7.4334 8.1382 8.1382 8.3528 8.3528 11.6830 11.6830 12.7628 12.7628 13.1955 13.1955 15.8901 15.8901 16.6843 16.6843 17.4026 17.4026 17.9948 17.9948 k = 0.3019 0.5000 0.3723 ( 2996 PWs) bands (ev): -42.4480 -42.4480 -19.2074 -19.2074 -18.5964 -18.5964 -18.4880 -18.4880 5.9569 5.9569 6.0835 6.0835 7.4211 7.4211 8.1772 8.1772 8.3775 8.3775 11.7267 11.7267 12.7491 12.7491 13.1771 13.1771 15.9472 15.9472 16.7191 16.7191 17.3422 17.3422 18.0954 18.0954 k = 0.3113 0.5000 0.3723 ( 3004 PWs) bands (ev): -42.4473 -42.4473 -19.2085 -19.2085 -18.5959 -18.5959 -18.4927 -18.4927 5.9507 5.9507 6.0805 6.0805 7.4092 7.4092 8.2087 8.2087 8.4105 8.4105 11.7723 11.7723 12.7355 12.7355 13.1598 13.1598 15.9979 15.9979 16.7608 16.7608 17.2787 17.2787 18.1989 18.1989 k = 0.3208 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4466 -42.4466 -19.2096 -19.2096 -18.5956 -18.5956 -18.4972 -18.4972 5.9435 5.9435 6.0778 6.0778 7.3976 7.3976 8.2326 8.2326 8.4515 8.4515 11.8196 11.8196 12.7224 12.7224 13.1436 13.1436 16.0417 16.0417 16.8093 16.8093 17.2122 17.2122 18.3051 18.3051 k = 0.3302 0.5000 0.3723 ( 3004 PWs) bands (ev): -42.4459 -42.4459 -19.2106 -19.2106 -18.5953 -18.5953 -18.5015 -18.5015 5.9353 5.9353 6.0754 6.0754 7.3864 7.3864 8.2505 8.2505 8.4984 8.4984 11.8684 11.8684 12.7102 12.7102 13.1283 13.1283 16.0787 16.0787 16.8640 16.8640 17.1432 17.1432 18.4135 18.4135 k = 0.3396 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4452 -42.4452 -19.2117 -19.2117 -18.5950 -18.5950 -18.5055 -18.5055 5.9264 5.9264 6.0732 6.0732 7.3758 7.3758 8.2640 8.2640 8.5488 8.5488 11.9182 11.9182 12.6994 12.6994 13.1142 13.1142 16.1092 16.1092 16.9225 16.9225 17.0731 17.0731 18.5240 18.5240 k = 0.3491 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4446 -42.4446 -19.2128 -19.2128 -18.5948 -18.5948 -18.5094 -18.5094 5.9170 5.9170 6.0713 6.0713 7.3657 7.3657 8.2748 8.2748 8.6009 8.6009 11.9685 11.9685 12.6906 12.6906 13.1011 13.1011 16.1340 16.1340 16.9623 16.9623 17.0236 17.0236 18.6361 18.6361 k = 0.3585 0.5000 0.3723 ( 3000 PWs) bands (ev): -42.4439 -42.4439 -19.2138 -19.2138 -18.5947 -18.5947 -18.5130 -18.5130 5.9072 5.9072 6.0696 6.0696 7.3561 7.3561 8.2838 8.2838 8.6532 8.6532 12.0187 12.0187 12.6842 12.6842 13.0892 13.0892 16.1539 16.1539 16.9058 16.9058 17.0712 17.0712 18.7493 18.7493 k = 0.3679 0.5000 0.3723 ( 3016 PWs) bands (ev): -42.4433 -42.4433 -19.2148 -19.2148 -18.5946 -18.5946 -18.5163 -18.5163 5.8973 5.8973 6.0680 6.0680 7.3472 7.3472 8.2914 8.2914 8.7047 8.7047 12.0678 12.0678 12.6810 12.6810 13.0785 13.0785 16.1696 16.1696 16.8274 16.8274 17.1405 17.1405 18.8633 18.8633 k = 0.3774 0.5000 0.3723 ( 3016 PWs) bands (ev): -42.4428 -42.4428 -19.2157 -19.2157 -18.5946 -18.5946 -18.5194 -18.5194 5.8875 5.8875 6.0666 6.0666 7.3389 7.3389 8.2981 8.2981 8.7546 8.7546 12.1148 12.1148 12.6819 12.6819 13.0693 13.0693 16.1821 16.1821 16.7453 16.7453 17.2124 17.2124 18.9773 18.9773 k = 0.3868 0.5000 0.3723 ( 3016 PWs) bands (ev): -42.4423 -42.4423 -19.2167 -19.2167 -18.5946 -18.5946 -18.5223 -18.5223 5.8779 5.8779 6.0652 6.0652 7.3313 7.3313 8.3041 8.3041 8.8024 8.8024 12.1583 12.1583 12.6875 12.6875 13.0617 13.0617 16.1919 16.1919 16.6612 16.6612 17.2845 17.2845 19.0906 19.0906 k = 0.3962 0.5000 0.3723 ( 3016 PWs) bands (ev): -42.4418 -42.4418 -19.2175 -19.2175 -18.5947 -18.5947 -18.5249 -18.5249 5.8686 5.8686 6.0640 6.0640 7.3242 7.3242 8.3095 8.3095 8.8476 8.8476 12.1970 12.1970 12.6984 12.6984 13.0560 13.0560 16.1996 16.1996 16.5763 16.5763 17.3554 17.3554 19.2022 19.2022 k = 0.4057 0.5000 0.3723 ( 3016 PWs) bands (ev): -42.4413 -42.4413 -19.2184 -19.2184 -18.5949 -18.5949 -18.5272 -18.5272 5.8597 5.8597 6.0628 6.0628 7.3179 7.3179 8.3143 8.3143 8.8898 8.8898 12.2300 12.2300 12.7147 12.7147 13.0526 13.0526 16.2056 16.2056 16.4915 16.4915 17.4239 17.4239 19.3107 19.3107 k = 0.4151 0.5000 0.3723 ( 3012 PWs) bands (ev): -42.4409 -42.4409 -19.2191 -19.2191 -18.5950 -18.5950 -18.5293 -18.5293 5.8514 5.8514 6.0617 6.0617 7.3121 7.3121 8.3187 8.3187 8.9288 8.9288 12.2566 12.2566 12.7357 12.7357 13.0521 13.0521 16.2101 16.2101 16.4079 16.4079 17.4890 17.4890 19.4145 19.4145 k = 0.4245 0.5000 0.3723 ( 3012 PWs) bands (ev): -42.4405 -42.4405 -19.2198 -19.2198 -18.5952 -18.5952 -18.5311 -18.5311 5.8438 5.8438 6.0606 6.0606 7.3070 7.3070 8.3225 8.3225 8.9642 8.9642 12.2770 12.2770 12.7597 12.7597 13.0551 13.0551 16.2134 16.2134 16.3270 16.3270 17.5498 17.5498 19.5115 19.5115 k = 0.4340 0.5000 0.3723 ( 3016 PWs) bands (ev): -42.4402 -42.4402 -19.2205 -19.2205 -18.5954 -18.5954 -18.5327 -18.5327 5.8369 5.8369 6.0597 6.0597 7.3026 7.3026 8.3260 8.3260 8.9959 8.9959 12.2919 12.2919 12.7844 12.7844 13.0621 13.0621 16.2146 16.2146 16.2512 16.2512 17.6055 17.6055 19.5991 19.5991 k = 0.4434 0.5000 0.3723 ( 3012 PWs) bands (ev): -42.4399 -42.4399 -19.2210 -19.2210 -18.5957 -18.5957 -18.5340 -18.5340 5.8308 5.8308 6.0588 6.0588 7.2987 7.2987 8.3289 8.3289 9.0236 9.0236 12.3024 12.3024 12.8073 12.8073 13.0733 13.0733 16.1748 16.1748 16.2210 16.2210 17.6554 17.6554 19.6746 19.6746 k = 0.4528 0.5000 0.3723 ( 3012 PWs) bands (ev): -42.4396 -42.4396 -19.2215 -19.2215 -18.5959 -18.5959 -18.5351 -18.5351 5.8255 5.8255 6.0581 6.0581 7.2955 7.2955 8.3314 8.3314 9.0472 9.0472 12.3095 12.3095 12.8264 12.8264 13.0883 13.0883 16.1108 16.1108 16.2215 16.2215 17.6988 17.6988 19.7359 19.7359 k = 0.4623 0.5000 0.3723 ( 3012 PWs) bands (ev): -42.4394 -42.4394 -19.2219 -19.2219 -18.5960 -18.5960 -18.5360 -18.5360 5.8211 5.8211 6.0575 6.0575 7.2929 7.2929 8.3335 8.3335 9.0667 9.0667 12.3142 12.3142 12.8410 12.8410 13.1055 13.1055 16.0547 16.0547 16.2224 16.2224 17.7351 17.7351 19.7821 19.7821 k = 0.4717 0.5000 0.3723 ( 2988 PWs) bands (ev): -42.4393 -42.4393 -19.2222 -19.2222 -18.5962 -18.5962 -18.5367 -18.5367 5.8177 5.8177 6.0570 6.0570 7.2908 7.2908 8.3351 8.3351 9.0820 9.0820 12.3172 12.3172 12.8513 12.8513 13.1225 13.1225 16.0088 16.0088 16.2232 16.2232 17.7638 17.7638 19.8141 19.8141 k = 0.4811 0.5000 0.3723 ( 2992 PWs) bands (ev): -42.4392 -42.4392 -19.2224 -19.2224 -18.5963 -18.5963 -18.5372 -18.5372 5.8152 5.8152 6.0566 6.0566 7.2894 7.2894 8.3363 8.3363 9.0929 9.0929 12.3189 12.3189 12.8579 12.8579 13.1369 13.1369 15.9748 15.9748 16.2237 16.2237 17.7846 17.7846 19.8342 19.8342 k = 0.4906 0.5000 0.3723 ( 2992 PWs) bands (ev): -42.4391 -42.4391 -19.2226 -19.2226 -18.5964 -18.5964 -18.5375 -18.5375 5.8137 5.8137 6.0564 6.0564 7.2885 7.2885 8.3370 8.3370 9.0995 9.0995 12.3199 12.3199 12.8616 12.8616 13.1464 13.1464 15.9538 15.9538 16.2240 16.2240 17.7972 17.7972 19.8450 19.8450 k = 0.5000 0.5000 0.3723 ( 2992 PWs) bands (ev): -42.4391 -42.4391 -19.2226 -19.2226 -18.5964 -18.5964 -18.5376 -18.5376 5.8132 5.8132 6.0563 6.0563 7.2882 7.2882 8.3372 8.3372 9.1017 9.1017 12.3201 12.3201 12.8628 12.8628 13.1498 13.1498 15.9467 15.9467 16.2241 16.2241 17.8015 17.8015 19.8484 19.8484 k = 0.5000 0.5000 0.3723 ( 2992 PWs) bands (ev): -42.4391 -42.4391 -19.2226 -19.2226 -18.5964 -18.5964 -18.5376 -18.5376 5.8132 5.8132 6.0563 6.0563 7.2882 7.2882 8.3372 8.3372 9.1017 9.1017 12.3201 12.3201 12.8628 12.8628 13.1498 13.1498 15.9467 15.9467 16.2241 16.2241 17.8015 17.8015 19.8484 19.8484 k = 0.4932 0.4932 0.3723 ( 2992 PWs) bands (ev): -42.4391 -42.4391 -19.2226 -19.2226 -18.5964 -18.5964 -18.5375 -18.5375 5.8137 5.8137 6.0564 6.0564 7.2885 7.2885 8.3370 8.3370 9.0994 9.0994 12.3198 12.3198 12.8615 12.8615 13.1464 13.1464 15.9540 15.9540 16.2240 16.2240 17.7971 17.7971 19.8450 19.8450 k = 0.4865 0.4865 0.3723 ( 2992 PWs) bands (ev): -42.4392 -42.4392 -19.2224 -19.2224 -18.5963 -18.5963 -18.5372 -18.5372 5.8153 5.8153 6.0566 6.0566 7.2894 7.2894 8.3362 8.3362 9.0927 9.0927 12.3187 12.3187 12.8572 12.8572 13.1373 13.1373 15.9755 15.9755 16.2237 16.2237 17.7842 17.7842 19.8345 19.8345 k = 0.4797 0.4797 0.3723 ( 2986 PWs) bands (ev): -42.4393 -42.4393 -19.2222 -19.2222 -18.5962 -18.5962 -18.5367 -18.5367 5.8178 5.8178 6.0570 6.0570 7.2909 7.2909 8.3351 8.3351 9.0816 9.0816 12.3161 12.3161 12.8480 12.8480 13.1257 13.1257 16.0105 16.0105 16.2232 16.2232 17.7631 17.7631 19.8166 19.8166 k = 0.4730 0.4730 0.3723 ( 2998 PWs) bands (ev): -42.4394 -42.4394 -19.2219 -19.2219 -18.5960 -18.5960 -18.5360 -18.5360 5.8214 5.8214 6.0575 6.0575 7.2930 7.2930 8.3334 8.3334 9.0662 9.0662 12.3109 12.3109 12.8316 12.8316 13.1160 13.1160 16.0577 16.0577 16.2225 16.2225 17.7340 17.7340 19.7903 19.7903 k = 0.4662 0.4662 0.3723 ( 2998 PWs) bands (ev): -42.4397 -42.4397 -19.2215 -19.2215 -18.5958 -18.5958 -18.5351 -18.5351 5.8259 5.8259 6.0582 6.0582 7.2957 7.2957 8.3313 8.3313 9.0468 9.0468 12.3010 12.3010 12.8068 12.8068 13.1126 13.1126 16.1155 16.1155 16.2217 16.2217 17.6976 17.6976 19.7550 19.7550 k = 0.4595 0.4595 0.3723 ( 3006 PWs) bands (ev): -42.4399 -42.4399 -19.2210 -19.2210 -18.5955 -18.5955 -18.5340 -18.5340 5.8314 5.8314 6.0590 6.0590 7.2990 7.2990 8.3287 8.3287 9.0234 9.0234 12.2837 12.2837 12.7753 12.7753 13.1179 13.1179 16.1813 16.1813 16.2217 16.2217 17.6544 17.6544 19.7104 19.7104 k = 0.4527 0.4527 0.3723 ( 3010 PWs) bands (ev): -42.4402 -42.4402 -19.2204 -19.2204 -18.5952 -18.5952 -18.5328 -18.5328 5.8378 5.8378 6.0600 6.0600 7.3030 7.3030 8.3257 8.3257 8.9964 8.9964 12.2554 12.2554 12.7416 12.7416 13.1321 13.1321 16.2155 16.2155 16.2606 16.2606 17.6051 17.6051 19.6565 19.6565 k = 0.4459 0.4459 0.3723 ( 3010 PWs) bands (ev): -42.4406 -42.4406 -19.2197 -19.2197 -18.5948 -18.5948 -18.5313 -18.5313 5.8450 5.8450 6.0612 6.0612 7.3077 7.3077 8.3222 8.3222 8.9661 8.9661 12.2126 12.2126 12.7115 12.7115 13.1540 13.1540 16.2146 16.2146 16.3400 16.3400 17.5504 17.5504 19.5936 19.5936 k = 0.4392 0.4392 0.3723 ( 3010 PWs) bands (ev): -42.4410 -42.4410 -19.2189 -19.2189 -18.5944 -18.5944 -18.5296 -18.5296 5.8532 5.8532 6.0625 6.0625 7.3130 7.3130 8.3183 8.3183 8.9327 8.9327 12.1533 12.1533 12.6892 12.6892 13.1824 13.1824 16.2122 16.2122 16.4250 16.4250 17.4910 17.4910 19.5216 19.5216 k = 0.4324 0.4324 0.3723 ( 3010 PWs) bands (ev): -42.4414 -42.4414 -19.2181 -19.2181 -18.5939 -18.5939 -18.5278 -18.5278 5.8621 5.8621 6.0639 6.0639 7.3190 7.3190 8.3139 8.3139 8.8965 8.8965 12.0777 12.0777 12.6763 12.6763 13.2162 13.2162 16.2090 16.2090 16.5131 16.5131 17.4274 17.4274 19.4393 19.4393 k = 0.4257 0.4257 0.3723 ( 3006 PWs) bands (ev): -42.4419 -42.4419 -19.2172 -19.2172 -18.5933 -18.5933 -18.5258 -18.5258 5.8718 5.8718 6.0655 6.0655 7.3257 7.3257 8.3091 8.3091 8.8578 8.8578 11.9881 11.9881 12.6718 12.6718 13.2547 13.2547 16.2051 16.2051 16.6029 16.6029 17.3602 17.3602 19.3442 19.3442 k = 0.4189 0.4189 0.3723 ( 3006 PWs) bands (ev): -42.4424 -42.4424 -19.2162 -19.2162 -18.5928 -18.5928 -18.5236 -18.5236 5.8822 5.8822 6.0672 6.0672 7.3332 7.3332 8.3039 8.3039 8.8170 8.8170 11.8874 11.8874 12.6740 12.6740 13.2972 13.2972 16.2005 16.2005 16.6930 16.6930 17.2900 17.2900 19.2332 19.2332 k = 0.4122 0.4122 0.3723 ( 3006 PWs) bands (ev): -42.4430 -42.4430 -19.2151 -19.2151 -18.5921 -18.5921 -18.5212 -18.5212 5.8933 5.8933 6.0691 6.0691 7.3414 7.3414 8.2982 8.2982 8.7744 8.7744 11.7783 11.7783 12.6810 12.6810 13.3431 13.3431 16.1950 16.1950 16.7819 16.7819 17.2173 17.2173 19.1067 19.1067 k = 0.4054 0.4054 0.3723 ( 3006 PWs) bands (ev): -42.4436 -42.4436 -19.2139 -19.2139 -18.5914 -18.5914 -18.5187 -18.5187 5.9049 5.9049 6.0712 6.0712 7.3504 7.3504 8.2920 8.2920 8.7302 8.7302 11.6629 11.6629 12.6913 12.6913 13.3921 13.3921 16.1886 16.1886 16.8683 16.8683 17.1428 17.1428 18.9691 18.9691 k = 0.3986 0.3986 0.3723 ( 3002 PWs) bands (ev): -42.4442 -42.4442 -19.2127 -19.2127 -18.5907 -18.5907 -18.5160 -18.5160 5.9169 5.9169 6.0734 6.0734 7.3602 7.3602 8.2853 8.2853 8.6848 8.6848 11.5429 11.5429 12.7039 12.7039 13.4437 13.4437 16.1812 16.1812 16.9498 16.9498 17.0676 17.0676 18.8256 18.8256 k = 0.3919 0.3919 0.3723 ( 3006 PWs) bands (ev): -42.4449 -42.4449 -19.2115 -19.2115 -18.5899 -18.5899 -18.5131 -18.5131 5.9294 5.9294 6.0758 6.0758 7.3708 7.3708 8.2781 8.2781 8.6386 8.6386 11.4195 11.4195 12.7177 12.7177 13.4976 13.4976 16.1727 16.1727 16.9802 16.9802 17.0369 17.0369 18.6801 18.6801 k = 0.3851 0.3851 0.3723 ( 3002 PWs) bands (ev): -42.4456 -42.4456 -19.2101 -19.2101 -18.5890 -18.5890 -18.5100 -18.5100 5.9423 5.9423 6.0783 6.0783 7.3823 7.3823 8.2702 8.2702 8.5918 8.5918 11.2937 11.2937 12.7320 12.7320 13.5535 13.5535 16.1630 16.1630 16.9056 16.9056 17.1033 17.1033 18.5352 18.5352 k = 0.3784 0.3784 0.3723 ( 3006 PWs) bands (ev): -42.4464 -42.4464 -19.2087 -19.2087 -18.5881 -18.5881 -18.5068 -18.5068 5.9554 5.9554 6.0809 6.0809 7.3946 7.3946 8.2615 8.2615 8.5449 8.5449 11.1662 11.1662 12.7462 12.7462 13.6110 13.6110 16.1520 16.1520 16.8261 16.8261 17.1656 17.1656 18.3926 18.3926 k = 0.3716 0.3716 0.3723 ( 3006 PWs) bands (ev): -42.4472 -42.4472 -19.2073 -19.2073 -18.5872 -18.5872 -18.5035 -18.5035 5.9686 5.9686 6.0837 6.0837 7.4079 7.4079 8.2519 8.2519 8.4982 8.4982 11.0379 11.0379 12.7598 12.7598 13.6700 13.6700 16.1396 16.1396 16.7455 16.7455 17.2189 17.2189 18.2535 18.2535 k = 0.3649 0.3649 0.3723 ( 2998 PWs) bands (ev): -42.4480 -42.4480 -19.2058 -19.2058 -18.5862 -18.5862 -18.5000 -18.5000 5.9819 5.9819 6.0866 6.0866 7.4220 7.4220 8.2409 8.2409 8.4525 8.4525 10.9092 10.9092 12.7722 12.7722 13.7301 13.7301 16.1259 16.1259 16.6644 16.6644 17.2616 17.2616 18.1188 18.1188 k = 0.3581 0.3581 0.3723 ( 3002 PWs) bands (ev): -42.4489 -42.4489 -19.2043 -19.2043 -18.5851 -18.5851 -18.4964 -18.4964 5.9951 5.9951 6.0897 6.0897 7.4370 7.4370 8.2281 8.2281 8.4084 8.4084 10.7806 10.7806 12.7830 12.7830 13.7911 13.7911 16.1107 16.1107 16.5830 16.5830 17.2930 17.2930 17.9892 17.9892 k = 0.3514 0.3514 0.3723 ( 3002 PWs) bands (ev): -42.4498 -42.4498 -19.2027 -19.2027 -18.5840 -18.5840 -18.4926 -18.4926 6.0082 6.0082 6.0929 6.0929 7.4529 7.4529 8.2124 8.2124 8.3670 8.3670 10.6525 10.6525 12.7915 12.7915 13.8529 13.8529 16.0941 16.0941 16.5015 16.5015 17.3129 17.3129 17.8654 17.8654 k = 0.3446 0.3446 0.3723 ( 3006 PWs) bands (ev): -42.4507 -42.4507 -19.2011 -19.2011 -18.5828 -18.5828 -18.4887 -18.4887 6.0211 6.0211 6.0962 6.0962 7.4697 7.4697 8.1926 8.1926 8.3297 8.3297 10.5254 10.5254 12.7974 12.7974 13.9151 13.9151 16.0761 16.0761 16.4200 16.4200 17.3213 17.3213 17.7480 17.7480 k = 0.3378 0.3378 0.3723 ( 3006 PWs) bands (ev): -42.4516 -42.4516 -19.1995 -19.1995 -18.5816 -18.5816 -18.4847 -18.4847 6.0336 6.0336 6.0997 6.0997 7.4875 7.4875 8.1676 8.1676 8.2980 8.2980 10.3996 10.3996 12.8000 12.8000 13.9776 13.9776 16.0568 16.0568 16.3388 16.3388 17.3191 17.3191 17.6374 17.6374 k = 0.3311 0.3311 0.3723 ( 3004 PWs) bands (ev): -42.4526 -42.4526 -19.1979 -19.1979 -18.5803 -18.5803 -18.4806 -18.4806 6.0456 6.0456 6.1032 6.1032 7.5061 7.5061 8.1369 8.1369 8.2723 8.2723 10.2755 10.2755 12.7991 12.7991 14.0403 14.0403 16.0365 16.0365 16.2579 16.2579 17.3068 17.3068 17.5343 17.5343 k = 0.3243 0.3243 0.3723 ( 3004 PWs) bands (ev): -42.4536 -42.4536 -19.1962 -19.1962 -18.5790 -18.5790 -18.4764 -18.4764 6.0571 6.0571 6.1068 6.1068 7.5256 7.5256 8.1018 8.1018 8.2516 8.2516 10.1533 10.1533 12.7939 12.7939 14.1030 14.1030 16.0153 16.0153 16.1774 16.1774 17.2850 17.2850 17.4397 17.4397 k = 0.3176 0.3176 0.3723 ( 3004 PWs) bands (ev): -42.4546 -42.4546 -19.1945 -19.1945 -18.5776 -18.5776 -18.4720 -18.4720 6.0678 6.0678 6.1105 6.1105 7.5459 7.5459 8.0639 8.0639 8.2342 8.2342 10.0336 10.0336 12.7843 12.7843 14.1655 14.1655 15.9935 15.9935 16.0975 16.0975 17.2530 17.2530 17.3557 17.3557 k = 0.3108 0.3108 0.3723 ( 3000 PWs) bands (ev): -42.4556 -42.4556 -19.1928 -19.1928 -18.5762 -18.5762 -18.4676 -18.4676 6.0778 6.0778 6.1142 6.1142 7.5671 7.5671 8.0247 8.0247 8.2186 8.2186 9.9165 9.9165 12.7696 12.7696 14.2278 14.2278 15.9713 15.9713 16.0185 16.0185 17.2081 17.2081 17.2860 17.2860 k = 0.3041 0.3041 0.3723 ( 3004 PWs) bands (ev): -42.4567 -42.4567 -19.1911 -19.1911 -18.5747 -18.5747 -18.4631 -18.4631 6.0868 6.0868 6.1180 6.1180 7.5890 7.5890 7.9853 7.9853 8.2040 8.2040 9.8026 9.8026 12.7496 12.7496 14.2896 14.2896 15.9370 15.9370 15.9525 15.9525 17.1505 17.1505 17.2316 17.2316 k = 0.2973 0.2973 0.3723 ( 3004 PWs) bands (ev): -42.4577 -42.4577 -19.1894 -19.1894 -18.5731 -18.5731 -18.4585 -18.4585 6.0949 6.0949 6.1217 6.1217 7.6117 7.6117 7.9463 7.9463 8.1897 8.1897 9.6920 9.6920 12.7241 12.7241 14.3509 14.3509 15.8609 15.8609 15.9298 15.9298 17.0884 17.0884 17.1849 17.1849 k = 0.2905 0.2905 0.3723 ( 3000 PWs) bands (ev): -42.4588 -42.4588 -19.1877 -19.1877 -18.5716 -18.5716 -18.4539 -18.4539 6.1018 6.1018 6.1254 6.1254 7.6349 7.6349 7.9081 7.9081 8.1753 8.1753 9.5853 9.5853 12.6927 12.6927 14.4116 14.4116 15.7840 15.7840 15.9098 15.9098 17.0282 17.0282 17.1401 17.1401 k = 0.2838 0.2838 0.3723 ( 3000 PWs) bands (ev): -42.4599 -42.4599 -19.1860 -19.1860 -18.5700 -18.5700 -18.4492 -18.4492 6.1076 6.1076 6.1290 6.1290 7.6587 7.6587 7.8709 7.8709 8.1604 8.1604 9.4828 9.4828 12.6555 12.6555 14.4716 14.4716 15.7078 15.7078 15.8913 15.8913 16.9722 16.9722 17.0951 17.0951 k = 0.2770 0.2770 0.3723 ( 2990 PWs) bands (ev): -42.4610 -42.4610 -19.1843 -19.1843 -18.5683 -18.5683 -18.4444 -18.4444 6.1120 6.1120 6.1324 6.1324 7.6828 7.6828 7.8350 7.8350 8.1450 8.1450 9.3850 9.3850 12.6124 12.6124 14.5307 14.5307 15.6326 15.6326 15.8745 15.8745 16.9210 16.9210 17.0495 17.0495 k = 0.2703 0.2703 0.3723 ( 2990 PWs) bands (ev): -42.4621 -42.4621 -19.1827 -19.1827 -18.5666 -18.5666 -18.4396 -18.4396 6.1151 6.1151 6.1357 6.1357 7.7071 7.7071 7.8004 7.8004 8.1288 8.1288 9.2922 9.2922 12.5636 12.5636 14.5890 14.5890 15.5584 15.5584 15.8597 15.8597 16.8746 16.8746 17.0034 17.0034 k = 0.2635 0.2635 0.3723 ( 2990 PWs) bands (ev): -42.4632 -42.4632 -19.1810 -19.1810 -18.5648 -18.5648 -18.4347 -18.4347 6.1168 6.1168 6.1387 6.1387 7.7308 7.7308 7.7676 7.7676 8.1120 8.1120 9.2050 9.2050 12.5091 12.5091 14.6463 14.6463 15.4852 15.4852 15.8468 15.8468 16.8330 16.8330 16.9570 16.9570 k = 0.2568 0.2568 0.3723 ( 2990 PWs) bands (ev): -42.4643 -42.4643 -19.1794 -19.1794 -18.5631 -18.5631 -18.4299 -18.4299 6.1170 6.1170 6.1415 6.1415 7.7328 7.7328 7.7574 7.7574 8.0947 8.0947 9.1238 9.1238 12.4494 12.4494 14.7026 14.7026 15.4132 15.4132 15.8357 15.8357 16.7959 16.7959 16.9106 16.9106 k = 0.2500 0.2500 0.3723 ( 2990 PWs) bands (ev): -42.4655 -42.4655 -19.1778 -19.1778 -18.5612 -18.5612 -18.4250 -18.4250 6.1157 6.1157 6.1438 6.1438 7.7028 7.7028 7.7792 7.7792 8.0774 8.0774 9.0488 9.0488 12.3847 12.3847 14.7577 14.7577 15.3423 15.3423 15.8263 15.8263 16.7630 16.7630 16.8643 16.8643 k = 0.2432 0.2432 0.3723 ( 2994 PWs) bands (ev): -42.4666 -42.4666 -19.1762 -19.1762 -18.5594 -18.5594 -18.4201 -18.4201 6.1129 6.1129 6.1456 6.1456 7.6728 7.6728 7.8001 7.8001 8.0611 8.0611 8.9804 8.9804 12.3155 12.3155 14.8118 14.8118 15.2726 15.2726 15.8183 15.8183 16.7341 16.7341 16.8186 16.8186 k = 0.2365 0.2365 0.3723 ( 2994 PWs) bands (ev): -42.4677 -42.4677 -19.1747 -19.1747 -18.5575 -18.5575 -18.4152 -18.4152 6.1087 6.1087 6.1468 6.1468 7.6434 7.6434 7.8180 7.8180 8.0472 8.0472 8.9188 8.9188 12.2421 12.2421 14.8646 14.8646 15.2041 15.2041 15.8113 15.8113 16.7087 16.7087 16.7742 16.7742 k = 0.2297 0.2297 0.3723 ( 2994 PWs) bands (ev): -42.4688 -42.4688 -19.1732 -19.1732 -18.5556 -18.5556 -18.4103 -18.4103 6.1031 6.1031 6.1473 6.1473 7.6144 7.6144 7.8309 7.8309 8.0379 8.0379 8.8639 8.8639 12.1652 12.1652 14.9161 14.9161 15.1370 15.1370 15.8049 15.8049 16.6849 16.6849 16.7326 16.7326 k = 0.2230 0.2230 0.3723 ( 2990 PWs) bands (ev): -42.4699 -42.4699 -19.1717 -19.1717 -18.5537 -18.5537 -18.4054 -18.4054 6.0960 6.0960 6.1470 6.1470 7.5853 7.5853 7.8371 7.8371 8.0356 8.0356 8.8156 8.8156 12.0851 12.0851 14.9660 14.9660 15.0715 15.0715 15.7986 15.7986 16.6577 16.6577 16.6992 16.6992 k = 0.2162 0.2162 0.3723 ( 2984 PWs) bands (ev): -42.4710 -42.4710 -19.1703 -19.1703 -18.5518 -18.5518 -18.4005 -18.4005 6.0877 6.0877 6.1456 6.1456 7.5560 7.5560 7.8360 7.8360 8.0415 8.0415 8.7736 8.7736 12.0023 12.0023 15.0010 15.0010 15.0209 15.0209 15.7920 15.7920 16.6220 16.6220 16.6793 16.6793 k = 0.2095 0.2095 0.3723 ( 2986 PWs) bands (ev): -42.4721 -42.4721 -19.1689 -19.1689 -18.5498 -18.5498 -18.3957 -18.3957 6.0782 6.0782 6.1431 6.1431 7.5262 7.5262 7.8291 7.8291 8.0549 8.0549 8.7375 8.7375 11.9173 11.9173 14.9425 14.9425 15.0640 15.0640 15.7847 15.7847 16.5814 16.5814 16.6689 16.6689 k = 0.2027 0.2027 0.3723 ( 2990 PWs) bands (ev): -42.4732 -42.4732 -19.1676 -19.1676 -18.5478 -18.5478 -18.3909 -18.3909 6.0675 6.0675 6.1393 6.1393 7.4958 7.4958 7.8188 7.8188 8.0737 8.0737 8.7068 8.7068 11.8305 11.8305 14.8811 14.8811 15.1098 15.1098 15.7764 15.7764 16.5397 16.5397 16.6644 16.6644 k = 0.1959 0.1959 0.3723 ( 2990 PWs) bands (ev): -42.4743 -42.4743 -19.1663 -19.1663 -18.5459 -18.5459 -18.3862 -18.3862 6.0558 6.0558 6.1342 6.1342 7.4649 7.4649 7.8075 7.8075 8.0963 8.0963 8.6809 8.6809 11.7424 11.7424 14.8210 14.8210 15.1544 15.1544 15.7669 15.7669 16.4981 16.4981 16.6645 16.6645 k = 0.1892 0.1892 0.3723 ( 2994 PWs) bands (ev): -42.4753 -42.4753 -19.1650 -19.1650 -18.5439 -18.5439 -18.3815 -18.3815 6.0432 6.0432 6.1274 6.1274 7.4337 7.4337 7.7969 7.7969 8.1211 8.1211 8.6593 8.6593 11.6533 11.6533 14.7623 14.7623 15.1976 15.1976 15.7561 15.7561 16.4571 16.4571 16.6685 16.6685 k = 0.1824 0.1824 0.3723 ( 2990 PWs) bands (ev): -42.4764 -42.4764 -19.1638 -19.1638 -18.5420 -18.5420 -18.3769 -18.3769 6.0299 6.0299 6.1190 6.1190 7.4026 7.4026 7.7878 7.7878 8.1474 8.1474 8.6414 8.6414 11.5637 11.5637 14.7052 14.7052 15.2392 15.2392 15.7439 15.7439 16.4169 16.4169 16.6760 16.6760 k = 0.1757 0.1757 0.3723 ( 2990 PWs) bands (ev): -42.4774 -42.4774 -19.1627 -19.1627 -18.5400 -18.5400 -18.3724 -18.3724 6.0159 6.0159 6.1089 6.1089 7.3720 7.3720 7.7809 7.7809 8.1745 8.1745 8.6267 8.6267 11.4738 11.4738 14.6497 14.6497 15.2791 15.2791 15.7304 15.7304 16.3775 16.3775 16.6866 16.6866 k = 0.1689 0.1689 0.3723 ( 2990 PWs) bands (ev): -42.4784 -42.4784 -19.1616 -19.1616 -18.5381 -18.5381 -18.3680 -18.3680 6.0014 6.0014 6.0970 6.0970 7.3425 7.3425 7.7762 7.7762 8.2020 8.2020 8.6149 8.6149 11.3840 11.3840 14.5958 14.5958 15.3173 15.3173 15.7158 15.7158 16.3392 16.3392 16.6998 16.6998 k = 0.1622 0.1622 0.3723 ( 2978 PWs) bands (ev): -42.4793 -42.4793 -19.1605 -19.1605 -18.5362 -18.5362 -18.3636 -18.3636 5.9865 5.9865 6.0833 6.0833 7.3145 7.3145 7.7738 7.7738 8.2297 8.2297 8.6055 8.6055 11.2946 11.2946 14.5436 14.5436 15.3537 15.3537 15.7004 15.7004 16.3020 16.3020 16.7153 16.7153 k = 0.1554 0.1554 0.3723 ( 2974 PWs) bands (ev): -42.4803 -42.4803 -19.1595 -19.1595 -18.5343 -18.5343 -18.3594 -18.3594 5.9713 5.9713 6.0677 6.0677 7.2885 7.2885 7.7735 7.7735 8.2574 8.2574 8.5982 8.5982 11.2058 11.2058 14.4932 14.4932 15.3880 15.3880 15.6844 15.6844 16.2658 16.2658 16.7327 16.7327 k = 0.1486 0.1486 0.3723 ( 2974 PWs) bands (ev): -42.4812 -42.4812 -19.1585 -19.1585 -18.5324 -18.5324 -18.3553 -18.3553 5.9559 5.9559 6.0505 6.0505 7.2647 7.2647 7.7752 7.7752 8.2848 8.2848 8.5928 8.5928 11.1180 11.1180 14.4444 14.4444 15.4200 15.4200 15.6684 15.6684 16.2309 16.2309 16.7515 16.7515 k = 0.1419 0.1419 0.3723 ( 2976 PWs) bands (ev): -42.4821 -42.4821 -19.1576 -19.1576 -18.5306 -18.5306 -18.3513 -18.3513 5.9406 5.9406 6.0317 6.0317 7.2433 7.2433 7.7786 7.7786 8.3120 8.3120 8.5889 8.5889 11.0314 11.0314 14.3975 14.3975 15.4490 15.4490 15.6532 15.6532 16.1972 16.1972 16.7714 16.7714 k = 0.1351 0.1351 0.3723 ( 2972 PWs) bands (ev): -42.4830 -42.4830 -19.1568 -19.1568 -18.5288 -18.5288 -18.3474 -18.3474 5.9253 5.9253 6.0115 6.0115 7.2245 7.2245 7.7837 7.7837 8.3387 8.3387 8.5864 8.5864 10.9462 10.9462 14.3524 14.3524 15.4742 15.4742 15.6398 15.6398 16.1648 16.1648 16.7920 16.7920 k = 0.1284 0.1284 0.3723 ( 2972 PWs) bands (ev): -42.4838 -42.4838 -19.1560 -19.1560 -18.5271 -18.5271 -18.3437 -18.3437 5.9101 5.9101 5.9902 5.9902 7.2081 7.2081 7.7901 7.7901 8.3648 8.3648 8.5851 8.5851 10.8627 10.8627 14.3092 14.3092 15.4936 15.4936 15.6304 15.6304 16.1337 16.1337 16.8131 16.8131 k = 0.1216 0.1216 0.3723 ( 2968 PWs) bands (ev): -42.4846 -42.4846 -19.1552 -19.1552 -18.5254 -18.5254 -18.3401 -18.3401 5.8953 5.8953 5.9680 5.9680 7.1942 7.1942 7.7977 7.7977 8.3904 8.3904 8.5848 8.5848 10.7810 10.7810 14.2679 14.2679 15.5047 15.5047 15.6276 15.6276 16.1040 16.1040 16.8344 16.8344 k = 0.1149 0.1149 0.3723 ( 2968 PWs) bands (ev): -42.4853 -42.4853 -19.1545 -19.1545 -18.5238 -18.5238 -18.3367 -18.3367 5.8807 5.8807 5.9451 5.9451 7.1826 7.1826 7.8063 7.8063 8.4153 8.4153 8.5855 8.5855 10.7015 10.7015 14.2285 14.2285 15.5061 15.5061 15.6330 15.6330 16.0758 16.0758 16.8555 16.8555 k = 0.1081 0.1081 0.3723 ( 2972 PWs) bands (ev): -42.4861 -42.4861 -19.1538 -19.1538 -18.5223 -18.5223 -18.3334 -18.3334 5.8666 5.8666 5.9219 5.9219 7.1731 7.1731 7.8158 7.8158 8.4394 8.4394 8.5869 8.5869 10.6242 10.6242 14.1912 14.1912 15.4995 15.4995 15.6451 15.6451 16.0491 16.0491 16.8764 16.8764 k = 0.1014 0.1014 0.3723 ( 2960 PWs) bands (ev): -42.4868 -42.4868 -19.1532 -19.1532 -18.5208 -18.5208 -18.3303 -18.3303 5.8530 5.8530 5.8987 5.8987 7.1655 7.1655 7.8259 7.8259 8.4626 8.4626 8.5890 8.5890 10.5495 10.5495 14.1559 14.1559 15.4881 15.4881 15.6608 15.6608 16.0239 16.0239 16.8967 16.8967 k = 0.0946 0.0946 0.3723 ( 2960 PWs) bands (ev): -42.4874 -42.4874 -19.1526 -19.1526 -18.5193 -18.5193 -18.3273 -18.3273 5.8399 5.8399 5.8758 5.8758 7.1597 7.1597 7.8365 7.8365 8.4850 8.4850 8.5917 8.5917 10.4775 10.4775 14.1226 14.1226 15.4744 15.4744 15.6777 15.6777 16.0004 16.0004 16.9163 16.9163 k = 0.0878 0.0878 0.3723 ( 2968 PWs) bands (ev): -42.4880 -42.4880 -19.1521 -19.1521 -18.5180 -18.5180 -18.3245 -18.3245 5.8273 5.8273 5.8535 5.8535 7.1553 7.1553 7.8474 7.8474 8.5063 8.5063 8.5950 8.5950 10.4085 10.4085 14.0915 14.0915 15.4597 15.4597 15.6945 15.6945 15.9787 15.9787 16.9351 16.9351 k = 0.0811 0.0811 0.3723 ( 2972 PWs) bands (ev): -42.4886 -42.4886 -19.1516 -19.1516 -18.5167 -18.5167 -18.3219 -18.3219 5.8151 5.8151 5.8322 5.8322 7.1522 7.1522 7.8585 7.8585 8.5265 8.5265 8.5988 8.5988 10.3427 10.3427 14.0625 14.0625 15.4449 15.4449 15.7105 15.7105 15.9587 15.9587 16.9530 16.9530 k = 0.0743 0.0743 0.3723 ( 2972 PWs) bands (ev): -42.4891 -42.4891 -19.1512 -19.1512 -18.5156 -18.5156 -18.3195 -18.3195 5.8023 5.8023 5.8132 5.8132 7.1502 7.1502 7.8695 7.8695 8.5453 8.5453 8.6032 8.6032 10.2805 10.2805 14.0357 14.0357 15.4305 15.4305 15.7252 15.7252 15.9407 15.9407 16.9697 16.9697 k = 0.0676 0.0676 0.3723 ( 2972 PWs) bands (ev): -42.4896 -42.4896 -19.1508 -19.1508 -18.5145 -18.5145 -18.3173 -18.3173 5.7869 5.7869 5.7989 5.7989 7.1489 7.1489 7.8803 7.8803 8.5625 8.5625 8.6083 8.6083 10.2220 10.2220 14.0111 14.0111 15.4167 15.4167 15.7382 15.7383 15.9247 15.9247 16.9852 16.9852 k = 0.0608 0.0608 0.3723 ( 2970 PWs) bands (ev): -42.4900 -42.4900 -19.1504 -19.1504 -18.5135 -18.5135 -18.3153 -18.3153 5.7699 5.7699 5.7883 5.7883 7.1484 7.1484 7.8908 7.8908 8.5774 8.5774 8.6144 8.6144 10.1676 10.1676 13.9887 13.9887 15.4037 15.4037 15.7495 15.7495 15.9109 15.9109 16.9995 16.9995 k = 0.0541 0.0541 0.3723 ( 2974 PWs) bands (ev): -42.4904 -42.4904 -19.1501 -19.1501 -18.5126 -18.5126 -18.3135 -18.3135 5.7536 5.7536 5.7795 5.7795 7.1483 7.1483 7.9007 7.9007 8.5896 8.5896 8.6221 8.6221 10.1176 10.1176 13.9687 13.9687 15.3919 15.3919 15.7587 15.7587 15.8995 15.8995 17.0125 17.0125 k = 0.0473 0.0473 0.3723 ( 2974 PWs) bands (ev): -42.4908 -42.4908 -19.1498 -19.1498 -18.5118 -18.5118 -18.3119 -18.3119 5.7386 5.7386 5.7718 5.7718 7.1486 7.1486 7.9098 7.9098 8.5987 8.5987 8.6313 8.6313 10.0723 10.0723 13.9509 13.9509 15.3811 15.3811 15.7658 15.7658 15.8904 15.8904 17.0240 17.0240 k = 0.0405 0.0405 0.3723 ( 2970 PWs) bands (ev): -42.4911 -42.4911 -19.1496 -19.1496 -18.5111 -18.5111 -18.3105 -18.3105 5.7253 5.7253 5.7652 5.7652 7.1492 7.1492 7.9181 7.9181 8.6052 8.6052 8.6413 8.6413 10.0321 10.0321 13.9354 13.9354 15.3717 15.3717 15.7708 15.7708 15.8838 15.8838 17.0341 17.0341 k = 0.0338 0.0338 0.3723 ( 2974 PWs) bands (ev): -42.4914 -42.4914 -19.1494 -19.1494 -18.5105 -18.5105 -18.3093 -18.3093 5.7139 5.7139 5.7596 5.7596 7.1498 7.1498 7.9254 7.9254 8.6099 8.6099 8.6510 8.6510 9.9973 9.9973 13.9223 13.9223 15.3635 15.3635 15.7738 15.7738 15.8793 15.8793 17.0427 17.0427 k = 0.0270 0.0270 0.3723 ( 2978 PWs) bands (ev): -42.4916 -42.4916 -19.1492 -19.1492 -18.5100 -18.5100 -18.3083 -18.3083 5.7044 5.7044 5.7550 5.7550 7.1504 7.1504 7.9316 7.9316 8.6135 8.6135 8.6598 8.6598 9.9682 9.9682 13.9115 13.9115 15.3568 15.3568 15.7753 15.7753 15.8767 15.8767 17.0498 17.0498 k = 0.0203 0.0203 0.3723 ( 2986 PWs) bands (ev): -42.4917 -42.4917 -19.1491 -19.1491 -18.5096 -18.5096 -18.3076 -18.3076 5.6970 5.6970 5.7515 5.7515 7.1510 7.1510 7.9365 7.9365 8.6161 8.6161 8.6670 8.6670 9.9452 9.9452 13.9031 13.9031 15.3515 15.3515 15.7757 15.7757 15.8753 15.8753 17.0553 17.0553 k = 0.0135 0.0135 0.3723 ( 2990 PWs) bands (ev): -42.4919 -42.4919 -19.1490 -19.1490 -18.5093 -18.5093 -18.3070 -18.3070 5.6916 5.6916 5.7489 5.7489 7.1515 7.1515 7.9401 7.9401 8.6180 8.6180 8.6724 8.6724 9.9286 9.9286 13.8971 13.8971 15.3477 15.3477 15.7756 15.7756 15.8748 15.8748 17.0593 17.0593 k = 0.0068 0.0068 0.3723 ( 2990 PWs) bands (ev): -42.4919 -42.4919 -19.1489 -19.1489 -18.5092 -18.5092 -18.3067 -18.3067 5.6884 5.6884 5.7474 5.7474 7.1517 7.1517 7.9423 7.9423 8.6190 8.6190 8.6757 8.6757 9.9185 9.9185 13.8935 13.8935 15.3454 15.3454 15.7754 15.7754 15.8746 15.8746 17.0617 17.0617 k = 0.0000 0.0000 0.3723 ( 2990 PWs) bands (ev): -42.4920 -42.4920 -19.1489 -19.1489 -18.5091 -18.5091 -18.3066 -18.3066 5.6873 5.6873 5.7468 5.7468 7.1518 7.1518 7.9430 7.9430 8.6194 8.6194 8.6768 8.6768 9.9152 9.9152 13.8923 13.8923 15.3446 15.3446 15.7753 15.7753 15.8746 15.8746 17.0625 17.0625 k = 0.0000 0.5000-0.0000 ( 2976 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6097 -18.6097 -18.3631 -18.3631 5.8697 5.8697 6.0979 6.0979 7.5362 7.5362 7.7526 7.7526 8.3446 8.3446 10.7951 10.7951 11.2426 11.2426 13.5681 13.5681 14.2017 14.2017 15.8137 15.8137 16.3605 16.3605 18.1771 18.1771 k = 0.0000 0.5000 0.0095 ( 2976 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6097 -18.6097 -18.3631 -18.3631 5.8696 5.8696 6.0976 6.0976 7.5362 7.5362 7.7524 7.7524 8.3445 8.3445 10.7976 10.7976 11.2424 11.2424 13.5687 13.5687 14.2022 14.2022 15.8144 15.8144 16.3609 16.3609 18.1758 18.1758 k = 0.0000 0.5000 0.0191 ( 2978 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6097 -18.6097 -18.3631 -18.3631 5.8692 5.8692 6.0968 6.0968 7.5361 7.5361 7.7520 7.7520 8.3441 8.3441 10.8052 10.8052 11.2416 11.2416 13.5707 13.5707 14.2038 14.2038 15.8167 15.8167 16.3620 16.3620 18.1719 18.1719 k = 0.0000 0.5000 0.0286 ( 2976 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6097 -18.6097 -18.3631 -18.3631 5.8687 5.8687 6.0955 6.0955 7.5360 7.5360 7.7513 7.7513 8.3434 8.3434 10.8177 10.8177 11.2403 11.2403 13.5740 13.5740 14.2062 14.2062 15.8205 15.8205 16.3638 16.3638 18.1654 18.1654 k = 0.0000 0.5000 0.0382 ( 2972 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6097 -18.6097 -18.3631 -18.3631 5.8678 5.8678 6.0936 6.0936 7.5359 7.5359 7.7503 7.7503 8.3426 8.3426 10.8350 10.8350 11.2386 11.2386 13.5785 13.5785 14.2097 14.2097 15.8258 15.8258 16.3664 16.3664 18.1562 18.1562 k = 0.0000 0.5000 0.0477 ( 2972 PWs) bands (ev): -42.4656 -42.4656 -19.1874 -19.1874 -18.6098 -18.6098 -18.3631 -18.3631 5.8668 5.8668 6.0912 6.0912 7.5358 7.5358 7.7491 7.7491 8.3415 8.3415 10.8572 10.8572 11.2365 11.2365 13.5841 13.5841 14.2141 14.2141 15.8325 15.8325 16.3696 16.3696 18.1443 18.1443 k = 0.0000 0.5000 0.0573 ( 2968 PWs) bands (ev): -42.4656 -42.4656 -19.1875 -19.1875 -18.6098 -18.6098 -18.3631 -18.3631 5.8655 5.8655 6.0883 6.0883 7.5357 7.5357 7.7477 7.7477 8.3402 8.3402 10.8839 10.8839 11.2341 11.2341 13.5909 13.5909 14.2194 14.2194 15.8406 15.8406 16.3735 16.3735 18.1296 18.1296 k = 0.0000 0.5000 0.0668 ( 2954 PWs) bands (ev): -42.4656 -42.4656 -19.1875 -19.1875 -18.6098 -18.6098 -18.3631 -18.3631 5.8641 5.8641 6.0849 6.0849 7.5356 7.5356 7.7462 7.7462 8.3388 8.3388 10.9151 10.9151 11.2315 11.2315 13.5988 13.5988 14.2256 14.2256 15.8501 15.8501 16.3781 16.3781 18.1121 18.1121 k = 0.0000 0.5000 0.0764 ( 2954 PWs) bands (ev): -42.4656 -42.4656 -19.1876 -19.1876 -18.6099 -18.6099 -18.3630 -18.3630 5.8624 5.8624 6.0810 6.0810 7.5354 7.5354 7.7445 7.7445 8.3374 8.3374 10.9503 10.9503 11.2289 11.2289 13.6076 13.6076 14.2327 14.2327 15.8609 15.8609 16.3833 16.3833 18.0916 18.0916 k = 0.0000 0.5000 0.0859 ( 2966 PWs) bands (ev): -42.4656 -42.4656 -19.1876 -19.1876 -18.6099 -18.6099 -18.3630 -18.3630 5.8605 5.8605 6.0766 6.0766 7.5352 7.5352 7.7429 7.7429 8.3359 8.3359 10.9892 10.9892 11.2266 11.2266 13.6173 13.6173 14.2404 14.2404 15.8729 15.8729 16.3891 16.3891 18.0680 18.0680 k = 0.0000 0.5000 0.0955 ( 2970 PWs) bands (ev): -42.4656 -42.4656 -19.1876 -19.1876 -18.6100 -18.6100 -18.3630 -18.3630 5.8584 5.8584 6.0718 6.0718 7.5351 7.5351 7.7412 7.7412 8.3345 8.3345 11.0310 11.0310 11.2252 11.2252 13.6277 13.6277 14.2489 14.2489 15.8860 15.8860 16.3955 16.3955 18.0413 18.0413 k = 0.0000 0.5000 0.1050 ( 2978 PWs) bands (ev): -42.4656 -42.4656 -19.1877 -19.1877 -18.6101 -18.6101 -18.3630 -18.3630 5.8562 5.8562 6.0664 6.0664 7.5348 7.5348 7.7396 7.7396 8.3331 8.3331 11.0742 11.0742 11.2262 11.2262 13.6387 13.6387 14.2580 14.2580 15.9003 15.9003 16.4024 16.4024 18.0112 18.0112 k = 0.0000 0.5000 0.1146 ( 2980 PWs) bands (ev): -42.4656 -42.4656 -19.1878 -19.1878 -18.6101 -18.6101 -18.3629 -18.3629 5.8538 5.8538 6.0607 6.0607 7.5346 7.5346 7.7382 7.7382 8.3319 8.3319 11.1151 11.1151 11.2329 11.2329 13.6502 13.6502 14.2676 14.2676 15.9155 15.9155 16.4097 16.4097 17.9778 17.9779 k = 0.0000 0.5000 0.1241 ( 2984 PWs) bands (ev): -42.4655 -42.4655 -19.1878 -19.1878 -18.6102 -18.6102 -18.3629 -18.3629 5.8512 5.8512 6.0545 6.0545 7.5342 7.5342 7.7369 7.7369 8.3309 8.3309 11.1463 11.1463 11.2528 11.2528 13.6622 13.6622 14.2777 14.2777 15.9316 15.9316 16.4175 16.4175 17.9410 17.9410 k = 0.0000 0.5000 0.1336 ( 2984 PWs) bands (ev): -42.4655 -42.4655 -19.1879 -19.1879 -18.6103 -18.6103 -18.3628 -18.3628 5.8485 5.8485 6.0480 6.0480 7.5338 7.5338 7.7358 7.7358 8.3302 8.3302 11.1617 11.1617 11.2917 11.2917 13.6744 13.6744 14.2882 14.2882 15.9485 15.9485 16.4256 16.4256 17.9006 17.9006 k = 0.0000 0.5000 0.1432 ( 2984 PWs) bands (ev): -42.4655 -42.4655 -19.1879 -19.1879 -18.6103 -18.6103 -18.3628 -18.3628 5.8457 5.8457 6.0412 6.0412 7.5333 7.5333 7.7350 7.7350 8.3297 8.3297 11.1663 11.1663 11.3444 11.3444 13.6867 13.6867 14.2989 14.2989 15.9661 15.9661 16.4340 16.4340 17.8567 17.8567 k = 0.0000 0.5000 0.1527 ( 2982 PWs) bands (ev): -42.4655 -42.4655 -19.1880 -19.1880 -18.6104 -18.6104 -18.3628 -18.3628 5.8427 5.8427 6.0341 6.0341 7.5326 7.5326 7.7345 7.7345 8.3296 8.3296 11.1661 11.1661 11.4047 11.4047 13.6991 13.6991 14.3098 14.3098 15.9842 15.9842 16.4427 16.4427 17.8091 17.8091 k = 0.0000 0.5000 0.1623 ( 2982 PWs) bands (ev): -42.4655 -42.4655 -19.1881 -19.1881 -18.6105 -18.6105 -18.3627 -18.3627 5.8397 5.8397 6.0267 6.0267 7.5317 7.5317 7.7343 7.7343 8.3300 8.3300 11.1638 11.1638 11.4697 11.4697 13.7115 13.7115 14.3207 14.3207 16.0028 16.0028 16.4517 16.4517 17.7580 17.7580 k = 0.0000 0.5000 0.1718 ( 2986 PWs) bands (ev): -42.4655 -42.4655 -19.1881 -19.1881 -18.6106 -18.6106 -18.3627 -18.3627 5.8365 5.8365 6.0192 6.0192 7.5307 7.5307 7.7345 7.7345 8.3307 8.3307 11.1607 11.1607 11.5380 11.5380 13.7237 13.7237 14.3316 14.3316 16.0218 16.0218 16.4607 16.4607 17.7035 17.7035 k = 0.0000 0.5000 0.1814 ( 2986 PWs) bands (ev): -42.4655 -42.4655 -19.1882 -19.1882 -18.6107 -18.6107 -18.3626 -18.3626 5.8334 5.8334 6.0116 6.0116 7.5295 7.5295 7.7349 7.7349 8.3319 8.3319 11.1570 11.1570 11.6088 11.6088 13.7357 13.7357 14.3422 14.3422 16.0409 16.0409 16.4699 16.4699 17.6456 17.6456 k = 0.0000 0.5000 0.1909 ( 2982 PWs) bands (ev): -42.4655 -42.4655 -19.1883 -19.1883 -18.6107 -18.6107 -18.3626 -18.3626 5.8302 5.8302 6.0039 6.0039 7.5280 7.5280 7.7356 7.7356 8.3336 8.3336 11.1533 11.1533 11.6816 11.6816 13.7474 13.7474 14.3526 14.3526 16.0601 16.0601 16.4791 16.4791 17.5846 17.5846 k = 0.0000 0.5000 0.2005 ( 2974 PWs) bands (ev): -42.4655 -42.4655 -19.1884 -19.1884 -18.6108 -18.6108 -18.3625 -18.3625 5.8269 5.8269 5.9961 5.9961 7.5264 7.5264 7.7365 7.7365 8.3358 8.3358 11.1495 11.1495 11.7559 11.7559 13.7588 13.7588 14.3624 14.3624 16.0793 16.0793 16.4882 16.4882 17.5207 17.5207 k = 0.0000 0.5000 0.2100 ( 2974 PWs) bands (ev): -42.4654 -42.4654 -19.1884 -19.1884 -18.6109 -18.6109 -18.3625 -18.3625 5.8237 5.8237 5.9884 5.9884 7.5247 7.5247 7.7376 7.7376 8.3384 8.3384 11.1458 11.1458 11.8314 11.8314 13.7698 13.7698 14.3716 14.3716 16.0984 16.0984 16.4972 16.4972 17.4544 17.4544 k = 0.0000 0.5000 0.2196 ( 2978 PWs) bands (ev): -42.4654 -42.4654 -19.1885 -19.1885 -18.6110 -18.6110 -18.3625 -18.3625 5.8205 5.8205 5.9808 5.9808 7.5227 7.5227 7.7389 7.7389 8.3415 8.3415 11.1424 11.1424 11.9074 11.9074 13.7804 13.7804 14.3801 14.3801 16.1171 16.1171 16.5061 16.5061 17.3860 17.3860 k = 0.0000 0.5000 0.2291 ( 2974 PWs) bands (ev): -42.4654 -42.4654 -19.1886 -19.1886 -18.6111 -18.6111 -18.3624 -18.3624 5.8173 5.8173 5.9734 5.9734 7.5207 7.5207 7.7404 7.7404 8.3450 8.3450 11.1391 11.1391 11.9837 11.9837 13.7907 13.7907 14.3876 14.3876 16.1354 16.1354 16.5148 16.5148 17.3161 17.3161 k = 0.0000 0.5000 0.2387 ( 2972 PWs) bands (ev): -42.4654 -42.4654 -19.1886 -19.1886 -18.6111 -18.6111 -18.3624 -18.3624 5.8142 5.8142 5.9662 5.9662 7.5186 7.5186 7.7418 7.7418 8.3489 8.3489 11.1360 11.1360 12.0597 12.0597 13.8006 13.8006 14.3941 14.3941 16.1532 16.1532 16.5231 16.5231 17.2452 17.2452 k = 0.0000 0.5000 0.2482 ( 2972 PWs) bands (ev): -42.4654 -42.4654 -19.1887 -19.1887 -18.6112 -18.6112 -18.3623 -18.3623 5.8112 5.8112 5.9592 5.9592 7.5164 7.5164 7.7433 7.7433 8.3531 8.3531 11.1333 11.1333 12.1348 12.1348 13.8103 13.8103 14.3995 14.3995 16.1703 16.1703 16.5312 16.5312 17.1740 17.1740 k = 0.0000 0.5000 0.2578 ( 2962 PWs) bands (ev): -42.4654 -42.4654 -19.1887 -19.1887 -18.6113 -18.6113 -18.3623 -18.3623 5.8083 5.8083 5.9526 5.9526 7.5142 7.5142 7.7448 7.7448 8.3575 8.3575 11.1308 11.1308 12.2086 12.2086 13.8199 13.8199 14.4035 14.4035 16.1867 16.1867 16.5388 16.5388 17.1032 17.1032 k = 0.0000 0.5000 0.2673 ( 2962 PWs) bands (ev): -42.4654 -42.4654 -19.1888 -19.1888 -18.6113 -18.6113 -18.3623 -18.3623 5.8055 5.8055 5.9463 5.9463 7.5120 7.5120 7.7463 7.7463 8.3620 8.3620 11.1286 11.1286 12.2804 12.2804 13.8292 13.8292 14.4062 14.4062 16.2022 16.2022 16.5459 16.5459 17.0336 17.0336 k = 0.0000 0.5000 0.2768 ( 2962 PWs) bands (ev): -42.4654 -42.4654 -19.1889 -19.1889 -18.6114 -18.6114 -18.3622 -18.3622 5.8029 5.8029 5.9404 5.9404 7.5099 7.5099 7.7476 7.7476 8.3666 8.3666 11.1266 11.1266 12.3495 12.3495 13.8386 13.8386 14.4074 14.4074 16.2167 16.2167 16.5524 16.5524 16.9661 16.9661 k = 0.0000 0.5000 0.2864 ( 2970 PWs) bands (ev): -42.4654 -42.4654 -19.1889 -19.1889 -18.6114 -18.6114 -18.3622 -18.3622 5.8004 5.8004 5.9350 5.9350 7.5079 7.5079 7.7488 7.7488 8.3712 8.3712 11.1249 11.1249 12.4153 12.4153 13.8480 13.8480 14.4071 14.4071 16.2301 16.2301 16.5583 16.5583 16.9015 16.9015 k = 0.0000 0.5000 0.2959 ( 2970 PWs) bands (ev): -42.4653 -42.4653 -19.1890 -19.1890 -18.6115 -18.6115 -18.3622 -18.3622 5.7982 5.7982 5.9301 5.9301 7.5060 7.5060 7.7500 7.7500 8.3756 8.3756 11.1235 11.1235 12.4769 12.4769 13.8574 13.8574 14.4054 14.4054 16.2423 16.2423 16.5634 16.5634 16.8408 16.8408 k = 0.0000 0.5000 0.3055 ( 2974 PWs) bands (ev): -42.4653 -42.4653 -19.1890 -19.1890 -18.6115 -18.6115 -18.3622 -18.3622 5.7961 5.7961 5.9257 5.9257 7.5043 7.5043 7.7510 7.7510 8.3798 8.3798 11.1223 11.1223 12.5337 12.5337 13.8668 13.8668 14.4025 14.4025 16.2533 16.2533 16.5675 16.5675 16.7851 16.7851 k = 0.0000 0.5000 0.3150 ( 2974 PWs) bands (ev): -42.4653 -42.4653 -19.1890 -19.1890 -18.6116 -18.6116 -18.3621 -18.3621 5.7943 5.7943 5.9218 5.9218 7.5027 7.5027 7.7518 7.7518 8.3837 8.3837 11.1212 11.1212 12.5849 12.5849 13.8762 13.8762 14.3984 14.3984 16.2629 16.2629 16.5704 16.5704 16.7355 16.7355 k = 0.0000 0.5000 0.3246 ( 2966 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6116 -18.6116 -18.3621 -18.3621 5.7927 5.7927 5.9184 5.9184 7.5014 7.5014 7.7526 7.7526 8.3871 8.3871 11.1204 11.1204 12.6297 12.6297 13.8851 13.8851 14.3937 14.3937 16.2711 16.2711 16.5716 16.5716 16.6932 16.6932 k = 0.0000 0.5000 0.3341 ( 2966 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6116 -18.6116 -18.3621 -18.3621 5.7914 5.7914 5.9157 5.9157 7.5002 7.5002 7.7531 7.7531 8.3900 8.3900 11.1198 11.1198 12.6674 12.6674 13.8935 13.8935 14.3886 14.3886 16.2779 16.2779 16.5701 16.5701 16.6599 16.6599 k = 0.0000 0.5000 0.3437 ( 2966 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6117 -18.6117 -18.3621 -18.3621 5.7903 5.7903 5.9136 5.9136 7.4993 7.4993 7.7536 7.7536 8.3924 8.3924 11.1193 11.1193 12.6974 12.6974 13.9007 13.9007 14.3839 14.3839 16.2831 16.2831 16.5653 16.5653 16.6370 16.6370 k = 0.0000 0.5000 0.3532 ( 2966 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6117 -18.6117 -18.3621 -18.3621 5.7896 5.7896 5.9120 5.9120 7.4987 7.4987 7.7539 7.7539 8.3941 8.3941 11.1190 11.1190 12.7192 12.7192 13.9064 13.9064 14.3799 14.3799 16.2869 16.2869 16.5579 16.5579 16.6242 16.6242 k = 0.0000 0.5000 0.3628 ( 2972 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6117 -18.6117 -18.3621 -18.3621 5.7891 5.7891 5.9111 5.9111 7.4983 7.4983 7.7541 7.7541 8.3951 8.3951 11.1188 11.1188 12.7324 12.7324 13.9100 13.9100 14.3773 14.3773 16.2891 16.2891 16.5515 16.5515 16.6184 16.6184 k = 0.0000 0.5000 0.3723 ( 2980 PWs) bands (ev): -42.4653 -42.4653 -19.1891 -19.1891 -18.6117 -18.6117 -18.3621 -18.3621 5.7890 5.7890 5.9108 5.9108 7.4981 7.4981 7.7542 7.7542 8.3955 8.3955 11.1187 11.1187 12.7369 12.7369 13.9112 13.9112 14.3764 14.3764 16.2899 16.2899 16.5489 16.5489 16.6168 16.6168 k = 0.5000 0.5000-0.0000 ( 3024 PWs) bands (ev): -42.4396 -42.4396 -19.2170 -19.2170 -18.5879 -18.5879 -18.5366 -18.5366 5.6421 5.6421 5.8746 5.8746 7.1232 7.1232 7.6181 7.6181 9.0665 9.0665 12.5423 12.5423 14.3431 14.3431 15.2964 15.2964 15.7845 15.7845 15.8524 15.8524 16.0376 16.0376 17.7971 17.7971 k = 0.5000 0.5000 0.0095 ( 3012 PWs) bands (ev): -42.4396 -42.4396 -19.2170 -19.2170 -18.5879 -18.5879 -18.5366 -18.5366 5.6423 5.6423 5.8749 5.8749 7.1235 7.1235 7.6190 7.6190 9.0666 9.0666 12.5422 12.5422 14.3360 14.3360 15.2764 15.2764 15.7934 15.7934 15.8724 15.8724 16.0398 16.0398 17.7971 17.7971 k = 0.5000 0.5000 0.0191 ( 3012 PWs) bands (ev): -42.4396 -42.4396 -19.2171 -19.2171 -18.5879 -18.5879 -18.5366 -18.5366 5.6432 5.6432 5.8758 5.8758 7.1242 7.1242 7.6219 7.6219 9.0667 9.0667 12.5420 12.5420 14.3154 14.3154 15.2236 15.2236 15.8196 15.8196 15.9226 15.9226 16.0487 16.0487 17.7971 17.7971 k = 0.5000 0.5000 0.0286 ( 3004 PWs) bands (ev): -42.4396 -42.4396 -19.2171 -19.2171 -18.5880 -18.5880 -18.5366 -18.5366 5.6445 5.6445 5.8773 5.8773 7.1254 7.1254 7.6266 7.6266 9.0670 9.0670 12.5416 12.5416 14.2826 14.2826 15.1511 15.1511 15.8617 15.8617 15.9767 15.9767 16.0777 16.0777 17.7971 17.7971 k = 0.5000 0.5000 0.0382 ( 3004 PWs) bands (ev): -42.4396 -42.4396 -19.2172 -19.2172 -18.5881 -18.5881 -18.5366 -18.5366 5.6464 5.6464 5.8794 5.8794 7.1272 7.1272 7.6332 7.6332 9.0673 9.0673 12.5410 12.5410 14.2397 14.2397 15.0684 15.0684 15.9177 15.9177 16.0052 16.0052 16.1466 16.1466 17.7972 17.7972 k = 0.5000 0.5000 0.0477 ( 3012 PWs) bands (ev): -42.4395 -42.4395 -19.2173 -19.2173 -18.5882 -18.5882 -18.5366 -18.5366 5.6489 5.6489 5.8820 5.8820 7.1294 7.1294 7.6417 7.6417 9.0678 9.0678 12.5402 12.5402 14.1886 14.1886 14.9806 14.9806 15.9854 15.9854 16.0167 16.0167 16.2418 16.2418 17.7972 17.7972 k = 0.5000 0.5000 0.0573 ( 3012 PWs) bands (ev): -42.4395 -42.4395 -19.2173 -19.2173 -18.5884 -18.5884 -18.5366 -18.5366 5.6518 5.6518 5.8852 5.8852 7.1321 7.1321 7.6520 7.6520 9.0684 9.0684 12.5392 12.5392 14.1315 14.1315 14.8907 14.8907 16.0235 16.0235 16.0630 16.0630 16.3481 16.3481 17.7973 17.7973 k = 0.5000 0.5000 0.0668 ( 3012 PWs) bands (ev): -42.4395 -42.4395 -19.2175 -19.2175 -18.5885 -18.5885 -18.5366 -18.5366 5.6552 5.6552 5.8890 5.8890 7.1352 7.1352 7.6641 7.6641 9.0690 9.0690 12.5380 12.5380 14.0699 14.0699 14.8003 14.8003 16.0290 16.0290 16.1487 16.1487 16.4604 16.4604 17.7974 17.7974 k = 0.5000 0.5000 0.0764 ( 3012 PWs) bands (ev): -42.4395 -42.4395 -19.2176 -19.2176 -18.5887 -18.5887 -18.5367 -18.5367 5.6591 5.6591 5.8932 5.8932 7.1388 7.1388 7.6779 7.6779 9.0697 9.0697 12.5366 12.5366 14.0054 14.0054 14.7102 14.7102 16.0342 16.0342 16.2410 16.2410 16.5768 16.5768 17.7975 17.7975 k = 0.5000 0.5000 0.0859 ( 3012 PWs) bands (ev): -42.4395 -42.4395 -19.2177 -19.2177 -18.5889 -18.5889 -18.5367 -18.5367 5.6634 5.6634 5.8979 5.8979 7.1428 7.1428 7.6935 7.6935 9.0706 9.0706 12.5350 12.5350 13.9390 13.9390 14.6211 14.6211 16.0395 16.0395 16.3387 16.3387 16.6962 16.6962 17.7976 17.7976 k = 0.5000 0.5000 0.0955 ( 3012 PWs) bands (ev): -42.4395 -42.4395 -19.2179 -19.2179 -18.5892 -18.5892 -18.5367 -18.5367 5.6682 5.6682 5.9031 5.9031 7.1471 7.1471 7.7107 7.7107 9.0715 9.0715 12.5330 12.5330 13.8717 13.8717 14.5334 14.5334 16.0451 16.0451 16.4409 16.4409 16.8182 16.8182 17.7976 17.7976 k = 0.5000 0.5000 0.1050 ( 3004 PWs) bands (ev): -42.4395 -42.4395 -19.2181 -19.2181 -18.5894 -18.5894 -18.5367 -18.5367 5.6733 5.6733 5.9087 5.9087 7.1519 7.1519 7.7295 7.7295 9.0725 9.0725 12.5307 12.5307 13.8042 13.8042 14.4474 14.4474 16.0510 16.0510 16.5468 16.5468 16.9424 16.9424 17.7977 17.7977 k = 0.5000 0.5000 0.1146 ( 3004 PWs) bands (ev): -42.4395 -42.4395 -19.2182 -19.2182 -18.5897 -18.5897 -18.5368 -18.5368 5.6788 5.6788 5.9146 5.9146 7.1570 7.1570 7.7498 7.7498 9.0735 9.0735 12.5281 12.5281 13.7372 13.7372 14.3632 14.3632 16.0573 16.0573 16.6554 16.6554 17.0684 17.0684 17.7978 17.7978 k = 0.5000 0.5000 0.1241 ( 2996 PWs) bands (ev): -42.4394 -42.4394 -19.2184 -19.2184 -18.5900 -18.5900 -18.5368 -18.5368 5.6846 5.6846 5.9209 5.9209 7.1624 7.1624 7.7715 7.7715 9.0747 9.0747 12.5251 12.5251 13.6710 13.6710 14.2811 14.2811 16.0638 16.0638 16.7661 16.7661 17.1962 17.1962 17.7979 17.7979 k = 0.5000 0.5000 0.1336 ( 3000 PWs) bands (ev): -42.4394 -42.4394 -19.2186 -19.2186 -18.5903 -18.5903 -18.5368 -18.5368 5.6907 5.6907 5.9274 5.9274 7.1681 7.1681 7.7945 7.7945 9.0759 9.0759 12.5217 12.5217 13.6063 13.6063 14.2013 14.2013 16.0707 16.0707 16.8776 16.8776 17.3255 17.3255 17.7978 17.7978 k = 0.5000 0.5000 0.1432 ( 3008 PWs) bands (ev): -42.4394 -42.4394 -19.2188 -19.2188 -18.5906 -18.5906 -18.5369 -18.5369 5.6970 5.6970 5.9342 5.9342 7.1741 7.1741 7.8188 7.8188 9.0771 9.0771 12.5178 12.5178 13.5432 13.5432 14.1237 14.1237 16.0780 16.0780 16.9883 16.9883 17.4563 17.4563 17.7969 17.7969 k = 0.5000 0.5000 0.1527 ( 3000 PWs) bands (ev): -42.4394 -42.4394 -19.2190 -19.2190 -18.5910 -18.5910 -18.5369 -18.5369 5.7035 5.7035 5.9412 5.9412 7.1802 7.1802 7.8443 7.8443 9.0784 9.0784 12.5133 12.5133 13.4821 13.4821 14.0485 14.0485 16.0855 16.0855 17.0947 17.0947 17.5884 17.5884 17.7577 17.7577 k = 0.5000 0.5000 0.1623 ( 2992 PWs) bands (ev): -42.4394 -42.4394 -19.2193 -19.2193 -18.5913 -18.5913 -18.5370 -18.5370 5.7102 5.7102 5.9483 5.9483 7.1866 7.1866 7.8707 7.8707 9.0798 9.0798 12.5083 12.5083 13.4232 13.4232 13.9759 13.9759 16.0932 16.0932 17.1879 17.1879 17.6739 17.6739 17.7218 17.7218 k = 0.5000 0.5000 0.1718 ( 3004 PWs) bands (ev): -42.4393 -42.4393 -19.2195 -19.2195 -18.5916 -18.5916 -18.5370 -18.5370 5.7170 5.7170 5.9556 5.9556 7.1930 7.1930 7.8980 7.8980 9.0811 9.0811 12.5027 12.5027 13.3669 13.3669 13.9058 13.9058 16.1011 16.1011 17.2449 17.2449 17.6262 17.6262 17.7996 17.7996 k = 0.5000 0.5000 0.1814 ( 2996 PWs) bands (ev): -42.4393 -42.4393 -19.2197 -19.2197 -18.5920 -18.5920 -18.5370 -18.5370 5.7239 5.7239 5.9629 5.9629 7.1996 7.1996 7.9260 7.9260 9.0825 9.0825 12.4963 12.4963 13.3133 13.3133 13.8385 13.8385 16.1093 16.1093 17.2341 17.2341 17.6483 17.6483 17.7998 17.7998 k = 0.5000 0.5000 0.1909 ( 2996 PWs) bands (ev): -42.4393 -42.4393 -19.2199 -19.2199 -18.5923 -18.5923 -18.5371 -18.5371 5.7308 5.7308 5.9702 5.9702 7.2063 7.2063 7.9545 7.9545 9.0839 9.0839 12.4892 12.4892 13.2626 13.2626 13.7739 13.7739 16.1175 16.1175 17.1672 17.1672 17.7285 17.7285 17.8003 17.8003 k = 0.5000 0.5000 0.2005 ( 2996 PWs) bands (ev): -42.4393 -42.4393 -19.2202 -19.2202 -18.5927 -18.5927 -18.5371 -18.5371 5.7377 5.7377 5.9774 5.9774 7.2129 7.2129 7.9835 7.9835 9.0853 9.0853 12.4814 12.4814 13.2149 13.2149 13.7121 13.7121 16.1258 16.1258 17.0767 17.0767 17.7984 17.7984 17.8377 17.8377 k = 0.5000 0.5000 0.2100 ( 2996 PWs) bands (ev): -42.4393 -42.4393 -19.2204 -19.2204 -18.5930 -18.5930 -18.5372 -18.5372 5.7445 5.7445 5.9846 5.9846 7.2195 7.2195 8.0126 8.0126 9.0868 9.0868 12.4727 12.4727 13.1705 13.1705 13.6533 13.6533 16.1341 16.1341 16.9785 16.9785 17.7995 17.7995 17.9550 17.9550 k = 0.5000 0.5000 0.2196 ( 3016 PWs) bands (ev): -42.4392 -42.4392 -19.2206 -19.2206 -18.5933 -18.5933 -18.5372 -18.5372 5.7512 5.7512 5.9917 5.9917 7.2261 7.2261 8.0418 8.0418 9.0882 9.0882 12.4633 12.4633 13.1293 13.1293 13.5974 13.5974 16.1424 16.1424 16.8785 16.8785 17.7998 17.7998 18.0787 18.0787 k = 0.5000 0.5000 0.2291 ( 3016 PWs) bands (ev): -42.4392 -42.4392 -19.2208 -19.2208 -18.5937 -18.5937 -18.5372 -18.5372 5.7577 5.7577 5.9985 5.9985 7.2325 7.2325 8.0707 8.0707 9.0896 9.0896 12.4531 12.4531 13.0916 13.0916 13.5445 13.5445 16.1506 16.1506 16.7795 16.7795 17.8000 17.8000 18.2056 18.2056 k = 0.5000 0.5000 0.2387 ( 3008 PWs) bands (ev): -42.4392 -42.4392 -19.2210 -19.2210 -18.5940 -18.5940 -18.5373 -18.5373 5.7641 5.7641 6.0052 6.0052 7.2388 7.2388 8.0993 8.0993 9.0909 9.0909 12.4422 12.4422 13.0572 13.0572 13.4947 13.4947 16.1586 16.1586 16.6832 16.6832 17.8002 17.8002 18.3345 18.3345 k = 0.5000 0.5000 0.2482 ( 3008 PWs) bands (ev): -42.4392 -42.4392 -19.2212 -19.2212 -18.5943 -18.5943 -18.5373 -18.5373 5.7702 5.7702 6.0116 6.0116 7.2448 7.2448 8.1273 8.1273 9.0922 9.0922 12.4307 12.4307 13.0262 13.0262 13.4481 13.4481 16.1664 16.1664 16.5904 16.5904 17.8004 17.8004 18.4645 18.4645 k = 0.5000 0.5000 0.2578 ( 3000 PWs) bands (ev): -42.4392 -42.4392 -19.2214 -19.2214 -18.5946 -18.5946 -18.5374 -18.5374 5.7761 5.7761 6.0177 6.0177 7.2506 7.2506 8.1544 8.1544 9.0935 9.0935 12.4188 12.4188 12.9984 12.9984 13.4047 13.4047 16.1740 16.1740 16.5020 16.5020 17.8005 17.8005 18.5953 18.5953 k = 0.5000 0.5000 0.2673 ( 3000 PWs) bands (ev): -42.4392 -42.4392 -19.2216 -19.2216 -18.5948 -18.5948 -18.5374 -18.5374 5.7816 5.7816 6.0235 6.0235 7.2562 7.2562 8.1804 8.1804 9.0947 9.0947 12.4067 12.4067 12.9738 12.9738 13.3645 13.3645 16.1812 16.1812 16.4186 16.4186 17.8007 17.8007 18.7263 18.7263 k = 0.5000 0.5000 0.2768 ( 3000 PWs) bands (ev): -42.4391 -42.4391 -19.2218 -19.2218 -18.5951 -18.5951 -18.5374 -18.5374 5.7868 5.7868 6.0289 6.0289 7.2614 7.2614 8.2052 8.2052 9.0958 9.0958 12.3945 12.3945 12.9523 12.9523 13.3277 13.3277 16.1881 16.1881 16.3406 16.3406 17.8008 17.8008 18.8570 18.8570 k = 0.5000 0.5000 0.2864 ( 3000 PWs) bands (ev): -42.4391 -42.4391 -19.2219 -19.2219 -18.5953 -18.5953 -18.5374 -18.5374 5.7916 5.7916 6.0339 6.0339 7.2662 7.2662 8.2284 8.2284 9.0969 9.0969 12.3825 12.3825 12.9335 12.9335 13.2942 13.2942 16.1945 16.1945 16.2687 16.2687 17.8009 17.8009 18.9870 18.9870 k = 0.5000 0.5000 0.2959 ( 2992 PWs) bands (ev): -42.4391 -42.4391 -19.2221 -19.2221 -18.5956 -18.5956 -18.5375 -18.5375 5.7959 5.7959 6.0384 6.0384 7.2706 7.2706 8.2499 8.2499 9.0978 9.0978 12.3709 12.3709 12.9174 12.9174 13.2641 13.2641 16.2004 16.2004 16.2032 16.2032 17.8010 17.8010 19.1157 19.1157 k = 0.5000 0.5000 0.3055 ( 3004 PWs) bands (ev): -42.4391 -42.4391 -19.2222 -19.2222 -18.5957 -18.5957 -18.5375 -18.5375 5.7999 5.7999 6.0425 6.0425 7.2746 7.2746 8.2694 8.2694 9.0987 9.0987 12.3601 12.3601 12.9037 12.9037 13.2375 13.2375 16.1445 16.1445 16.2057 16.2057 17.8011 17.8011 19.2422 19.2422 k = 0.5000 0.5000 0.3150 ( 3004 PWs) bands (ev): -42.4391 -42.4391 -19.2223 -19.2223 -18.5959 -18.5959 -18.5375 -18.5375 5.8034 5.8034 6.0461 6.0461 7.2781 7.2781 8.2868 8.2868 9.0995 9.0995 12.3502 12.3502 12.8923 12.8923 13.2143 13.2143 16.0930 16.0930 16.2104 16.2104 17.8012 17.8012 19.3654 19.3654 k = 0.5000 0.5000 0.3246 ( 3004 PWs) bands (ev): -42.4391 -42.4391 -19.2224 -19.2224 -18.5961 -18.5961 -18.5375 -18.5375 5.8063 5.8063 6.0492 6.0492 7.2812 7.2812 8.3018 8.3018 9.1001 9.1001 12.3414 12.3414 12.8829 12.8829 13.1946 13.1946 16.0488 16.0488 16.2145 16.2145 17.8013 17.8013 19.4836 19.4836 k = 0.5000 0.5000 0.3341 ( 2996 PWs) bands (ev): -42.4391 -42.4391 -19.2225 -19.2225 -18.5962 -18.5962 -18.5375 -18.5375 5.8088 5.8088 6.0517 6.0517 7.2837 7.2837 8.3144 8.3144 9.1007 9.1007 12.3340 12.3340 12.8755 12.8755 13.1785 13.1785 16.0124 16.0124 16.2179 16.2179 17.8013 17.8013 19.5942 19.5942 k = 0.5000 0.5000 0.3437 ( 2996 PWs) bands (ev): -42.4391 -42.4391 -19.2225 -19.2225 -18.5963 -18.5963 -18.5376 -18.5376 5.8107 5.8107 6.0537 6.0537 7.2857 7.2857 8.3243 8.3243 9.1011 9.1011 12.3280 12.3280 12.8699 12.8699 13.1660 13.1660 15.9838 15.9838 16.2206 16.2206 17.8014 17.8014 19.6931 19.6931 k = 0.5000 0.5000 0.3532 ( 2996 PWs) bands (ev): -42.4391 -42.4391 -19.2226 -19.2226 -18.5964 -18.5964 -18.5376 -18.5376 5.8121 5.8121 6.0551 6.0551 7.2871 7.2871 8.3314 8.3314 9.1014 9.1014 12.3237 12.3237 12.8659 12.8659 13.1570 13.1570 15.9632 15.9632 16.2225 16.2225 17.8014 17.8014 19.7742 19.7742 k = 0.5000 0.5000 0.3628 ( 2996 PWs) bands (ev): -42.4391 -42.4391 -19.2226 -19.2226 -18.5964 -18.5964 -18.5376 -18.5376 5.8129 5.8129 6.0560 6.0560 7.2879 7.2879 8.3357 8.3357 9.1016 9.1016 12.3210 12.3210 12.8635 12.8635 13.1516 13.1516 15.9509 15.9509 16.2237 16.2237 17.8014 17.8014 19.8288 19.8288 k = 0.5000 0.5000 0.3723 ( 2992 PWs) bands (ev): -42.4391 -42.4391 -19.2226 -19.2226 -18.5964 -18.5964 -18.5376 -18.5376 5.8132 5.8132 6.0563 6.0563 7.2882 7.2882 8.3372 8.3372 9.1017 9.1017 12.3201 12.3201 12.8628 12.8628 13.1498 13.1498 15.9467 15.9467 16.2241 16.2241 17.8015 17.8015 19.8484 19.8484 Writing output data file TiHg.save init_run : 0.10s CPU 0.30s WALL ( 1 calls) electrons : 125.99s CPU 128.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 125.98s CPU 128.74s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 486 calls) cegterg : 119.25s CPU 121.64s WALL ( 681 calls) Called by sum_band: Called by *egterg: h_psi : 71.63s CPU 73.36s WALL ( 11700 calls) s_psi : 1.80s CPU 1.70s WALL ( 11700 calls) g_psi : 0.24s CPU 0.24s WALL ( 10533 calls) cdiaghg : 39.67s CPU 40.54s WALL ( 11019 calls) cegterg:over : 4.14s CPU 4.28s WALL ( 10533 calls) cegterg:upda : 2.91s CPU 3.02s WALL ( 10533 calls) cegterg:last : 2.13s CPU 2.16s WALL ( 2612 calls) cdiaghg:chol : 1.96s CPU 2.08s WALL ( 11019 calls) cdiaghg:inve : 1.00s CPU 1.00s WALL ( 11019 calls) cdiaghg:para : 2.34s CPU 2.36s WALL ( 22038 calls) Called by h_psi: h_psi:vloc : 65.34s CPU 67.01s WALL ( 11700 calls) h_psi:vnl : 6.16s CPU 6.24s WALL ( 11700 calls) add_vuspsi : 3.48s CPU 3.38s WALL ( 11700 calls) General routines calbec : 2.65s CPU 2.83s WALL ( 11700 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 61.80s CPU 63.25s WALL ( 986328 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 972 calls) Parallel routines fft_scatter : 25.02s CPU 25.35s WALL ( 986351 calls) PWSCF : 2m18.59s CPU 2m33.09s WALL This run was terminated on: 19:49: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=