Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:20 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: ./PdO.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 38 16 5 1878 522 90 Max 39 17 7 1885 551 95 Sum 1389 593 185 67733 19273 3323 bravais-lattice index = 14 lattice parameter (alat) = 5.6692 a.u. unit-cell volume = 315.8220 (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 = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.669178 celldm(2)= 1.000000 celldm(3)= 1.733333 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 1.733333 ) 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 0.576923 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pd 18.00 106.42000 Pd( 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= 464 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 2) = ( 0.0000000 0.0094340 -0.0000000), wk = 0.0021552 k( 3) = ( 0.0000000 0.0188679 -0.0000000), wk = 0.0021552 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0021552 k( 5) = ( 0.0000000 0.0377359 -0.0000000), wk = 0.0021552 k( 6) = ( 0.0000000 0.0471698 -0.0000000), wk = 0.0021552 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0021552 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0021552 k( 9) = ( 0.0000000 0.0754717 -0.0000000), wk = 0.0021552 k( 10) = ( 0.0000000 0.0849057 -0.0000000), wk = 0.0021552 k( 11) = ( 0.0000000 0.0943396 -0.0000000), wk = 0.0021552 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0021552 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0021552 k( 14) = ( 0.0000000 0.1226415 -0.0000000), wk = 0.0021552 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0021552 k( 16) = ( 0.0000000 0.1415094 -0.0000000), wk = 0.0021552 k( 17) = ( 0.0000000 0.1509434 -0.0000000), wk = 0.0021552 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0021552 k( 19) = ( 0.0000000 0.1698113 -0.0000000), wk = 0.0021552 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0021552 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0021552 k( 22) = ( 0.0000000 0.1981132 -0.0000000), wk = 0.0021552 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0021552 k( 24) = ( 0.0000000 0.2169811 -0.0000000), wk = 0.0021552 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0021552 k( 26) = ( 0.0000000 0.2358491 -0.0000000), wk = 0.0021552 k( 27) = ( 0.0000000 0.2452830 -0.0000000), wk = 0.0021552 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0021552 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0021552 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0021552 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0021552 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0021552 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0021552 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0021552 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0021552 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0021552 k( 37) = ( 0.0000000 0.3396226 -0.0000000), wk = 0.0021552 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0021552 k( 39) = ( 0.0000000 0.3584906 -0.0000000), wk = 0.0021552 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0021552 k( 41) = ( 0.0000000 0.3773585 -0.0000000), wk = 0.0021552 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0021552 k( 43) = ( 0.0000000 0.3962264 -0.0000000), wk = 0.0021552 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0021552 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0021552 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0021552 k( 47) = ( 0.0000000 0.4339623 -0.0000000), wk = 0.0021552 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0021552 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0021552 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0021552 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0021552 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0021552 k( 53) = ( 0.0000000 0.4905660 -0.0000000), wk = 0.0021552 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021552 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021552 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0021552 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0021552 k( 58) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0021552 k( 59) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0021552 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0021552 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0021552 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0021552 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0021552 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0021552 k( 65) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0021552 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0021552 k( 67) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0021552 k( 68) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0021552 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0021552 k( 70) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0021552 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0021552 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0021552 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0021552 k( 74) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0021552 k( 75) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0021552 k( 76) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0021552 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0021552 k( 78) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0021552 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0021552 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0021552 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0021552 k( 82) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0021552 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0021552 k( 84) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0021552 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0021552 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0021552 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0021552 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0021552 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0021552 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0021552 k( 91) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0021552 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0021552 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0021552 k( 94) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0021552 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0021552 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0021552 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0021552 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0021552 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0021552 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0021552 k( 101) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0021552 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0021552 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0021552 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0021552 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0021552 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0021552 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0021552 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021552 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021552 k( 110) = ( 0.4933333 0.4933333 -0.0000000), wk = 0.0021552 k( 111) = ( 0.4866667 0.4866667 -0.0000000), wk = 0.0021552 k( 112) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0021552 k( 113) = ( 0.4733333 0.4733333 -0.0000000), wk = 0.0021552 k( 114) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0021552 k( 115) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0021552 k( 116) = ( 0.4533333 0.4533333 -0.0000000), wk = 0.0021552 k( 117) = ( 0.4466667 0.4466667 -0.0000000), wk = 0.0021552 k( 118) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0021552 k( 119) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0021552 k( 120) = ( 0.4266667 0.4266667 -0.0000000), wk = 0.0021552 k( 121) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0021552 k( 122) = ( 0.4133333 0.4133333 -0.0000000), wk = 0.0021552 k( 123) = ( 0.4066667 0.4066667 -0.0000000), wk = 0.0021552 k( 124) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0021552 k( 125) = ( 0.3933333 0.3933333 -0.0000000), wk = 0.0021552 k( 126) = ( 0.3866667 0.3866667 -0.0000000), wk = 0.0021552 k( 127) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0021552 k( 128) = ( 0.3733333 0.3733333 -0.0000000), wk = 0.0021552 k( 129) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0021552 k( 130) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0021552 k( 131) = ( 0.3533333 0.3533333 -0.0000000), wk = 0.0021552 k( 132) = ( 0.3466667 0.3466667 -0.0000000), wk = 0.0021552 k( 133) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0021552 k( 134) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021552 k( 135) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0021552 k( 136) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0021552 k( 137) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0021552 k( 138) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0021552 k( 139) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021552 k( 140) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0021552 k( 141) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0021552 k( 142) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0021552 k( 143) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0021552 k( 144) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0021552 k( 145) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0021552 k( 146) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0021552 k( 147) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0021552 k( 148) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0021552 k( 149) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0021552 k( 150) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0021552 k( 151) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0021552 k( 152) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0021552 k( 153) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0021552 k( 154) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0021552 k( 155) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0021552 k( 156) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0021552 k( 157) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0021552 k( 158) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0021552 k( 159) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0021552 k( 160) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0021552 k( 161) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0021552 k( 162) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0021552 k( 163) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0021552 k( 164) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0021552 k( 165) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0021552 k( 166) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0021552 k( 167) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0021552 k( 168) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0021552 k( 169) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0021552 k( 170) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0021552 k( 171) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0021552 k( 172) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0021552 k( 173) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0021552 k( 174) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0021552 k( 175) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0021552 k( 176) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0021552 k( 177) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0021552 k( 178) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0021552 k( 179) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0021552 k( 180) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0021552 k( 181) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0021552 k( 182) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0021552 k( 183) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0021552 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 186) = ( 0.0000000 0.0000000 0.0093052), wk = 0.0021552 k( 187) = ( 0.0000000 0.0000000 0.0186104), wk = 0.0021552 k( 188) = ( 0.0000000 0.0000000 0.0279156), wk = 0.0021552 k( 189) = ( 0.0000000 0.0000000 0.0372208), wk = 0.0021552 k( 190) = ( 0.0000000 0.0000000 0.0465261), wk = 0.0021552 k( 191) = ( 0.0000000 0.0000000 0.0558313), wk = 0.0021552 k( 192) = ( 0.0000000 0.0000000 0.0651365), wk = 0.0021552 k( 193) = ( 0.0000000 0.0000000 0.0744417), wk = 0.0021552 k( 194) = ( 0.0000000 0.0000000 0.0837469), wk = 0.0021552 k( 195) = ( 0.0000000 0.0000000 0.0930521), wk = 0.0021552 k( 196) = ( 0.0000000 0.0000000 0.1023573), wk = 0.0021552 k( 197) = ( 0.0000000 0.0000000 0.1116625), wk = 0.0021552 k( 198) = ( 0.0000000 0.0000000 0.1209677), wk = 0.0021552 k( 199) = ( 0.0000000 0.0000000 0.1302730), wk = 0.0021552 k( 200) = ( 0.0000000 0.0000000 0.1395782), wk = 0.0021552 k( 201) = ( 0.0000000 0.0000000 0.1488834), wk = 0.0021552 k( 202) = ( 0.0000000 0.0000000 0.1581886), wk = 0.0021552 k( 203) = ( 0.0000000 0.0000000 0.1674938), wk = 0.0021552 k( 204) = ( 0.0000000 0.0000000 0.1767990), wk = 0.0021552 k( 205) = ( 0.0000000 0.0000000 0.1861042), wk = 0.0021552 k( 206) = ( 0.0000000 0.0000000 0.1954094), wk = 0.0021552 k( 207) = ( 0.0000000 0.0000000 0.2047146), wk = 0.0021552 k( 208) = ( 0.0000000 0.0000000 0.2140199), wk = 0.0021552 k( 209) = ( 0.0000000 0.0000000 0.2233251), wk = 0.0021552 k( 210) = ( 0.0000000 0.0000000 0.2326303), wk = 0.0021552 k( 211) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0021552 k( 212) = ( 0.0000000 0.0000000 0.2512407), wk = 0.0021552 k( 213) = ( 0.0000000 0.0000000 0.2605459), wk = 0.0021552 k( 214) = ( 0.0000000 0.0000000 0.2698511), wk = 0.0021552 k( 215) = ( 0.0000000 0.0000000 0.2791563), wk = 0.0021552 k( 216) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0021552 k( 217) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0021552 k( 218) = ( 0.0000000 0.0094340 0.2884615), wk = 0.0021552 k( 219) = ( 0.0000000 0.0188679 0.2884615), wk = 0.0021552 k( 220) = ( 0.0000000 0.0283019 0.2884615), wk = 0.0021552 k( 221) = ( 0.0000000 0.0377359 0.2884615), wk = 0.0021552 k( 222) = ( 0.0000000 0.0471698 0.2884615), wk = 0.0021552 k( 223) = ( 0.0000000 0.0566038 0.2884615), wk = 0.0021552 k( 224) = ( 0.0000000 0.0660377 0.2884615), wk = 0.0021552 k( 225) = ( 0.0000000 0.0754717 0.2884615), wk = 0.0021552 k( 226) = ( 0.0000000 0.0849057 0.2884615), wk = 0.0021552 k( 227) = ( 0.0000000 0.0943396 0.2884615), wk = 0.0021552 k( 228) = ( 0.0000000 0.1037736 0.2884615), wk = 0.0021552 k( 229) = ( 0.0000000 0.1132076 0.2884615), wk = 0.0021552 k( 230) = ( 0.0000000 0.1226415 0.2884615), wk = 0.0021552 k( 231) = ( 0.0000000 0.1320755 0.2884615), wk = 0.0021552 k( 232) = ( 0.0000000 0.1415094 0.2884615), wk = 0.0021552 k( 233) = ( 0.0000000 0.1509434 0.2884615), wk = 0.0021552 k( 234) = ( 0.0000000 0.1603774 0.2884615), wk = 0.0021552 k( 235) = ( 0.0000000 0.1698113 0.2884615), wk = 0.0021552 k( 236) = ( 0.0000000 0.1792453 0.2884615), wk = 0.0021552 k( 237) = ( 0.0000000 0.1886792 0.2884615), wk = 0.0021552 k( 238) = ( 0.0000000 0.1981132 0.2884615), wk = 0.0021552 k( 239) = ( 0.0000000 0.2075472 0.2884615), wk = 0.0021552 k( 240) = ( 0.0000000 0.2169811 0.2884615), wk = 0.0021552 k( 241) = ( 0.0000000 0.2264151 0.2884615), wk = 0.0021552 k( 242) = ( 0.0000000 0.2358491 0.2884615), wk = 0.0021552 k( 243) = ( 0.0000000 0.2452830 0.2884615), wk = 0.0021552 k( 244) = ( 0.0000000 0.2547170 0.2884615), wk = 0.0021552 k( 245) = ( 0.0000000 0.2641509 0.2884615), wk = 0.0021552 k( 246) = ( 0.0000000 0.2735849 0.2884615), wk = 0.0021552 k( 247) = ( 0.0000000 0.2830189 0.2884615), wk = 0.0021552 k( 248) = ( 0.0000000 0.2924528 0.2884615), wk = 0.0021552 k( 249) = ( 0.0000000 0.3018868 0.2884615), wk = 0.0021552 k( 250) = ( 0.0000000 0.3113207 0.2884615), wk = 0.0021552 k( 251) = ( 0.0000000 0.3207547 0.2884615), wk = 0.0021552 k( 252) = ( 0.0000000 0.3301887 0.2884615), wk = 0.0021552 k( 253) = ( 0.0000000 0.3396226 0.2884615), wk = 0.0021552 k( 254) = ( 0.0000000 0.3490566 0.2884615), wk = 0.0021552 k( 255) = ( 0.0000000 0.3584906 0.2884615), wk = 0.0021552 k( 256) = ( 0.0000000 0.3679245 0.2884615), wk = 0.0021552 k( 257) = ( 0.0000000 0.3773585 0.2884615), wk = 0.0021552 k( 258) = ( 0.0000000 0.3867925 0.2884615), wk = 0.0021552 k( 259) = ( 0.0000000 0.3962264 0.2884615), wk = 0.0021552 k( 260) = ( 0.0000000 0.4056604 0.2884615), wk = 0.0021552 k( 261) = ( 0.0000000 0.4150943 0.2884615), wk = 0.0021552 k( 262) = ( 0.0000000 0.4245283 0.2884615), wk = 0.0021552 k( 263) = ( 0.0000000 0.4339623 0.2884615), wk = 0.0021552 k( 264) = ( 0.0000000 0.4433962 0.2884615), wk = 0.0021552 k( 265) = ( 0.0000000 0.4528302 0.2884615), wk = 0.0021552 k( 266) = ( 0.0000000 0.4622641 0.2884615), wk = 0.0021552 k( 267) = ( 0.0000000 0.4716981 0.2884615), wk = 0.0021552 k( 268) = ( 0.0000000 0.4811321 0.2884615), wk = 0.0021552 k( 269) = ( 0.0000000 0.4905660 0.2884615), wk = 0.0021552 k( 270) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0021552 k( 271) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0021552 k( 272) = ( 0.0094340 0.5000000 0.2884615), wk = 0.0021552 k( 273) = ( 0.0188679 0.5000000 0.2884615), wk = 0.0021552 k( 274) = ( 0.0283019 0.5000000 0.2884615), wk = 0.0021552 k( 275) = ( 0.0377359 0.5000000 0.2884615), wk = 0.0021552 k( 276) = ( 0.0471698 0.5000000 0.2884615), wk = 0.0021552 k( 277) = ( 0.0566038 0.5000000 0.2884615), wk = 0.0021552 k( 278) = ( 0.0660377 0.5000000 0.2884615), wk = 0.0021552 k( 279) = ( 0.0754717 0.5000000 0.2884615), wk = 0.0021552 k( 280) = ( 0.0849057 0.5000000 0.2884615), wk = 0.0021552 k( 281) = ( 0.0943396 0.5000000 0.2884615), wk = 0.0021552 k( 282) = ( 0.1037736 0.5000000 0.2884615), wk = 0.0021552 k( 283) = ( 0.1132076 0.5000000 0.2884615), wk = 0.0021552 k( 284) = ( 0.1226415 0.5000000 0.2884615), wk = 0.0021552 k( 285) = ( 0.1320755 0.5000000 0.2884615), wk = 0.0021552 k( 286) = ( 0.1415094 0.5000000 0.2884615), wk = 0.0021552 k( 287) = ( 0.1509434 0.5000000 0.2884615), wk = 0.0021552 k( 288) = ( 0.1603774 0.5000000 0.2884615), wk = 0.0021552 k( 289) = ( 0.1698113 0.5000000 0.2884615), wk = 0.0021552 k( 290) = ( 0.1792453 0.5000000 0.2884615), wk = 0.0021552 k( 291) = ( 0.1886792 0.5000000 0.2884615), wk = 0.0021552 k( 292) = ( 0.1981132 0.5000000 0.2884615), wk = 0.0021552 k( 293) = ( 0.2075472 0.5000000 0.2884615), wk = 0.0021552 k( 294) = ( 0.2169811 0.5000000 0.2884615), wk = 0.0021552 k( 295) = ( 0.2264151 0.5000000 0.2884615), wk = 0.0021552 k( 296) = ( 0.2358491 0.5000000 0.2884615), wk = 0.0021552 k( 297) = ( 0.2452830 0.5000000 0.2884615), wk = 0.0021552 k( 298) = ( 0.2547170 0.5000000 0.2884615), wk = 0.0021552 k( 299) = ( 0.2641509 0.5000000 0.2884615), wk = 0.0021552 k( 300) = ( 0.2735849 0.5000000 0.2884615), wk = 0.0021552 k( 301) = ( 0.2830189 0.5000000 0.2884615), wk = 0.0021552 k( 302) = ( 0.2924528 0.5000000 0.2884615), wk = 0.0021552 k( 303) = ( 0.3018868 0.5000000 0.2884615), wk = 0.0021552 k( 304) = ( 0.3113207 0.5000000 0.2884615), wk = 0.0021552 k( 305) = ( 0.3207547 0.5000000 0.2884615), wk = 0.0021552 k( 306) = ( 0.3301887 0.5000000 0.2884615), wk = 0.0021552 k( 307) = ( 0.3396226 0.5000000 0.2884615), wk = 0.0021552 k( 308) = ( 0.3490566 0.5000000 0.2884615), wk = 0.0021552 k( 309) = ( 0.3584906 0.5000000 0.2884615), wk = 0.0021552 k( 310) = ( 0.3679245 0.5000000 0.2884615), wk = 0.0021552 k( 311) = ( 0.3773585 0.5000000 0.2884615), wk = 0.0021552 k( 312) = ( 0.3867925 0.5000000 0.2884615), wk = 0.0021552 k( 313) = ( 0.3962264 0.5000000 0.2884615), wk = 0.0021552 k( 314) = ( 0.4056604 0.5000000 0.2884615), wk = 0.0021552 k( 315) = ( 0.4150943 0.5000000 0.2884615), wk = 0.0021552 k( 316) = ( 0.4245283 0.5000000 0.2884615), wk = 0.0021552 k( 317) = ( 0.4339623 0.5000000 0.2884615), wk = 0.0021552 k( 318) = ( 0.4433962 0.5000000 0.2884615), wk = 0.0021552 k( 319) = ( 0.4528302 0.5000000 0.2884615), wk = 0.0021552 k( 320) = ( 0.4622641 0.5000000 0.2884615), wk = 0.0021552 k( 321) = ( 0.4716981 0.5000000 0.2884615), wk = 0.0021552 k( 322) = ( 0.4811321 0.5000000 0.2884615), wk = 0.0021552 k( 323) = ( 0.4905660 0.5000000 0.2884615), wk = 0.0021552 k( 324) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0021552 k( 325) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0021552 k( 326) = ( 0.4933333 0.4933333 0.2884615), wk = 0.0021552 k( 327) = ( 0.4866667 0.4866667 0.2884615), wk = 0.0021552 k( 328) = ( 0.4800000 0.4800000 0.2884615), wk = 0.0021552 k( 329) = ( 0.4733333 0.4733333 0.2884615), wk = 0.0021552 k( 330) = ( 0.4666667 0.4666667 0.2884615), wk = 0.0021552 k( 331) = ( 0.4600000 0.4600000 0.2884615), wk = 0.0021552 k( 332) = ( 0.4533333 0.4533333 0.2884615), wk = 0.0021552 k( 333) = ( 0.4466667 0.4466667 0.2884615), wk = 0.0021552 k( 334) = ( 0.4400000 0.4400000 0.2884615), wk = 0.0021552 k( 335) = ( 0.4333333 0.4333333 0.2884615), wk = 0.0021552 k( 336) = ( 0.4266667 0.4266667 0.2884615), wk = 0.0021552 k( 337) = ( 0.4200000 0.4200000 0.2884615), wk = 0.0021552 k( 338) = ( 0.4133333 0.4133333 0.2884615), wk = 0.0021552 k( 339) = ( 0.4066667 0.4066667 0.2884615), wk = 0.0021552 k( 340) = ( 0.4000000 0.4000000 0.2884615), wk = 0.0021552 k( 341) = ( 0.3933333 0.3933333 0.2884615), wk = 0.0021552 k( 342) = ( 0.3866667 0.3866667 0.2884615), wk = 0.0021552 k( 343) = ( 0.3800000 0.3800000 0.2884615), wk = 0.0021552 k( 344) = ( 0.3733333 0.3733333 0.2884615), wk = 0.0021552 k( 345) = ( 0.3666667 0.3666667 0.2884615), wk = 0.0021552 k( 346) = ( 0.3600000 0.3600000 0.2884615), wk = 0.0021552 k( 347) = ( 0.3533333 0.3533333 0.2884615), wk = 0.0021552 k( 348) = ( 0.3466667 0.3466667 0.2884615), wk = 0.0021552 k( 349) = ( 0.3400000 0.3400000 0.2884615), wk = 0.0021552 k( 350) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0021552 k( 351) = ( 0.3266667 0.3266667 0.2884615), wk = 0.0021552 k( 352) = ( 0.3200000 0.3200000 0.2884615), wk = 0.0021552 k( 353) = ( 0.3133333 0.3133333 0.2884615), wk = 0.0021552 k( 354) = ( 0.3066667 0.3066667 0.2884615), wk = 0.0021552 k( 355) = ( 0.3000000 0.3000000 0.2884615), wk = 0.0021552 k( 356) = ( 0.2933333 0.2933333 0.2884615), wk = 0.0021552 k( 357) = ( 0.2866667 0.2866667 0.2884615), wk = 0.0021552 k( 358) = ( 0.2800000 0.2800000 0.2884615), wk = 0.0021552 k( 359) = ( 0.2733333 0.2733333 0.2884615), wk = 0.0021552 k( 360) = ( 0.2666667 0.2666667 0.2884615), wk = 0.0021552 k( 361) = ( 0.2600000 0.2600000 0.2884615), wk = 0.0021552 k( 362) = ( 0.2533333 0.2533333 0.2884615), wk = 0.0021552 k( 363) = ( 0.2466667 0.2466667 0.2884615), wk = 0.0021552 k( 364) = ( 0.2400000 0.2400000 0.2884615), wk = 0.0021552 k( 365) = ( 0.2333333 0.2333333 0.2884615), wk = 0.0021552 k( 366) = ( 0.2266667 0.2266667 0.2884615), wk = 0.0021552 k( 367) = ( 0.2200000 0.2200000 0.2884615), wk = 0.0021552 k( 368) = ( 0.2133333 0.2133333 0.2884615), wk = 0.0021552 k( 369) = ( 0.2066667 0.2066667 0.2884615), wk = 0.0021552 k( 370) = ( 0.2000000 0.2000000 0.2884615), wk = 0.0021552 k( 371) = ( 0.1933333 0.1933333 0.2884615), wk = 0.0021552 k( 372) = ( 0.1866667 0.1866667 0.2884615), wk = 0.0021552 k( 373) = ( 0.1800000 0.1800000 0.2884615), wk = 0.0021552 k( 374) = ( 0.1733333 0.1733333 0.2884615), wk = 0.0021552 k( 375) = ( 0.1666667 0.1666667 0.2884615), wk = 0.0021552 k( 376) = ( 0.1600000 0.1600000 0.2884615), wk = 0.0021552 k( 377) = ( 0.1533333 0.1533333 0.2884615), wk = 0.0021552 k( 378) = ( 0.1466667 0.1466667 0.2884615), wk = 0.0021552 k( 379) = ( 0.1400000 0.1400000 0.2884615), wk = 0.0021552 k( 380) = ( 0.1333333 0.1333333 0.2884615), wk = 0.0021552 k( 381) = ( 0.1266667 0.1266667 0.2884615), wk = 0.0021552 k( 382) = ( 0.1200000 0.1200000 0.2884615), wk = 0.0021552 k( 383) = ( 0.1133333 0.1133333 0.2884615), wk = 0.0021552 k( 384) = ( 0.1066667 0.1066667 0.2884615), wk = 0.0021552 k( 385) = ( 0.1000000 0.1000000 0.2884615), wk = 0.0021552 k( 386) = ( 0.0933333 0.0933333 0.2884615), wk = 0.0021552 k( 387) = ( 0.0866667 0.0866667 0.2884615), wk = 0.0021552 k( 388) = ( 0.0800000 0.0800000 0.2884615), wk = 0.0021552 k( 389) = ( 0.0733333 0.0733333 0.2884615), wk = 0.0021552 k( 390) = ( 0.0666667 0.0666667 0.2884615), wk = 0.0021552 k( 391) = ( 0.0600000 0.0600000 0.2884615), wk = 0.0021552 k( 392) = ( 0.0533333 0.0533333 0.2884615), wk = 0.0021552 k( 393) = ( 0.0466667 0.0466667 0.2884615), wk = 0.0021552 k( 394) = ( 0.0400000 0.0400000 0.2884615), wk = 0.0021552 k( 395) = ( 0.0333333 0.0333333 0.2884615), wk = 0.0021552 k( 396) = ( 0.0266667 0.0266667 0.2884615), wk = 0.0021552 k( 397) = ( 0.0200000 0.0200000 0.2884615), wk = 0.0021552 k( 398) = ( 0.0133333 0.0133333 0.2884615), wk = 0.0021552 k( 399) = ( 0.0066667 0.0066667 0.2884615), wk = 0.0021552 k( 400) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0021552 k( 401) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021552 k( 402) = ( 0.0000000 0.5000000 0.0093052), wk = 0.0021552 k( 403) = ( 0.0000000 0.5000000 0.0186104), wk = 0.0021552 k( 404) = ( 0.0000000 0.5000000 0.0279156), wk = 0.0021552 k( 405) = ( 0.0000000 0.5000000 0.0372208), wk = 0.0021552 k( 406) = ( 0.0000000 0.5000000 0.0465261), wk = 0.0021552 k( 407) = ( 0.0000000 0.5000000 0.0558313), wk = 0.0021552 k( 408) = ( 0.0000000 0.5000000 0.0651365), wk = 0.0021552 k( 409) = ( 0.0000000 0.5000000 0.0744417), wk = 0.0021552 k( 410) = ( 0.0000000 0.5000000 0.0837469), wk = 0.0021552 k( 411) = ( 0.0000000 0.5000000 0.0930521), wk = 0.0021552 k( 412) = ( 0.0000000 0.5000000 0.1023573), wk = 0.0021552 k( 413) = ( 0.0000000 0.5000000 0.1116625), wk = 0.0021552 k( 414) = ( 0.0000000 0.5000000 0.1209677), wk = 0.0021552 k( 415) = ( 0.0000000 0.5000000 0.1302730), wk = 0.0021552 k( 416) = ( 0.0000000 0.5000000 0.1395782), wk = 0.0021552 k( 417) = ( 0.0000000 0.5000000 0.1488834), wk = 0.0021552 k( 418) = ( 0.0000000 0.5000000 0.1581886), wk = 0.0021552 k( 419) = ( 0.0000000 0.5000000 0.1674938), wk = 0.0021552 k( 420) = ( 0.0000000 0.5000000 0.1767990), wk = 0.0021552 k( 421) = ( 0.0000000 0.5000000 0.1861042), wk = 0.0021552 k( 422) = ( 0.0000000 0.5000000 0.1954094), wk = 0.0021552 k( 423) = ( 0.0000000 0.5000000 0.2047146), wk = 0.0021552 k( 424) = ( 0.0000000 0.5000000 0.2140198), wk = 0.0021552 k( 425) = ( 0.0000000 0.5000000 0.2233251), wk = 0.0021552 k( 426) = ( 0.0000000 0.5000000 0.2326303), wk = 0.0021552 k( 427) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0021552 k( 428) = ( 0.0000000 0.5000000 0.2512407), wk = 0.0021552 k( 429) = ( 0.0000000 0.5000000 0.2605459), wk = 0.0021552 k( 430) = ( 0.0000000 0.5000000 0.2698511), wk = 0.0021552 k( 431) = ( 0.0000000 0.5000000 0.2791563), wk = 0.0021552 k( 432) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0021552 k( 433) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021552 k( 434) = ( 0.5000000 0.5000000 0.0093052), wk = 0.0021552 k( 435) = ( 0.5000000 0.5000000 0.0186104), wk = 0.0021552 k( 436) = ( 0.5000000 0.5000000 0.0279156), wk = 0.0021552 k( 437) = ( 0.5000000 0.5000000 0.0372208), wk = 0.0021552 k( 438) = ( 0.5000000 0.5000000 0.0465261), wk = 0.0021552 k( 439) = ( 0.5000000 0.5000000 0.0558313), wk = 0.0021552 k( 440) = ( 0.5000000 0.5000000 0.0651365), wk = 0.0021552 k( 441) = ( 0.5000000 0.5000000 0.0744417), wk = 0.0021552 k( 442) = ( 0.5000000 0.5000000 0.0837469), wk = 0.0021552 k( 443) = ( 0.5000000 0.5000000 0.0930521), wk = 0.0021552 k( 444) = ( 0.5000000 0.5000000 0.1023573), wk = 0.0021552 k( 445) = ( 0.5000000 0.5000000 0.1116625), wk = 0.0021552 k( 446) = ( 0.5000000 0.5000000 0.1209677), wk = 0.0021552 k( 447) = ( 0.5000000 0.5000000 0.1302730), wk = 0.0021552 k( 448) = ( 0.5000000 0.5000000 0.1395782), wk = 0.0021552 k( 449) = ( 0.5000000 0.5000000 0.1488834), wk = 0.0021552 k( 450) = ( 0.5000000 0.5000000 0.1581886), wk = 0.0021552 k( 451) = ( 0.5000000 0.5000000 0.1674938), wk = 0.0021552 k( 452) = ( 0.5000000 0.5000000 0.1767990), wk = 0.0021552 k( 453) = ( 0.5000000 0.5000000 0.1861042), wk = 0.0021552 k( 454) = ( 0.5000000 0.5000000 0.1954094), wk = 0.0021552 k( 455) = ( 0.5000000 0.5000000 0.2047146), wk = 0.0021552 k( 456) = ( 0.5000000 0.5000000 0.2140198), wk = 0.0021552 k( 457) = ( 0.5000000 0.5000000 0.2233251), wk = 0.0021552 k( 458) = ( 0.5000000 0.5000000 0.2326303), wk = 0.0021552 k( 459) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0021552 k( 460) = ( 0.5000000 0.5000000 0.2512407), wk = 0.0021552 k( 461) = ( 0.5000000 0.5000000 0.2605459), wk = 0.0021552 k( 462) = ( 0.5000000 0.5000000 0.2698511), wk = 0.0021552 k( 463) = ( 0.5000000 0.5000000 0.2791563), wk = 0.0021552 k( 464) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0021552 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 2) = ( 0.0000000 0.0094340 0.0000000), wk = 0.0021552 k( 3) = ( 0.0000000 0.0188679 0.0000000), wk = 0.0021552 k( 4) = ( 0.0000000 0.0283019 0.0000000), wk = 0.0021552 k( 5) = ( 0.0000000 0.0377359 0.0000000), wk = 0.0021552 k( 6) = ( 0.0000000 0.0471698 0.0000000), wk = 0.0021552 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0021552 k( 8) = ( 0.0000000 0.0660377 0.0000000), wk = 0.0021552 k( 9) = ( 0.0000000 0.0754717 0.0000000), wk = 0.0021552 k( 10) = ( 0.0000000 0.0849057 0.0000000), wk = 0.0021552 k( 11) = ( 0.0000000 0.0943396 0.0000000), wk = 0.0021552 k( 12) = ( 0.0000000 0.1037736 0.0000000), wk = 0.0021552 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0021552 k( 14) = ( 0.0000000 0.1226415 0.0000000), wk = 0.0021552 k( 15) = ( 0.0000000 0.1320755 0.0000000), wk = 0.0021552 k( 16) = ( 0.0000000 0.1415094 0.0000000), wk = 0.0021552 k( 17) = ( 0.0000000 0.1509434 0.0000000), wk = 0.0021552 k( 18) = ( 0.0000000 0.1603774 0.0000000), wk = 0.0021552 k( 19) = ( 0.0000000 0.1698113 0.0000000), wk = 0.0021552 k( 20) = ( 0.0000000 0.1792453 0.0000000), wk = 0.0021552 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0021552 k( 22) = ( 0.0000000 0.1981132 0.0000000), wk = 0.0021552 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0021552 k( 24) = ( 0.0000000 0.2169811 0.0000000), wk = 0.0021552 k( 25) = ( 0.0000000 0.2264151 0.0000000), wk = 0.0021552 k( 26) = ( 0.0000000 0.2358491 0.0000000), wk = 0.0021552 k( 27) = ( 0.0000000 0.2452830 0.0000000), wk = 0.0021552 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0021552 k( 29) = ( 0.0000000 0.2641509 0.0000000), wk = 0.0021552 k( 30) = ( 0.0000000 0.2735849 0.0000000), wk = 0.0021552 k( 31) = ( 0.0000000 0.2830189 0.0000000), wk = 0.0021552 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0021552 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0021552 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0021552 k( 35) = ( 0.0000000 0.3207547 0.0000000), wk = 0.0021552 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0021552 k( 37) = ( 0.0000000 0.3396226 0.0000000), wk = 0.0021552 k( 38) = ( 0.0000000 0.3490566 0.0000000), wk = 0.0021552 k( 39) = ( 0.0000000 0.3584906 0.0000000), wk = 0.0021552 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0021552 k( 41) = ( 0.0000000 0.3773585 0.0000000), wk = 0.0021552 k( 42) = ( 0.0000000 0.3867925 0.0000000), wk = 0.0021552 k( 43) = ( 0.0000000 0.3962264 0.0000000), wk = 0.0021552 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0021552 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0021552 k( 46) = ( 0.0000000 0.4245283 0.0000000), wk = 0.0021552 k( 47) = ( 0.0000000 0.4339623 0.0000000), wk = 0.0021552 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0021552 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0021552 k( 50) = ( 0.0000000 0.4622641 0.0000000), wk = 0.0021552 k( 51) = ( 0.0000000 0.4716981 0.0000000), wk = 0.0021552 k( 52) = ( 0.0000000 0.4811321 0.0000000), wk = 0.0021552 k( 53) = ( 0.0000000 0.4905660 0.0000000), wk = 0.0021552 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 56) = ( 0.0094340 0.5000000 0.0000000), wk = 0.0021552 k( 57) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0021552 k( 58) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0021552 k( 59) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0021552 k( 60) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0021552 k( 61) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0021552 k( 62) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0021552 k( 63) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0021552 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0021552 k( 65) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0021552 k( 66) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0021552 k( 67) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0021552 k( 68) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0021552 k( 69) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0021552 k( 70) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0021552 k( 71) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0021552 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0021552 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0021552 k( 74) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0021552 k( 75) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0021552 k( 76) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0021552 k( 77) = ( 0.2075472 0.5000000 0.0000000), wk = 0.0021552 k( 78) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0021552 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0021552 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0021552 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0021552 k( 82) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0021552 k( 83) = ( 0.2641509 0.5000000 0.0000000), wk = 0.0021552 k( 84) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0021552 k( 85) = ( 0.2830189 0.5000000 0.0000000), wk = 0.0021552 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0021552 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0021552 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0021552 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0021552 k( 90) = ( 0.3301887 0.5000000 0.0000000), wk = 0.0021552 k( 91) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0021552 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0021552 k( 93) = ( 0.3584906 0.5000000 0.0000000), wk = 0.0021552 k( 94) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0021552 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0021552 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0021552 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0021552 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0021552 k( 99) = ( 0.4150943 0.5000000 0.0000000), wk = 0.0021552 k( 100) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0021552 k( 101) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0021552 k( 102) = ( 0.4433962 0.5000000 0.0000000), wk = 0.0021552 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0021552 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0021552 k( 105) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0021552 k( 106) = ( 0.4811321 0.5000000 0.0000000), wk = 0.0021552 k( 107) = ( 0.4905660 0.5000000 0.0000000), wk = 0.0021552 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 110) = ( 0.4933333 0.4933333 -0.0000000), wk = 0.0021552 k( 111) = ( 0.4866667 0.4866667 0.0000000), wk = 0.0021552 k( 112) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0021552 k( 113) = ( 0.4733333 0.4733333 0.0000000), wk = 0.0021552 k( 114) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0021552 k( 115) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0021552 k( 116) = ( 0.4533333 0.4533333 -0.0000000), wk = 0.0021552 k( 117) = ( 0.4466667 0.4466667 -0.0000000), wk = 0.0021552 k( 118) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0021552 k( 119) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0021552 k( 120) = ( 0.4266667 0.4266667 -0.0000000), wk = 0.0021552 k( 121) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0021552 k( 122) = ( 0.4133333 0.4133333 -0.0000000), wk = 0.0021552 k( 123) = ( 0.4066667 0.4066667 -0.0000000), wk = 0.0021552 k( 124) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0021552 k( 125) = ( 0.3933333 0.3933333 0.0000000), wk = 0.0021552 k( 126) = ( 0.3866667 0.3866667 -0.0000000), wk = 0.0021552 k( 127) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0021552 k( 128) = ( 0.3733333 0.3733333 -0.0000000), wk = 0.0021552 k( 129) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0021552 k( 130) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0021552 k( 131) = ( 0.3533333 0.3533333 -0.0000000), wk = 0.0021552 k( 132) = ( 0.3466667 0.3466667 -0.0000000), wk = 0.0021552 k( 133) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0021552 k( 134) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021552 k( 135) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0021552 k( 136) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0021552 k( 137) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0021552 k( 138) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0021552 k( 139) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021552 k( 140) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0021552 k( 141) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0021552 k( 142) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0021552 k( 143) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0021552 k( 144) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0021552 k( 145) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0021552 k( 146) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0021552 k( 147) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0021552 k( 148) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0021552 k( 149) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0021552 k( 150) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0021552 k( 151) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0021552 k( 152) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0021552 k( 153) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0021552 k( 154) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0021552 k( 155) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0021552 k( 156) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0021552 k( 157) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0021552 k( 158) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0021552 k( 159) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0021552 k( 160) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0021552 k( 161) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0021552 k( 162) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0021552 k( 163) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0021552 k( 164) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0021552 k( 165) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0021552 k( 166) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0021552 k( 167) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0021552 k( 168) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0021552 k( 169) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0021552 k( 170) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0021552 k( 171) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0021552 k( 172) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0021552 k( 173) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0021552 k( 174) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0021552 k( 175) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0021552 k( 176) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0021552 k( 177) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0021552 k( 178) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0021552 k( 179) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0021552 k( 180) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0021552 k( 181) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0021552 k( 182) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0021552 k( 183) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0021552 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 186) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0021552 k( 187) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0021552 k( 188) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0021552 k( 189) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0021552 k( 190) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0021552 k( 191) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0021552 k( 192) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0021552 k( 193) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0021552 k( 194) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0021552 k( 195) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0021552 k( 196) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0021552 k( 197) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0021552 k( 198) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0021552 k( 199) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0021552 k( 200) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0021552 k( 201) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0021552 k( 202) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0021552 k( 203) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0021552 k( 204) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0021552 k( 205) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0021552 k( 206) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0021552 k( 207) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0021552 k( 208) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0021552 k( 209) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0021552 k( 210) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0021552 k( 211) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0021552 k( 212) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0021552 k( 213) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0021552 k( 214) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0021552 k( 215) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0021552 k( 216) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 218) = ( 0.0000000 0.0094340 0.5000000), wk = 0.0021552 k( 219) = ( 0.0000000 0.0188679 0.5000000), wk = 0.0021552 k( 220) = ( 0.0000000 0.0283019 0.5000000), wk = 0.0021552 k( 221) = ( 0.0000000 0.0377359 0.5000000), wk = 0.0021552 k( 222) = ( 0.0000000 0.0471698 0.5000000), wk = 0.0021552 k( 223) = ( 0.0000000 0.0566038 0.5000000), wk = 0.0021552 k( 224) = ( 0.0000000 0.0660377 0.5000000), wk = 0.0021552 k( 225) = ( 0.0000000 0.0754717 0.5000000), wk = 0.0021552 k( 226) = ( 0.0000000 0.0849057 0.5000000), wk = 0.0021552 k( 227) = ( 0.0000000 0.0943396 0.5000000), wk = 0.0021552 k( 228) = ( 0.0000000 0.1037736 0.5000000), wk = 0.0021552 k( 229) = ( 0.0000000 0.1132076 0.5000000), wk = 0.0021552 k( 230) = ( 0.0000000 0.1226415 0.5000000), wk = 0.0021552 k( 231) = ( 0.0000000 0.1320755 0.5000000), wk = 0.0021552 k( 232) = ( 0.0000000 0.1415094 0.5000000), wk = 0.0021552 k( 233) = ( 0.0000000 0.1509434 0.5000000), wk = 0.0021552 k( 234) = ( 0.0000000 0.1603774 0.5000000), wk = 0.0021552 k( 235) = ( 0.0000000 0.1698113 0.5000000), wk = 0.0021552 k( 236) = ( 0.0000000 0.1792453 0.5000000), wk = 0.0021552 k( 237) = ( 0.0000000 0.1886792 0.5000000), wk = 0.0021552 k( 238) = ( 0.0000000 0.1981132 0.5000000), wk = 0.0021552 k( 239) = ( 0.0000000 0.2075472 0.5000000), wk = 0.0021552 k( 240) = ( 0.0000000 0.2169811 0.5000000), wk = 0.0021552 k( 241) = ( 0.0000000 0.2264151 0.5000000), wk = 0.0021552 k( 242) = ( 0.0000000 0.2358491 0.5000000), wk = 0.0021552 k( 243) = ( 0.0000000 0.2452830 0.5000000), wk = 0.0021552 k( 244) = ( 0.0000000 0.2547170 0.5000000), wk = 0.0021552 k( 245) = ( 0.0000000 0.2641509 0.5000000), wk = 0.0021552 k( 246) = ( 0.0000000 0.2735849 0.5000000), wk = 0.0021552 k( 247) = ( 0.0000000 0.2830189 0.5000000), wk = 0.0021552 k( 248) = ( 0.0000000 0.2924528 0.5000000), wk = 0.0021552 k( 249) = ( 0.0000000 0.3018868 0.5000000), wk = 0.0021552 k( 250) = ( 0.0000000 0.3113207 0.5000000), wk = 0.0021552 k( 251) = ( 0.0000000 0.3207547 0.5000000), wk = 0.0021552 k( 252) = ( 0.0000000 0.3301887 0.5000000), wk = 0.0021552 k( 253) = ( 0.0000000 0.3396226 0.5000000), wk = 0.0021552 k( 254) = ( 0.0000000 0.3490566 0.5000000), wk = 0.0021552 k( 255) = ( 0.0000000 0.3584906 0.5000000), wk = 0.0021552 k( 256) = ( 0.0000000 0.3679245 0.5000000), wk = 0.0021552 k( 257) = ( 0.0000000 0.3773585 0.5000000), wk = 0.0021552 k( 258) = ( 0.0000000 0.3867925 0.5000000), wk = 0.0021552 k( 259) = ( 0.0000000 0.3962264 0.5000000), wk = 0.0021552 k( 260) = ( 0.0000000 0.4056604 0.5000000), wk = 0.0021552 k( 261) = ( 0.0000000 0.4150943 0.5000000), wk = 0.0021552 k( 262) = ( 0.0000000 0.4245283 0.5000000), wk = 0.0021552 k( 263) = ( 0.0000000 0.4339623 0.5000000), wk = 0.0021552 k( 264) = ( 0.0000000 0.4433962 0.5000000), wk = 0.0021552 k( 265) = ( 0.0000000 0.4528302 0.5000000), wk = 0.0021552 k( 266) = ( 0.0000000 0.4622641 0.5000000), wk = 0.0021552 k( 267) = ( 0.0000000 0.4716981 0.5000000), wk = 0.0021552 k( 268) = ( 0.0000000 0.4811321 0.5000000), wk = 0.0021552 k( 269) = ( 0.0000000 0.4905660 0.5000000), wk = 0.0021552 k( 270) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021552 k( 271) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021552 k( 272) = ( 0.0094340 0.5000000 0.5000000), wk = 0.0021552 k( 273) = ( 0.0188679 0.5000000 0.5000000), wk = 0.0021552 k( 274) = ( 0.0283019 0.5000000 0.5000000), wk = 0.0021552 k( 275) = ( 0.0377359 0.5000000 0.5000000), wk = 0.0021552 k( 276) = ( 0.0471698 0.5000000 0.5000000), wk = 0.0021552 k( 277) = ( 0.0566038 0.5000000 0.5000000), wk = 0.0021552 k( 278) = ( 0.0660377 0.5000000 0.5000000), wk = 0.0021552 k( 279) = ( 0.0754717 0.5000000 0.5000000), wk = 0.0021552 k( 280) = ( 0.0849057 0.5000000 0.5000000), wk = 0.0021552 k( 281) = ( 0.0943396 0.5000000 0.5000000), wk = 0.0021552 k( 282) = ( 0.1037736 0.5000000 0.5000000), wk = 0.0021552 k( 283) = ( 0.1132076 0.5000000 0.5000000), wk = 0.0021552 k( 284) = ( 0.1226415 0.5000000 0.5000000), wk = 0.0021552 k( 285) = ( 0.1320755 0.5000000 0.5000000), wk = 0.0021552 k( 286) = ( 0.1415094 0.5000000 0.5000000), wk = 0.0021552 k( 287) = ( 0.1509434 0.5000000 0.5000000), wk = 0.0021552 k( 288) = ( 0.1603774 0.5000000 0.5000000), wk = 0.0021552 k( 289) = ( 0.1698113 0.5000000 0.5000000), wk = 0.0021552 k( 290) = ( 0.1792453 0.5000000 0.5000000), wk = 0.0021552 k( 291) = ( 0.1886792 0.5000000 0.5000000), wk = 0.0021552 k( 292) = ( 0.1981132 0.5000000 0.5000000), wk = 0.0021552 k( 293) = ( 0.2075472 0.5000000 0.5000000), wk = 0.0021552 k( 294) = ( 0.2169811 0.5000000 0.5000000), wk = 0.0021552 k( 295) = ( 0.2264151 0.5000000 0.5000000), wk = 0.0021552 k( 296) = ( 0.2358491 0.5000000 0.5000000), wk = 0.0021552 k( 297) = ( 0.2452830 0.5000000 0.5000000), wk = 0.0021552 k( 298) = ( 0.2547170 0.5000000 0.5000000), wk = 0.0021552 k( 299) = ( 0.2641509 0.5000000 0.5000000), wk = 0.0021552 k( 300) = ( 0.2735849 0.5000000 0.5000000), wk = 0.0021552 k( 301) = ( 0.2830189 0.5000000 0.5000000), wk = 0.0021552 k( 302) = ( 0.2924528 0.5000000 0.5000000), wk = 0.0021552 k( 303) = ( 0.3018868 0.5000000 0.5000000), wk = 0.0021552 k( 304) = ( 0.3113207 0.5000000 0.5000000), wk = 0.0021552 k( 305) = ( 0.3207547 0.5000000 0.5000000), wk = 0.0021552 k( 306) = ( 0.3301887 0.5000000 0.5000000), wk = 0.0021552 k( 307) = ( 0.3396226 0.5000000 0.5000000), wk = 0.0021552 k( 308) = ( 0.3490566 0.5000000 0.5000000), wk = 0.0021552 k( 309) = ( 0.3584906 0.5000000 0.5000000), wk = 0.0021552 k( 310) = ( 0.3679245 0.5000000 0.5000000), wk = 0.0021552 k( 311) = ( 0.3773585 0.5000000 0.5000000), wk = 0.0021552 k( 312) = ( 0.3867925 0.5000000 0.5000000), wk = 0.0021552 k( 313) = ( 0.3962264 0.5000000 0.5000000), wk = 0.0021552 k( 314) = ( 0.4056604 0.5000000 0.5000000), wk = 0.0021552 k( 315) = ( 0.4150943 0.5000000 0.5000000), wk = 0.0021552 k( 316) = ( 0.4245283 0.5000000 0.5000000), wk = 0.0021552 k( 317) = ( 0.4339623 0.5000000 0.5000000), wk = 0.0021552 k( 318) = ( 0.4433962 0.5000000 0.5000000), wk = 0.0021552 k( 319) = ( 0.4528302 0.5000000 0.5000000), wk = 0.0021552 k( 320) = ( 0.4622641 0.5000000 0.5000000), wk = 0.0021552 k( 321) = ( 0.4716981 0.5000000 0.5000000), wk = 0.0021552 k( 322) = ( 0.4811321 0.5000000 0.5000000), wk = 0.0021552 k( 323) = ( 0.4905660 0.5000000 0.5000000), wk = 0.0021552 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 k( 326) = ( 0.4933333 0.4933333 0.5000000), wk = 0.0021552 k( 327) = ( 0.4866667 0.4866667 0.5000000), wk = 0.0021552 k( 328) = ( 0.4800000 0.4800000 0.5000000), wk = 0.0021552 k( 329) = ( 0.4733333 0.4733333 0.5000000), wk = 0.0021552 k( 330) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0021552 k( 331) = ( 0.4600000 0.4600000 0.5000000), wk = 0.0021552 k( 332) = ( 0.4533333 0.4533333 0.5000000), wk = 0.0021552 k( 333) = ( 0.4466667 0.4466667 0.5000000), wk = 0.0021552 k( 334) = ( 0.4400000 0.4400000 0.5000000), wk = 0.0021552 k( 335) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0021552 k( 336) = ( 0.4266667 0.4266667 0.5000000), wk = 0.0021552 k( 337) = ( 0.4200000 0.4200000 0.5000000), wk = 0.0021552 k( 338) = ( 0.4133333 0.4133333 0.5000000), wk = 0.0021552 k( 339) = ( 0.4066667 0.4066667 0.5000000), wk = 0.0021552 k( 340) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0021552 k( 341) = ( 0.3933333 0.3933333 0.5000000), wk = 0.0021552 k( 342) = ( 0.3866667 0.3866667 0.5000000), wk = 0.0021552 k( 343) = ( 0.3800000 0.3800000 0.5000000), wk = 0.0021552 k( 344) = ( 0.3733333 0.3733333 0.5000000), wk = 0.0021552 k( 345) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0021552 k( 346) = ( 0.3600000 0.3600000 0.5000000), wk = 0.0021552 k( 347) = ( 0.3533333 0.3533333 0.5000000), wk = 0.0021552 k( 348) = ( 0.3466667 0.3466667 0.5000000), wk = 0.0021552 k( 349) = ( 0.3400000 0.3400000 0.5000000), wk = 0.0021552 k( 350) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021552 k( 351) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0021552 k( 352) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0021552 k( 353) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0021552 k( 354) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0021552 k( 355) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0021552 k( 356) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0021552 k( 357) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0021552 k( 358) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0021552 k( 359) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0021552 k( 360) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0021552 k( 361) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0021552 k( 362) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0021552 k( 363) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0021552 k( 364) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0021552 k( 365) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0021552 k( 366) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0021552 k( 367) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0021552 k( 368) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0021552 k( 369) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0021552 k( 370) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0021552 k( 371) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0021552 k( 372) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0021552 k( 373) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0021552 k( 374) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0021552 k( 375) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0021552 k( 376) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0021552 k( 377) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0021552 k( 378) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0021552 k( 379) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0021552 k( 380) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0021552 k( 381) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0021552 k( 382) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0021552 k( 383) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0021552 k( 384) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0021552 k( 385) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0021552 k( 386) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0021552 k( 387) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0021552 k( 388) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0021552 k( 389) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0021552 k( 390) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0021552 k( 391) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0021552 k( 392) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0021552 k( 393) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0021552 k( 394) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0021552 k( 395) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0021552 k( 396) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0021552 k( 397) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0021552 k( 398) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0021552 k( 399) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0021552 k( 400) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 401) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 402) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0021552 k( 403) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0021552 k( 404) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0021552 k( 405) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0021552 k( 406) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0021552 k( 407) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0021552 k( 408) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0021552 k( 409) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0021552 k( 410) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0021552 k( 411) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0021552 k( 412) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0021552 k( 413) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0021552 k( 414) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0021552 k( 415) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0021552 k( 416) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0021552 k( 417) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0021552 k( 418) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0021552 k( 419) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0021552 k( 420) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0021552 k( 421) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0021552 k( 422) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0021552 k( 423) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0021552 k( 424) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0021552 k( 425) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0021552 k( 426) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0021552 k( 427) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0021552 k( 428) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0021552 k( 429) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0021552 k( 430) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0021552 k( 431) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0021552 k( 432) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021552 k( 433) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 434) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0021552 k( 435) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0021552 k( 436) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0021552 k( 437) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0021552 k( 438) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0021552 k( 439) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0021552 k( 440) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0021552 k( 441) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0021552 k( 442) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0021552 k( 443) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0021552 k( 444) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0021552 k( 445) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0021552 k( 446) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0021552 k( 447) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0021552 k( 448) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0021552 k( 449) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0021552 k( 450) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0021552 k( 451) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0021552 k( 452) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0021552 k( 453) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0021552 k( 454) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0021552 k( 455) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0021552 k( 456) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0021552 k( 457) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0021552 k( 458) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0021552 k( 459) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0021552 k( 460) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0021552 k( 461) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0021552 k( 462) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0021552 k( 463) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0021552 k( 464) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 Dense grid: 67733 G-vectors FFT dimensions: ( 45, 45, 75) Smooth grid: 19273 G-vectors FFT dimensions: ( 27, 27, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 150, 32) NL pseudopotentials 0.05 Mb ( 75, 48) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1883) G-vector shells 0.01 Mb ( 870) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 150, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.05 Mb ( 48, 2, 32) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./PdO.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 4 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 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.8 secs Computing kpt #: 12 total cpu time spent up to now is 2.9 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.2 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.4 secs Computing kpt #: 17 total cpu time spent up to now is 3.5 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 4.0 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.6 secs Computing kpt #: 26 total cpu time spent up to now is 4.7 secs Computing kpt #: 27 total cpu time spent up to now is 4.8 secs Computing kpt #: 28 total cpu time spent up to now is 4.9 secs Computing kpt #: 29 total cpu time spent up to now is 5.1 secs Computing kpt #: 30 total cpu time spent up to now is 5.2 secs Computing kpt #: 31 total cpu time spent up to now is 5.3 secs Computing kpt #: 32 total cpu time spent up to now is 5.4 secs Computing kpt #: 33 total cpu time spent up to now is 5.5 secs Computing kpt #: 34 total cpu time spent up to now is 5.6 secs Computing kpt #: 35 total cpu time spent up to now is 5.8 secs Computing kpt #: 36 total cpu time spent up to now is 5.9 secs Computing kpt #: 37 total cpu time spent up to now is 6.0 secs Computing kpt #: 38 total cpu time spent up to now is 6.1 secs Computing kpt #: 39 total cpu time spent up to now is 6.2 secs Computing kpt #: 40 total cpu time spent up to now is 6.4 secs Computing kpt #: 41 total cpu time spent up to now is 6.5 secs Computing kpt #: 42 total cpu time spent up to now is 6.6 secs Computing kpt #: 43 total cpu time spent up to now is 6.7 secs Computing kpt #: 44 total cpu time spent up to now is 6.8 secs Computing kpt #: 45 total cpu time spent up to now is 7.0 secs Computing kpt #: 46 total cpu time spent up to now is 7.1 secs Computing kpt #: 47 total cpu time spent up to now is 7.2 secs Computing kpt #: 48 total cpu time spent up to now is 7.3 secs Computing kpt #: 49 total cpu time spent up to now is 7.5 secs Computing kpt #: 50 total cpu time spent up to now is 7.6 secs Computing kpt #: 51 total cpu time spent up to now is 7.7 secs Computing kpt #: 52 total cpu time spent up to now is 7.8 secs Computing kpt #: 53 total cpu time spent up to now is 8.0 secs Computing kpt #: 54 total cpu time spent up to now is 8.1 secs Computing kpt #: 55 total cpu time spent up to now is 8.2 secs Computing kpt #: 56 total cpu time spent up to now is 8.3 secs Computing kpt #: 57 total cpu time spent up to now is 8.5 secs Computing kpt #: 58 total cpu time spent up to now is 8.6 secs Computing kpt #: 59 total cpu time spent up to now is 8.7 secs Computing kpt #: 60 total cpu time spent up to now is 8.8 secs Computing kpt #: 61 total cpu time spent up to now is 8.9 secs Computing kpt #: 62 total cpu time spent up to now is 9.0 secs Computing kpt #: 63 total cpu time spent up to now is 9.2 secs Computing kpt #: 64 total cpu time spent up to now is 9.3 secs Computing kpt #: 65 total cpu time spent up to now is 9.4 secs Computing kpt #: 66 total cpu time spent up to now is 9.5 secs Computing kpt #: 67 total cpu time spent up to now is 9.6 secs Computing kpt #: 68 total cpu time spent up to now is 9.7 secs Computing kpt #: 69 total cpu time spent up to now is 9.9 secs Computing kpt #: 70 total cpu time spent up to now is 10.0 secs Computing kpt #: 71 total cpu time spent up to now is 10.1 secs Computing kpt #: 72 total cpu time spent up to now is 10.2 secs Computing kpt #: 73 total cpu time spent up to now is 10.3 secs Computing kpt #: 74 total cpu time spent up to now is 10.4 secs Computing kpt #: 75 total cpu time spent up to now is 10.6 secs Computing kpt #: 76 total cpu time spent up to now is 10.7 secs Computing kpt #: 77 total cpu time spent up to now is 10.8 secs Computing kpt #: 78 total cpu time spent up to now is 10.9 secs Computing kpt #: 79 total cpu time spent up to now is 11.0 secs Computing kpt #: 80 total cpu time spent up to now is 11.2 secs Computing kpt #: 81 total cpu time spent up to now is 11.3 secs Computing kpt #: 82 total cpu time spent up to now is 11.4 secs Computing kpt #: 83 total cpu time spent up to now is 11.5 secs Computing kpt #: 84 total cpu time spent up to now is 11.7 secs Computing kpt #: 85 total cpu time spent up to now is 11.8 secs Computing kpt #: 86 total cpu time spent up to now is 11.9 secs Computing kpt #: 87 total cpu time spent up to now is 12.1 secs Computing kpt #: 88 total cpu time spent up to now is 12.2 secs Computing kpt #: 89 total cpu time spent up to now is 12.4 secs Computing kpt #: 90 total cpu time spent up to now is 12.6 secs Computing kpt #: 91 total cpu time spent up to now is 12.8 secs Computing kpt #: 92 total cpu time spent up to now is 12.9 secs Computing kpt #: 93 total cpu time spent up to now is 13.1 secs Computing kpt #: 94 total cpu time spent up to now is 13.2 secs Computing kpt #: 95 total cpu time spent up to now is 13.3 secs Computing kpt #: 96 total cpu time spent up to now is 13.4 secs Computing kpt #: 97 total cpu time spent up to now is 13.6 secs Computing kpt #: 98 total cpu time spent up to now is 13.7 secs Computing kpt #: 99 total cpu time spent up to now is 13.8 secs Computing kpt #: 100 total cpu time spent up to now is 13.9 secs Computing kpt #: 101 total cpu time spent up to now is 14.0 secs Computing kpt #: 102 total cpu time spent up to now is 14.2 secs Computing kpt #: 103 total cpu time spent up to now is 14.3 secs Computing kpt #: 104 total cpu time spent up to now is 14.4 secs Computing kpt #: 105 total cpu time spent up to now is 14.5 secs Computing kpt #: 106 total cpu time spent up to now is 14.7 secs Computing kpt #: 107 total cpu time spent up to now is 14.8 secs Computing kpt #: 108 total cpu time spent up to now is 14.9 secs Computing kpt #: 109 total cpu time spent up to now is 15.0 secs Computing kpt #: 110 total cpu time spent up to now is 15.1 secs Computing kpt #: 111 total cpu time spent up to now is 15.2 secs Computing kpt #: 112 total cpu time spent up to now is 15.3 secs Computing kpt #: 113 total cpu time spent up to now is 15.5 secs Computing kpt #: 114 total cpu time spent up to now is 15.6 secs Computing kpt #: 115 total cpu time spent up to now is 15.7 secs Computing kpt #: 116 total cpu time spent up to now is 15.8 secs Computing kpt #: 117 total cpu time spent up to now is 16.0 secs Computing kpt #: 118 total cpu time spent up to now is 16.1 secs Computing kpt #: 119 total cpu time spent up to now is 16.2 secs Computing kpt #: 120 total cpu time spent up to now is 16.3 secs Computing kpt #: 121 total cpu time spent up to now is 16.4 secs Computing kpt #: 122 total cpu time spent up to now is 16.6 secs Computing kpt #: 123 total cpu time spent up to now is 16.7 secs Computing kpt #: 124 total cpu time spent up to now is 16.8 secs Computing kpt #: 125 total cpu time spent up to now is 16.9 secs Computing kpt #: 126 total cpu time spent up to now is 17.0 secs Computing kpt #: 127 total cpu time spent up to now is 17.2 secs Computing kpt #: 128 total cpu time spent up to now is 17.3 secs Computing kpt #: 129 total cpu time spent up to now is 17.5 secs Computing kpt #: 130 total cpu time spent up to now is 17.6 secs Computing kpt #: 131 total cpu time spent up to now is 17.8 secs Computing kpt #: 132 total cpu time spent up to now is 18.0 secs Computing kpt #: 133 total cpu time spent up to now is 18.1 secs Computing kpt #: 134 total cpu time spent up to now is 18.3 secs Computing kpt #: 135 total cpu time spent up to now is 18.4 secs Computing kpt #: 136 total cpu time spent up to now is 18.6 secs Computing kpt #: 137 total cpu time spent up to now is 18.8 secs Computing kpt #: 138 total cpu time spent up to now is 18.9 secs Computing kpt #: 139 total cpu time spent up to now is 19.0 secs Computing kpt #: 140 total cpu time spent up to now is 19.2 secs Computing kpt #: 141 total cpu time spent up to now is 19.3 secs Computing kpt #: 142 total cpu time spent up to now is 19.4 secs Computing kpt #: 143 total cpu time spent up to now is 19.6 secs Computing kpt #: 144 total cpu time spent up to now is 19.7 secs Computing kpt #: 145 total cpu time spent up to now is 19.8 secs Computing kpt #: 146 total cpu time spent up to now is 19.9 secs Computing kpt #: 147 total cpu time spent up to now is 20.0 secs Computing kpt #: 148 total cpu time spent up to now is 20.1 secs Computing kpt #: 149 total cpu time spent up to now is 20.3 secs Computing kpt #: 150 total cpu time spent up to now is 20.4 secs Computing kpt #: 151 total cpu time spent up to now is 20.5 secs Computing kpt #: 152 total cpu time spent up to now is 20.7 secs Computing kpt #: 153 total cpu time spent up to now is 20.9 secs Computing kpt #: 154 total cpu time spent up to now is 21.0 secs Computing kpt #: 155 total cpu time spent up to now is 21.2 secs Computing kpt #: 156 total cpu time spent up to now is 21.4 secs Computing kpt #: 157 total cpu time spent up to now is 21.5 secs Computing kpt #: 158 total cpu time spent up to now is 21.7 secs Computing kpt #: 159 total cpu time spent up to now is 21.8 secs Computing kpt #: 160 total cpu time spent up to now is 21.9 secs Computing kpt #: 161 total cpu time spent up to now is 22.0 secs Computing kpt #: 162 total cpu time spent up to now is 22.2 secs Computing kpt #: 163 total cpu time spent up to now is 22.3 secs Computing kpt #: 164 total cpu time spent up to now is 22.4 secs Computing kpt #: 165 total cpu time spent up to now is 22.5 secs Computing kpt #: 166 total cpu time spent up to now is 22.6 secs Computing kpt #: 167 total cpu time spent up to now is 22.8 secs Computing kpt #: 168 total cpu time spent up to now is 22.9 secs Computing kpt #: 169 total cpu time spent up to now is 23.0 secs Computing kpt #: 170 total cpu time spent up to now is 23.1 secs Computing kpt #: 171 total cpu time spent up to now is 23.2 secs Computing kpt #: 172 total cpu time spent up to now is 23.3 secs Computing kpt #: 173 total cpu time spent up to now is 23.4 secs Computing kpt #: 174 total cpu time spent up to now is 23.6 secs Computing kpt #: 175 total cpu time spent up to now is 23.7 secs Computing kpt #: 176 total cpu time spent up to now is 23.8 secs Computing kpt #: 177 total cpu time spent up to now is 23.9 secs Computing kpt #: 178 total cpu time spent up to now is 24.0 secs Computing kpt #: 179 total cpu time spent up to now is 24.1 secs Computing kpt #: 180 total cpu time spent up to now is 24.3 secs Computing kpt #: 181 total cpu time spent up to now is 24.4 secs Computing kpt #: 182 total cpu time spent up to now is 24.5 secs Computing kpt #: 183 total cpu time spent up to now is 24.6 secs Computing kpt #: 184 total cpu time spent up to now is 24.7 secs Computing kpt #: 185 total cpu time spent up to now is 24.8 secs Computing kpt #: 186 total cpu time spent up to now is 24.9 secs Computing kpt #: 187 total cpu time spent up to now is 25.0 secs Computing kpt #: 188 total cpu time spent up to now is 25.1 secs Computing kpt #: 189 total cpu time spent up to now is 25.3 secs Computing kpt #: 190 total cpu time spent up to now is 25.8 secs Computing kpt #: 191 total cpu time spent up to now is 26.0 secs Computing kpt #: 192 total cpu time spent up to now is 26.1 secs Computing kpt #: 193 total cpu time spent up to now is 26.2 secs Computing kpt #: 194 total cpu time spent up to now is 26.3 secs Computing kpt #: 195 total cpu time spent up to now is 26.4 secs Computing kpt #: 196 total cpu time spent up to now is 26.5 secs Computing kpt #: 197 total cpu time spent up to now is 26.7 secs Computing kpt #: 198 total cpu time spent up to now is 26.8 secs Computing kpt #: 199 total cpu time spent up to now is 26.9 secs Computing kpt #: 200 total cpu time spent up to now is 27.0 secs Computing kpt #: 201 total cpu time spent up to now is 27.1 secs Computing kpt #: 202 total cpu time spent up to now is 27.3 secs Computing kpt #: 203 total cpu time spent up to now is 27.4 secs Computing kpt #: 204 total cpu time spent up to now is 27.5 secs Computing kpt #: 205 total cpu time spent up to now is 27.7 secs Computing kpt #: 206 total cpu time spent up to now is 27.8 secs Computing kpt #: 207 total cpu time spent up to now is 27.9 secs Computing kpt #: 208 total cpu time spent up to now is 28.1 secs Computing kpt #: 209 total cpu time spent up to now is 28.2 secs Computing kpt #: 210 total cpu time spent up to now is 28.3 secs Computing kpt #: 211 total cpu time spent up to now is 28.5 secs Computing kpt #: 212 total cpu time spent up to now is 28.6 secs Computing kpt #: 213 total cpu time spent up to now is 28.7 secs Computing kpt #: 214 total cpu time spent up to now is 28.9 secs Computing kpt #: 215 total cpu time spent up to now is 29.0 secs Computing kpt #: 216 total cpu time spent up to now is 29.2 secs Computing kpt #: 217 total cpu time spent up to now is 29.3 secs Computing kpt #: 218 total cpu time spent up to now is 29.4 secs Computing kpt #: 219 total cpu time spent up to now is 29.6 secs Computing kpt #: 220 total cpu time spent up to now is 29.7 secs Computing kpt #: 221 total cpu time spent up to now is 29.9 secs Computing kpt #: 222 total cpu time spent up to now is 30.1 secs Computing kpt #: 223 total cpu time spent up to now is 30.2 secs Computing kpt #: 224 total cpu time spent up to now is 30.4 secs Computing kpt #: 225 total cpu time spent up to now is 30.5 secs Computing kpt #: 226 total cpu time spent up to now is 30.7 secs Computing kpt #: 227 total cpu time spent up to now is 30.9 secs Computing kpt #: 228 total cpu time spent up to now is 31.0 secs Computing kpt #: 229 total cpu time spent up to now is 31.2 secs Computing kpt #: 230 total cpu time spent up to now is 31.3 secs Computing kpt #: 231 total cpu time spent up to now is 31.5 secs Computing kpt #: 232 total cpu time spent up to now is 31.6 secs Computing kpt #: 233 total cpu time spent up to now is 31.7 secs Computing kpt #: 234 total cpu time spent up to now is 31.8 secs Computing kpt #: 235 total cpu time spent up to now is 32.0 secs Computing kpt #: 236 total cpu time spent up to now is 32.1 secs Computing kpt #: 237 total cpu time spent up to now is 32.2 secs Computing kpt #: 238 total cpu time spent up to now is 32.4 secs Computing kpt #: 239 total cpu time spent up to now is 32.5 secs Computing kpt #: 240 total cpu time spent up to now is 32.6 secs Computing kpt #: 241 total cpu time spent up to now is 32.7 secs Computing kpt #: 242 total cpu time spent up to now is 32.8 secs Computing kpt #: 243 total cpu time spent up to now is 33.0 secs Computing kpt #: 244 total cpu time spent up to now is 33.1 secs Computing kpt #: 245 total cpu time spent up to now is 33.2 secs Computing kpt #: 246 total cpu time spent up to now is 33.3 secs Computing kpt #: 247 total cpu time spent up to now is 33.4 secs Computing kpt #: 248 total cpu time spent up to now is 33.6 secs Computing kpt #: 249 total cpu time spent up to now is 33.7 secs Computing kpt #: 250 total cpu time spent up to now is 33.8 secs Computing kpt #: 251 total cpu time spent up to now is 33.9 secs Computing kpt #: 252 total cpu time spent up to now is 34.0 secs Computing kpt #: 253 total cpu time spent up to now is 34.1 secs Computing kpt #: 254 total cpu time spent up to now is 34.2 secs Computing kpt #: 255 total cpu time spent up to now is 34.4 secs Computing kpt #: 256 total cpu time spent up to now is 34.5 secs Computing kpt #: 257 total cpu time spent up to now is 34.6 secs Computing kpt #: 258 total cpu time spent up to now is 34.7 secs Computing kpt #: 259 total cpu time spent up to now is 34.8 secs Computing kpt #: 260 total cpu time spent up to now is 34.9 secs Computing kpt #: 261 total cpu time spent up to now is 35.0 secs Computing kpt #: 262 total cpu time spent up to now is 35.2 secs Computing kpt #: 263 total cpu time spent up to now is 35.3 secs Computing kpt #: 264 total cpu time spent up to now is 35.4 secs Computing kpt #: 265 total cpu time spent up to now is 35.5 secs Computing kpt #: 266 total cpu time spent up to now is 35.6 secs Computing kpt #: 267 total cpu time spent up to now is 35.7 secs Computing kpt #: 268 total cpu time spent up to now is 35.8 secs Computing kpt #: 269 total cpu time spent up to now is 35.9 secs Computing kpt #: 270 total cpu time spent up to now is 36.1 secs Computing kpt #: 271 total cpu time spent up to now is 36.2 secs Computing kpt #: 272 total cpu time spent up to now is 36.3 secs Computing kpt #: 273 total cpu time spent up to now is 36.4 secs Computing kpt #: 274 total cpu time spent up to now is 36.5 secs Computing kpt #: 275 total cpu time spent up to now is 36.6 secs Computing kpt #: 276 total cpu time spent up to now is 36.7 secs Computing kpt #: 277 total cpu time spent up to now is 36.8 secs Computing kpt #: 278 total cpu time spent up to now is 36.9 secs Computing kpt #: 279 total cpu time spent up to now is 37.0 secs Computing kpt #: 280 total cpu time spent up to now is 37.2 secs Computing kpt #: 281 total cpu time spent up to now is 37.3 secs Computing kpt #: 282 total cpu time spent up to now is 37.4 secs Computing kpt #: 283 total cpu time spent up to now is 37.5 secs Computing kpt #: 284 total cpu time spent up to now is 37.6 secs Computing kpt #: 285 total cpu time spent up to now is 37.7 secs Computing kpt #: 286 total cpu time spent up to now is 37.9 secs Computing kpt #: 287 total cpu time spent up to now is 38.0 secs Computing kpt #: 288 total cpu time spent up to now is 38.1 secs Computing kpt #: 289 total cpu time spent up to now is 38.2 secs Computing kpt #: 290 total cpu time spent up to now is 38.3 secs Computing kpt #: 291 total cpu time spent up to now is 38.4 secs Computing kpt #: 292 total cpu time spent up to now is 38.6 secs Computing kpt #: 293 total cpu time spent up to now is 38.7 secs Computing kpt #: 294 total cpu time spent up to now is 38.8 secs Computing kpt #: 295 total cpu time spent up to now is 38.9 secs Computing kpt #: 296 total cpu time spent up to now is 39.0 secs Computing kpt #: 297 total cpu time spent up to now is 39.1 secs Computing kpt #: 298 total cpu time spent up to now is 39.3 secs Computing kpt #: 299 total cpu time spent up to now is 39.4 secs Computing kpt #: 300 total cpu time spent up to now is 39.5 secs Computing kpt #: 301 total cpu time spent up to now is 39.6 secs Computing kpt #: 302 total cpu time spent up to now is 39.7 secs Computing kpt #: 303 total cpu time spent up to now is 39.9 secs Computing kpt #: 304 total cpu time spent up to now is 40.0 secs Computing kpt #: 305 total cpu time spent up to now is 40.1 secs Computing kpt #: 306 total cpu time spent up to now is 40.2 secs Computing kpt #: 307 total cpu time spent up to now is 40.4 secs Computing kpt #: 308 total cpu time spent up to now is 40.5 secs Computing kpt #: 309 total cpu time spent up to now is 40.6 secs Computing kpt #: 310 total cpu time spent up to now is 40.8 secs Computing kpt #: 311 total cpu time spent up to now is 41.0 secs Computing kpt #: 312 total cpu time spent up to now is 41.1 secs Computing kpt #: 313 total cpu time spent up to now is 41.2 secs Computing kpt #: 314 total cpu time spent up to now is 41.4 secs Computing kpt #: 315 total cpu time spent up to now is 41.5 secs Computing kpt #: 316 total cpu time spent up to now is 41.7 secs Computing kpt #: 317 total cpu time spent up to now is 41.8 secs Computing kpt #: 318 total cpu time spent up to now is 42.0 secs Computing kpt #: 319 total cpu time spent up to now is 42.1 secs Computing kpt #: 320 total cpu time spent up to now is 42.3 secs Computing kpt #: 321 total cpu time spent up to now is 42.4 secs Computing kpt #: 322 total cpu time spent up to now is 42.5 secs Computing kpt #: 323 total cpu time spent up to now is 42.6 secs Computing kpt #: 324 total cpu time spent up to now is 42.8 secs Computing kpt #: 325 total cpu time spent up to now is 42.9 secs Computing kpt #: 326 total cpu time spent up to now is 43.0 secs Computing kpt #: 327 total cpu time spent up to now is 43.1 secs Computing kpt #: 328 total cpu time spent up to now is 43.3 secs Computing kpt #: 329 total cpu time spent up to now is 43.4 secs Computing kpt #: 330 total cpu time spent up to now is 43.5 secs Computing kpt #: 331 total cpu time spent up to now is 43.7 secs Computing kpt #: 332 total cpu time spent up to now is 43.8 secs Computing kpt #: 333 total cpu time spent up to now is 44.0 secs Computing kpt #: 334 total cpu time spent up to now is 44.2 secs Computing kpt #: 335 total cpu time spent up to now is 44.3 secs Computing kpt #: 336 total cpu time spent up to now is 44.5 secs Computing kpt #: 337 total cpu time spent up to now is 44.6 secs Computing kpt #: 338 total cpu time spent up to now is 44.8 secs Computing kpt #: 339 total cpu time spent up to now is 44.9 secs Computing kpt #: 340 total cpu time spent up to now is 45.1 secs Computing kpt #: 341 total cpu time spent up to now is 45.3 secs Computing kpt #: 342 total cpu time spent up to now is 45.4 secs Computing kpt #: 343 total cpu time spent up to now is 45.6 secs Computing kpt #: 344 total cpu time spent up to now is 45.7 secs Computing kpt #: 345 total cpu time spent up to now is 45.8 secs Computing kpt #: 346 total cpu time spent up to now is 46.0 secs Computing kpt #: 347 total cpu time spent up to now is 46.1 secs Computing kpt #: 348 total cpu time spent up to now is 46.2 secs Computing kpt #: 349 total cpu time spent up to now is 46.4 secs Computing kpt #: 350 total cpu time spent up to now is 46.5 secs Computing kpt #: 351 total cpu time spent up to now is 46.6 secs Computing kpt #: 352 total cpu time spent up to now is 46.8 secs Computing kpt #: 353 total cpu time spent up to now is 46.9 secs Computing kpt #: 354 total cpu time spent up to now is 47.0 secs Computing kpt #: 355 total cpu time spent up to now is 47.1 secs Computing kpt #: 356 total cpu time spent up to now is 47.2 secs Computing kpt #: 357 total cpu time spent up to now is 47.4 secs Computing kpt #: 358 total cpu time spent up to now is 47.5 secs Computing kpt #: 359 total cpu time spent up to now is 47.6 secs Computing kpt #: 360 total cpu time spent up to now is 47.7 secs Computing kpt #: 361 total cpu time spent up to now is 47.8 secs Computing kpt #: 362 total cpu time spent up to now is 47.9 secs Computing kpt #: 363 total cpu time spent up to now is 48.1 secs Computing kpt #: 364 total cpu time spent up to now is 48.2 secs Computing kpt #: 365 total cpu time spent up to now is 48.3 secs Computing kpt #: 366 total cpu time spent up to now is 48.4 secs Computing kpt #: 367 total cpu time spent up to now is 48.6 secs Computing kpt #: 368 total cpu time spent up to now is 48.7 secs Computing kpt #: 369 total cpu time spent up to now is 48.8 secs Computing kpt #: 370 total cpu time spent up to now is 49.0 secs Computing kpt #: 371 total cpu time spent up to now is 49.1 secs Computing kpt #: 372 total cpu time spent up to now is 49.3 secs Computing kpt #: 373 total cpu time spent up to now is 49.4 secs Computing kpt #: 374 total cpu time spent up to now is 49.6 secs Computing kpt #: 375 total cpu time spent up to now is 49.7 secs Computing kpt #: 376 total cpu time spent up to now is 49.9 secs Computing kpt #: 377 total cpu time spent up to now is 50.0 secs Computing kpt #: 378 total cpu time spent up to now is 50.2 secs Computing kpt #: 379 total cpu time spent up to now is 50.3 secs Computing kpt #: 380 total cpu time spent up to now is 50.5 secs Computing kpt #: 381 total cpu time spent up to now is 50.6 secs Computing kpt #: 382 total cpu time spent up to now is 50.8 secs Computing kpt #: 383 total cpu time spent up to now is 50.9 secs Computing kpt #: 384 total cpu time spent up to now is 51.1 secs Computing kpt #: 385 total cpu time spent up to now is 51.4 secs Computing kpt #: 386 total cpu time spent up to now is 51.5 secs Computing kpt #: 387 total cpu time spent up to now is 51.7 secs Computing kpt #: 388 total cpu time spent up to now is 51.9 secs Computing kpt #: 389 total cpu time spent up to now is 52.1 secs Computing kpt #: 390 total cpu time spent up to now is 52.2 secs Computing kpt #: 391 total cpu time spent up to now is 52.4 secs Computing kpt #: 392 total cpu time spent up to now is 52.6 secs Computing kpt #: 393 total cpu time spent up to now is 52.7 secs Computing kpt #: 394 total cpu time spent up to now is 52.9 secs Computing kpt #: 395 total cpu time spent up to now is 53.1 secs Computing kpt #: 396 total cpu time spent up to now is 53.2 secs Computing kpt #: 397 total cpu time spent up to now is 53.4 secs Computing kpt #: 398 total cpu time spent up to now is 53.5 secs Computing kpt #: 399 total cpu time spent up to now is 53.7 secs Computing kpt #: 400 total cpu time spent up to now is 53.8 secs Computing kpt #: 401 total cpu time spent up to now is 53.9 secs Computing kpt #: 402 total cpu time spent up to now is 54.0 secs Computing kpt #: 403 total cpu time spent up to now is 54.2 secs Computing kpt #: 404 total cpu time spent up to now is 54.3 secs Computing kpt #: 405 total cpu time spent up to now is 54.4 secs Computing kpt #: 406 total cpu time spent up to now is 54.5 secs Computing kpt #: 407 total cpu time spent up to now is 54.6 secs Computing kpt #: 408 total cpu time spent up to now is 54.7 secs Computing kpt #: 409 total cpu time spent up to now is 54.8 secs Computing kpt #: 410 total cpu time spent up to now is 55.0 secs Computing kpt #: 411 total cpu time spent up to now is 55.1 secs Computing kpt #: 412 total cpu time spent up to now is 55.2 secs Computing kpt #: 413 total cpu time spent up to now is 55.3 secs Computing kpt #: 414 total cpu time spent up to now is 55.4 secs Computing kpt #: 415 total cpu time spent up to now is 55.5 secs Computing kpt #: 416 total cpu time spent up to now is 55.6 secs Computing kpt #: 417 total cpu time spent up to now is 55.8 secs Computing kpt #: 418 total cpu time spent up to now is 55.9 secs Computing kpt #: 419 total cpu time spent up to now is 56.0 secs Computing kpt #: 420 total cpu time spent up to now is 56.1 secs Computing kpt #: 421 total cpu time spent up to now is 56.2 secs Computing kpt #: 422 total cpu time spent up to now is 56.4 secs Computing kpt #: 423 total cpu time spent up to now is 56.5 secs Computing kpt #: 424 total cpu time spent up to now is 56.6 secs Computing kpt #: 425 total cpu time spent up to now is 56.7 secs Computing kpt #: 426 total cpu time spent up to now is 56.8 secs Computing kpt #: 427 total cpu time spent up to now is 56.9 secs Computing kpt #: 428 total cpu time spent up to now is 57.1 secs Computing kpt #: 429 total cpu time spent up to now is 57.2 secs Computing kpt #: 430 total cpu time spent up to now is 57.3 secs Computing kpt #: 431 total cpu time spent up to now is 57.4 secs Computing kpt #: 432 total cpu time spent up to now is 57.5 secs Computing kpt #: 433 total cpu time spent up to now is 57.6 secs Computing kpt #: 434 total cpu time spent up to now is 57.7 secs Computing kpt #: 435 total cpu time spent up to now is 57.8 secs Computing kpt #: 436 total cpu time spent up to now is 57.9 secs Computing kpt #: 437 total cpu time spent up to now is 58.1 secs Computing kpt #: 438 total cpu time spent up to now is 58.2 secs Computing kpt #: 439 total cpu time spent up to now is 58.3 secs Computing kpt #: 440 total cpu time spent up to now is 58.4 secs Computing kpt #: 441 total cpu time spent up to now is 58.5 secs Computing kpt #: 442 total cpu time spent up to now is 58.6 secs Computing kpt #: 443 total cpu time spent up to now is 58.8 secs Computing kpt #: 444 total cpu time spent up to now is 58.9 secs Computing kpt #: 445 total cpu time spent up to now is 59.0 secs Computing kpt #: 446 total cpu time spent up to now is 59.1 secs Computing kpt #: 447 total cpu time spent up to now is 59.3 secs Computing kpt #: 448 total cpu time spent up to now is 59.4 secs Computing kpt #: 449 total cpu time spent up to now is 59.5 secs Computing kpt #: 450 total cpu time spent up to now is 59.6 secs Computing kpt #: 451 total cpu time spent up to now is 59.7 secs Computing kpt #: 452 total cpu time spent up to now is 59.9 secs Computing kpt #: 453 total cpu time spent up to now is 60.0 secs Computing kpt #: 454 total cpu time spent up to now is 60.1 secs Computing kpt #: 455 total cpu time spent up to now is 60.3 secs Computing kpt #: 456 total cpu time spent up to now is 60.4 secs Computing kpt #: 457 total cpu time spent up to now is 60.5 secs Computing kpt #: 458 total cpu time spent up to now is 60.6 secs Computing kpt #: 459 total cpu time spent up to now is 60.8 secs Computing kpt #: 460 total cpu time spent up to now is 60.9 secs Computing kpt #: 461 total cpu time spent up to now is 61.0 secs Computing kpt #: 462 total cpu time spent up to now is 61.1 secs Computing kpt #: 463 total cpu time spent up to now is 61.3 secs Computing kpt #: 464 total cpu time spent up to now is 61.4 secs ethr = 4.17E-08, avg # of iterations = 12.3 total cpu time spent up to now is 61.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2401 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3197 -12.3197 0.8960 0.8960 0.9884 0.9884 2.0791 2.0791 2.7954 2.7954 3.0002 3.0002 3.2358 3.2358 3.3238 3.3238 3.4031 3.4031 3.4292 3.4292 10.3787 10.3787 14.2121 14.2121 k = 0.0000 0.0094-0.0000 ( 2391 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3195 -12.3195 0.8974 0.8974 0.9893 0.9893 2.0785 2.0785 2.7955 2.7955 3.0002 3.0002 3.2310 3.2310 3.3231 3.3231 3.4056 3.4056 3.4316 3.4316 10.3799 10.3799 14.2136 14.2136 k = 0.0000 0.0189-0.0000 ( 2391 PWs) bands (ev): -79.6336 -79.6336 -48.4388 -48.4388 -43.9978 -43.9978 -43.9355 -43.9355 -12.3188 -12.3188 0.9016 0.9016 0.9917 0.9917 2.0769 2.0769 2.7954 2.7954 2.9999 2.9999 3.2176 3.2176 3.3208 3.3208 3.4107 3.4107 3.4393 3.4393 10.3835 10.3835 14.2183 14.2183 k = 0.0000 0.0283-0.0000 ( 2395 PWs) bands (ev): -79.6336 -79.6336 -48.4389 -48.4389 -43.9980 -43.9980 -43.9355 -43.9355 -12.3177 -12.3177 0.9083 0.9083 0.9959 0.9959 2.0741 2.0741 2.7953 2.7953 2.9995 2.9995 3.1980 3.1980 3.3171 3.3171 3.4155 3.4155 3.4531 3.4531 10.3895 10.3895 14.2261 14.2261 k = 0.0000 0.0377-0.0000 ( 2399 PWs) bands (ev): -79.6336 -79.6336 -48.4390 -48.4390 -43.9983 -43.9983 -43.9356 -43.9356 -12.3161 -12.3161 0.9170 0.9170 1.0024 1.0024 2.0703 2.0703 2.7949 2.7949 2.9989 2.9989 3.1745 3.1745 3.3121 3.3121 3.4194 3.4194 3.4714 3.4714 10.3978 10.3978 14.2370 14.2370 k = 0.0000 0.0472-0.0000 ( 2399 PWs) bands (ev): -79.6336 -79.6336 -48.4392 -48.4392 -43.9986 -43.9986 -43.9356 -43.9356 -12.3141 -12.3141 0.9269 0.9269 1.0119 1.0119 2.0654 2.0654 2.7943 2.7943 2.9982 2.9982 3.1486 3.1486 3.3061 3.3061 3.4231 3.4231 3.4922 3.4922 10.4084 10.4084 14.2508 14.2508 k = 0.0000 0.0566-0.0000 ( 2399 PWs) bands (ev): -79.6335 -79.6335 -48.4393 -48.4393 -43.9990 -43.9990 -43.9357 -43.9357 -12.3117 -12.3117 0.9373 0.9373 1.0253 1.0253 2.0595 2.0595 2.7932 2.7932 2.9973 2.9973 3.1212 3.1212 3.2991 3.2991 3.4266 3.4266 3.5144 3.5144 10.4214 10.4214 14.2674 14.2674 k = 0.0000 0.0660-0.0000 ( 2403 PWs) bands (ev): -79.6335 -79.6335 -48.4396 -48.4396 -43.9995 -43.9995 -43.9358 -43.9358 -12.3088 -12.3088 0.9472 0.9472 1.0433 1.0433 2.0525 2.0525 2.7912 2.7912 2.9962 2.9962 3.0931 3.0931 3.2913 3.2913 3.4303 3.4303 3.5374 3.5374 10.4366 10.4366 14.2868 14.2868 k = 0.0000 0.0755-0.0000 ( 2404 PWs) bands (ev): -79.6334 -79.6334 -48.4398 -48.4398 -44.0000 -44.0000 -43.9359 -43.9359 -12.3055 -12.3055 0.9564 0.9564 1.0662 1.0662 2.0445 2.0445 2.7881 2.7881 2.9949 2.9949 3.0651 3.0651 3.2828 3.2828 3.4340 3.4340 3.5610 3.5610 10.4539 10.4539 14.3087 14.3087 k = 0.0000 0.0849-0.0000 ( 2408 PWs) bands (ev): -79.6333 -79.6333 -48.4401 -48.4401 -44.0007 -44.0007 -43.9360 -43.9360 -12.3018 -12.3018 0.9646 0.9646 1.0939 1.0939 2.0355 2.0355 2.7829 2.7829 2.9932 2.9932 3.0381 3.0381 3.2737 3.2737 3.4379 3.4379 3.5849 3.5849 10.4734 10.4734 14.3328 14.3328 k = 0.0000 0.0943-0.0000 ( 2410 PWs) bands (ev): -79.6332 -79.6332 -48.4404 -48.4404 -44.0014 -44.0014 -43.9361 -43.9361 -12.2977 -12.2977 0.9723 0.9723 1.1261 1.1261 2.0255 2.0255 2.7752 2.7752 2.9912 2.9912 3.0130 3.0130 3.2643 3.2643 3.4418 3.4418 3.6091 3.6091 10.4949 10.4949 14.3590 14.3590 k = 0.0000 0.1038-0.0000 ( 2410 PWs) bands (ev): -79.6331 -79.6331 -48.4407 -48.4407 -44.0021 -44.0021 -43.9362 -43.9362 -12.2932 -12.2932 0.9795 0.9795 1.1625 1.1625 2.0147 2.0147 2.7638 2.7638 2.9876 2.9876 2.9921 2.9921 3.2546 3.2546 3.4459 3.4459 3.6338 3.6338 10.5184 10.5184 14.3867 14.3867 k = 0.0000 0.1132-0.0000 ( 2410 PWs) bands (ev): -79.6330 -79.6330 -48.4410 -48.4410 -44.0030 -44.0030 -43.9363 -43.9363 -12.2883 -12.2883 0.9866 0.9866 1.2027 1.2027 2.0031 2.0031 2.7480 2.7480 2.9717 2.9717 2.9870 2.9870 3.2448 3.2448 3.4500 3.4500 3.6588 3.6588 10.5437 10.5437 14.4155 14.4155 k = 0.0000 0.1226-0.0000 ( 2410 PWs) bands (ev): -79.6329 -79.6329 -48.4414 -48.4414 -44.0039 -44.0039 -43.9364 -43.9364 -12.2831 -12.2831 0.9936 0.9936 1.2464 1.2464 1.9908 1.9908 2.7272 2.7272 2.9577 2.9577 2.9839 2.9839 3.2350 3.2350 3.4543 3.4543 3.6843 3.6843 10.5709 10.5709 14.4444 14.4444 k = 0.0000 0.1321-0.0000 ( 2410 PWs) bands (ev): -79.6328 -79.6328 -48.4418 -48.4418 -44.0048 -44.0048 -43.9365 -43.9365 -12.2776 -12.2776 1.0007 1.0007 1.2931 1.2931 1.9778 1.9778 2.7018 2.7018 2.9478 2.9478 2.9804 2.9804 3.2254 3.2254 3.4586 3.4586 3.7104 3.7104 10.5997 10.5997 14.4725 14.4725 k = 0.0000 0.1415-0.0000 ( 2406 PWs) bands (ev): -79.6327 -79.6327 -48.4422 -48.4422 -44.0059 -44.0059 -43.9366 -43.9366 -12.2717 -12.2717 1.0079 1.0079 1.3427 1.3427 1.9644 1.9644 2.6722 2.6722 2.9414 2.9414 2.9768 2.9768 3.2164 3.2164 3.4630 3.4630 3.7371 3.7371 10.6302 10.6302 14.4979 14.4979 k = 0.0000 0.1509-0.0000 ( 2408 PWs) bands (ev): -79.6326 -79.6326 -48.4427 -48.4427 -44.0069 -44.0069 -43.9367 -43.9367 -12.2655 -12.2655 1.0152 1.0152 1.3944 1.3944 1.9507 1.9507 2.6395 2.6395 2.9373 2.9373 2.9730 2.9730 3.2079 3.2079 3.4674 3.4674 3.7646 3.7646 10.6621 10.6621 14.5181 14.5181 k = 0.0000 0.1604-0.0000 ( 2410 PWs) bands (ev): -79.6324 -79.6324 -48.4431 -48.4431 -44.0081 -44.0081 -43.9368 -43.9368 -12.2591 -12.2591 1.0226 1.0226 1.4481 1.4481 1.9369 1.9369 2.6045 2.6045 2.9343 2.9343 2.9696 2.9696 3.2003 3.2003 3.4720 3.4720 3.7930 3.7930 10.6954 10.6954 14.5288 14.5288 k = 0.0000 0.1698-0.0000 ( 2416 PWs) bands (ev): -79.6323 -79.6323 -48.4436 -48.4436 -44.0093 -44.0093 -43.9369 -43.9369 -12.2524 -12.2524 1.0301 1.0301 1.5026 1.5026 1.9238 1.9238 2.5679 2.5679 2.9309 2.9309 2.9675 2.9675 3.1936 3.1936 3.4766 3.4766 3.8225 3.8225 10.7300 10.7300 14.5236 14.5236 k = 0.0000 0.1792-0.0000 ( 2414 PWs) bands (ev): -79.6322 -79.6322 -48.4441 -48.4441 -44.0105 -44.0105 -43.9370 -43.9370 -12.2454 -12.2454 1.0378 1.0378 1.5571 1.5571 1.9120 1.9120 2.5307 2.5307 2.9258 2.9258 2.9674 2.9674 3.1880 3.1880 3.4812 3.4812 3.8531 3.8531 10.7657 10.7657 14.4932 14.4932 k = 0.0000 0.1887-0.0000 ( 2414 PWs) bands (ev): -79.6320 -79.6320 -48.4446 -48.4446 -44.0118 -44.0118 -43.9371 -43.9371 -12.2383 -12.2383 1.0456 1.0456 1.6096 1.6096 1.9028 1.9028 2.4935 2.4935 2.9185 2.9185 2.9694 2.9694 3.1837 3.1837 3.4859 3.4859 3.8852 3.8852 10.8025 10.8025 14.4272 14.4272 k = 0.0000 0.1981-0.0000 ( 2418 PWs) bands (ev): -79.6319 -79.6319 -48.4452 -48.4452 -44.0132 -44.0132 -43.9371 -43.9371 -12.2309 -12.2309 1.0534 1.0534 1.6567 1.6567 1.8989 1.8989 2.4570 2.4570 2.9091 2.9091 2.9733 2.9733 3.1805 3.1805 3.4907 3.4907 3.9189 3.9189 10.8402 10.8402 14.3194 14.3194 k = 0.0000 0.2075-0.0000 ( 2416 PWs) bands (ev): -79.6317 -79.6317 -48.4457 -48.4457 -44.0145 -44.0145 -43.9372 -43.9372 -12.2234 -12.2234 1.0614 1.0614 1.6937 1.6937 1.9042 1.9042 2.4224 2.4224 2.8982 2.8982 2.9785 2.9785 3.1788 3.1788 3.4955 3.4955 3.9544 3.9544 10.8787 10.8787 14.1727 14.1727 k = 0.0000 0.2170-0.0000 ( 2410 PWs) bands (ev): -79.6316 -79.6316 -48.4462 -48.4462 -44.0159 -44.0159 -43.9372 -43.9372 -12.2157 -12.2157 1.0693 1.0693 1.7155 1.7155 1.9222 1.9222 2.3912 2.3912 2.8860 2.8860 2.9847 2.9847 3.1783 3.1783 3.5003 3.5003 3.9921 3.9921 10.9178 10.9178 13.9961 13.9961 k = 0.0000 0.2264-0.0000 ( 2394 PWs) bands (ev): -79.6314 -79.6314 -48.4468 -48.4468 -44.0174 -44.0174 -43.9372 -43.9372 -12.2079 -12.2079 1.0773 1.0773 1.7220 1.7220 1.9505 1.9505 2.3658 2.3658 2.8730 2.8730 2.9915 2.9915 3.1791 3.1791 3.5052 3.5052 4.0321 4.0321 10.9575 10.9575 13.7995 13.7995 k = 0.0000 0.2358-0.0000 ( 2406 PWs) bands (ev): -79.6312 -79.6312 -48.4473 -48.4473 -44.0188 -44.0188 -43.9373 -43.9373 -12.2000 -12.2000 1.0851 1.0851 1.7176 1.7176 1.9805 1.9805 2.3496 2.3496 2.8590 2.8590 2.9986 2.9986 3.1808 3.1808 3.5100 3.5100 4.0748 4.0748 10.9976 10.9976 13.5900 13.5900 k = 0.0000 0.2453-0.0000 ( 2410 PWs) bands (ev): -79.6311 -79.6311 -48.4479 -48.4479 -44.0203 -44.0203 -43.9373 -43.9373 -12.1921 -12.1921 1.0928 1.0928 1.7071 1.7071 2.0029 2.0029 2.3474 2.3474 2.8447 2.8447 3.0061 3.0061 3.1838 3.1838 3.5148 3.5148 4.1205 4.1205 11.0379 11.0379 13.3725 13.3725 k = 0.0000 0.2547-0.0000 ( 2404 PWs) bands (ev): -79.6309 -79.6309 -48.4485 -48.4485 -44.0218 -44.0218 -43.9373 -43.9373 -12.1841 -12.1841 1.1004 1.1004 1.6933 1.6933 2.0113 2.0113 2.3625 2.3625 2.8305 2.8305 3.0140 3.0140 3.1878 3.1878 3.5197 3.5197 4.1697 4.1697 11.0783 11.0783 13.1500 13.1500 k = 0.0000 0.2642-0.0000 ( 2404 PWs) bands (ev): -79.6308 -79.6308 -48.4490 -48.4490 -44.0232 -44.0232 -43.9373 -43.9373 -12.1761 -12.1761 1.1078 1.1078 1.6775 1.6775 2.0049 2.0049 2.3935 2.3935 2.8164 2.8164 3.0220 3.0220 3.1928 3.1928 3.5244 3.5244 4.2226 4.2226 11.1187 11.1187 12.9246 12.9246 k = 0.0000 0.2736-0.0000 ( 2396 PWs) bands (ev): -79.6306 -79.6306 -48.4496 -48.4496 -44.0247 -44.0247 -43.9372 -43.9372 -12.1682 -12.1682 1.1151 1.1151 1.6606 1.6606 1.9875 1.9875 2.4354 2.4354 2.8032 2.8032 3.0303 3.0303 3.1987 3.1987 3.5292 3.5292 4.2798 4.2798 11.1587 11.1587 12.6976 12.6976 k = 0.0000 0.2830-0.0000 ( 2388 PWs) bands (ev): -79.6304 -79.6304 -48.4501 -48.4501 -44.0262 -44.0262 -43.9372 -43.9372 -12.1602 -12.1602 1.1220 1.1220 1.6433 1.6433 1.9632 1.9632 2.4824 2.4824 2.7915 2.7915 3.0389 3.0389 3.2054 3.2054 3.5339 3.5339 4.3415 4.3415 11.1983 11.1983 12.4701 12.4701 k = 0.0000 0.2925-0.0000 ( 2394 PWs) bands (ev): -79.6303 -79.6303 -48.4507 -48.4507 -44.0277 -44.0277 -43.9372 -43.9372 -12.1524 -12.1524 1.1284 1.1284 1.6255 1.6255 1.9351 1.9351 2.5294 2.5294 2.7824 2.7824 3.0478 3.0478 3.2127 3.2127 3.5385 3.5385 4.4081 4.4081 11.2369 11.2369 12.2430 12.2430 k = 0.0000 0.3019-0.0000 ( 2392 PWs) bands (ev): -79.6301 -79.6301 -48.4512 -48.4512 -44.0291 -44.0291 -43.9372 -43.9372 -12.1447 -12.1447 1.1346 1.1346 1.6078 1.6078 1.9051 1.9051 2.5721 2.5721 2.7782 2.7782 3.0572 3.0572 3.2208 3.2208 3.5430 3.5430 4.4802 4.4802 11.2738 11.2738 12.0173 12.0173 k = 0.0000 0.3113-0.0000 ( 2392 PWs) bands (ev): -79.6300 -79.6300 -48.4517 -48.4517 -44.0305 -44.0305 -43.9371 -43.9371 -12.1371 -12.1371 1.1403 1.1403 1.5902 1.5902 1.8745 1.8745 2.6053 2.6053 2.7822 2.7822 3.0672 3.0672 3.2294 3.2294 3.5475 3.5475 4.5578 4.5578 11.3069 11.3069 11.7955 11.7956 k = 0.0000 0.3208-0.0000 ( 2388 PWs) bands (ev): -79.6298 -79.6298 -48.4522 -48.4522 -44.0319 -44.0319 -43.9371 -43.9371 -12.1296 -12.1296 1.1455 1.1455 1.5729 1.5729 1.8440 1.8440 2.6249 2.6249 2.7972 2.7972 3.0781 3.0781 3.2386 3.2386 3.5518 3.5518 4.6414 4.6414 11.3265 11.3265 11.5875 11.5875 k = 0.0000 0.3302-0.0000 ( 2382 PWs) bands (ev): -79.6297 -79.6297 -48.4527 -48.4527 -44.0333 -44.0333 -43.9370 -43.9370 -12.1224 -12.1224 1.1501 1.1501 1.5560 1.5560 1.8143 1.8143 2.6315 2.6315 2.8217 2.8217 3.0900 3.0900 3.2483 3.2483 3.5560 3.5560 4.7311 4.7311 11.2653 11.2653 11.4606 11.4606 k = 0.0000 0.3396-0.0000 ( 2386 PWs) bands (ev): -79.6295 -79.6295 -48.4532 -48.4532 -44.0346 -44.0346 -43.9370 -43.9370 -12.1154 -12.1154 1.1541 1.1541 1.5395 1.5395 1.7855 1.7855 2.6294 2.6294 2.8506 2.8506 3.1030 3.1030 3.2584 3.2584 3.5601 3.5601 4.8270 4.8270 11.0785 11.0785 11.4598 11.4598 k = 0.0000 0.3491-0.0000 ( 2392 PWs) bands (ev): -79.6294 -79.6294 -48.4537 -48.4537 -44.0359 -44.0359 -43.9369 -43.9369 -12.1086 -12.1086 1.1575 1.1575 1.5237 1.5237 1.7580 1.7580 2.6226 2.6226 2.8795 2.8795 3.1174 3.1174 3.2688 3.2688 3.5640 3.5640 4.9291 4.9291 10.8652 10.8652 11.4860 11.4860 k = 0.0000 0.3585-0.0000 ( 2392 PWs) bands (ev): -79.6293 -79.6293 -48.4542 -48.4542 -44.0371 -44.0371 -43.9369 -43.9369 -12.1021 -12.1021 1.1603 1.1603 1.5085 1.5085 1.7320 1.7320 2.6137 2.6137 2.9059 2.9059 3.1330 3.1330 3.2797 3.2797 3.5677 3.5677 5.0372 5.0372 10.6484 10.6484 11.5163 11.5163 k = 0.0000 0.3679-0.0000 ( 2400 PWs) bands (ev): -79.6292 -79.6292 -48.4546 -48.4546 -44.0383 -44.0383 -43.9368 -43.9368 -12.0958 -12.0958 1.1622 1.1622 1.4941 1.4941 1.7076 1.7076 2.6038 2.6038 2.9288 2.9288 3.1496 3.1496 3.2908 3.2908 3.5713 3.5713 5.1513 5.1513 10.4320 10.4320 11.5471 11.5471 k = 0.0000 0.3774-0.0000 ( 2404 PWs) bands (ev): -79.6291 -79.6291 -48.4550 -48.4550 -44.0394 -44.0394 -43.9367 -43.9367 -12.0899 -12.0899 1.1635 1.1635 1.4806 1.4806 1.6851 1.6851 2.5935 2.5935 2.9479 2.9479 3.1665 3.1665 3.3023 3.3023 3.5746 3.5746 5.2709 5.2709 10.2172 10.2172 11.5770 11.5770 k = 0.0000 0.3868-0.0000 ( 2404 PWs) bands (ev): -79.6290 -79.6290 -48.4554 -48.4554 -44.0404 -44.0404 -43.9367 -43.9367 -12.0844 -12.0844 1.1642 1.1642 1.4679 1.4679 1.6644 1.6644 2.5834 2.5834 2.9637 2.9637 3.1833 3.1833 3.3140 3.3140 3.5778 3.5778 5.3958 5.3958 10.0046 10.0046 11.6058 11.6058 k = 0.0000 0.3962-0.0000 ( 2404 PWs) bands (ev): -79.6289 -79.6289 -48.4557 -48.4557 -44.0414 -44.0414 -43.9366 -43.9366 -12.0791 -12.0791 1.1643 1.1643 1.4562 1.4562 1.6456 1.6456 2.5736 2.5736 2.9765 2.9765 3.1993 3.1993 3.3258 3.3258 3.5807 3.5807 5.5256 5.5256 9.7948 9.7948 11.6330 11.6330 k = 0.0000 0.4057-0.0000 ( 2404 PWs) bands (ev): -79.6288 -79.6288 -48.4561 -48.4561 -44.0423 -44.0423 -43.9366 -43.9366 -12.0743 -12.0743 1.1638 1.1638 1.4455 1.4455 1.6288 1.6288 2.5644 2.5644 2.9869 2.9869 3.2140 3.2140 3.3375 3.3375 3.5835 3.5835 5.6595 5.6595 9.5882 9.5882 11.6584 11.6584 k = 0.0000 0.4151-0.0000 ( 2410 PWs) bands (ev): -79.6287 -79.6287 -48.4564 -48.4564 -44.0431 -44.0431 -43.9365 -43.9365 -12.0699 -12.0699 1.1628 1.1628 1.4356 1.4356 1.6137 1.6137 2.5558 2.5558 2.9953 2.9953 3.2273 3.2273 3.3491 3.3491 3.5859 3.5859 5.7971 5.7971 9.3855 9.3855 11.6818 11.6818 k = 0.0000 0.4245-0.0000 ( 2406 PWs) bands (ev): -79.6286 -79.6286 -48.4566 -48.4566 -44.0439 -44.0439 -43.9365 -43.9365 -12.0659 -12.0659 1.1614 1.1614 1.4269 1.4269 1.6006 1.6006 2.5480 2.5480 3.0022 3.0022 3.2390 3.2390 3.3601 3.3601 3.5882 3.5882 5.9373 5.9373 9.1874 9.1874 11.7032 11.7032 k = 0.0000 0.4340-0.0000 ( 2406 PWs) bands (ev): -79.6285 -79.6285 -48.4569 -48.4569 -44.0445 -44.0445 -43.9365 -43.9365 -12.0623 -12.0623 1.1598 1.1598 1.4192 1.4192 1.5893 1.5893 2.5410 2.5410 3.0078 3.0078 3.2490 3.2490 3.3704 3.3704 3.5902 3.5902 6.0791 6.0791 8.9948 8.9948 11.7224 11.7224 k = 0.0000 0.4434-0.0000 ( 2406 PWs) bands (ev): -79.6285 -79.6285 -48.4571 -48.4571 -44.0451 -44.0451 -43.9364 -43.9364 -12.0592 -12.0592 1.1580 1.1580 1.4125 1.4125 1.5797 1.5797 2.5348 2.5348 3.0124 3.0124 3.2575 3.2575 3.3798 3.3798 3.5920 3.5920 6.2209 6.2209 8.8093 8.8093 11.7393 11.7393 k = 0.0000 0.4528-0.0000 ( 2406 PWs) bands (ev): -79.6284 -79.6284 -48.4573 -48.4573 -44.0456 -44.0456 -43.9364 -43.9364 -12.0565 -12.0565 1.1562 1.1562 1.4068 1.4068 1.5718 1.5718 2.5295 2.5295 3.0160 3.0160 3.2646 3.2646 3.3880 3.3880 3.5935 3.5935 6.3603 6.3603 8.6331 8.6331 11.7537 11.7537 k = 0.0000 0.4623-0.0000 ( 2414 PWs) bands (ev): -79.6284 -79.6284 -48.4574 -48.4574 -44.0461 -44.0461 -43.9364 -43.9364 -12.0543 -12.0543 1.1546 1.1546 1.4020 1.4020 1.5654 1.5654 2.5249 2.5249 3.0188 3.0188 3.2701 3.2701 3.3948 3.3948 3.5947 3.5947 6.4940 6.4940 8.4694 8.4694 11.7657 11.7657 k = 0.0000 0.4717-0.0000 ( 2418 PWs) bands (ev): -79.6284 -79.6284 -48.4576 -48.4576 -44.0464 -44.0464 -43.9363 -43.9363 -12.0526 -12.0526 1.1531 1.1531 1.3984 1.3984 1.5605 1.5605 2.5215 2.5215 3.0209 3.0209 3.2744 3.2744 3.4002 3.4002 3.5957 3.5957 6.6164 6.6164 8.3238 8.3238 11.7750 11.7750 k = 0.0000 0.4811-0.0000 ( 2402 PWs) bands (ev): -79.6283 -79.6283 -48.4576 -48.4576 -44.0466 -44.0466 -43.9363 -43.9363 -12.0513 -12.0513 1.1520 1.1520 1.3960 1.3960 1.5571 1.5571 2.5192 2.5192 3.0225 3.0225 3.2776 3.2776 3.4043 3.4043 3.5965 3.5965 6.7188 6.7188 8.2048 8.2048 11.7818 11.7818 k = 0.0000 0.4906-0.0000 ( 2402 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0467 -44.0467 -43.9363 -43.9363 -12.0506 -12.0506 1.1514 1.1514 1.3944 1.3944 1.5551 1.5551 2.5177 2.5177 3.0234 3.0234 3.2794 3.2794 3.4067 3.4067 3.5969 3.5969 6.7893 6.7893 8.1245 8.1245 11.7858 11.7858 k = 0.0000 0.5000-0.0000 ( 2402 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0503 -12.0503 1.1511 1.1511 1.3939 1.3939 1.5544 1.5544 2.5172 2.5172 3.0237 3.0237 3.2800 3.2800 3.4075 3.4075 3.5970 3.5970 6.8147 6.8147 8.0957 8.0957 11.7872 11.7872 k = 0.0000 0.5000-0.0000 ( 2402 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0503 -12.0503 1.1511 1.1511 1.3939 1.3939 1.5544 1.5544 2.5172 2.5172 3.0237 3.0237 3.2800 3.2800 3.4075 3.4075 3.5970 3.5970 6.8147 6.8147 8.0957 8.0957 11.7872 11.7872 k = 0.0094 0.5000-0.0000 ( 2402 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0502 -12.0502 1.1525 1.1525 1.3944 1.3944 1.5551 1.5551 2.5157 2.5157 3.0230 3.0230 3.2796 3.2796 3.4074 3.4074 3.5955 3.5955 6.8178 6.8178 8.0963 8.0963 11.7896 11.7896 k = 0.0189 0.5000-0.0000 ( 2408 PWs) bands (ev): -79.6283 -79.6283 -48.4578 -48.4578 -44.0469 -44.0469 -43.9364 -43.9364 -12.0496 -12.0496 1.1568 1.1568 1.3960 1.3960 1.5571 1.5571 2.5111 2.5111 3.0209 3.0209 3.2785 3.2785 3.4070 3.4070 3.5908 3.5908 6.8272 6.8272 8.0978 8.0978 11.7969 11.7969 k = 0.0283 0.5000-0.0000 ( 2416 PWs) bands (ev): -79.6283 -79.6283 -48.4579 -48.4579 -44.0470 -44.0470 -43.9365 -43.9365 -12.0486 -12.0486 1.1638 1.1638 1.3985 1.3985 1.5605 1.5605 2.5034 2.5034 3.0174 3.0174 3.2766 3.2766 3.4063 3.4063 3.5830 3.5830 6.8426 6.8426 8.1005 8.1005 11.8090 11.8090 k = 0.0377 0.5000-0.0000 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4580 -48.4580 -44.0471 -44.0471 -43.9367 -43.9367 -12.0473 -12.0473 1.1736 1.1736 1.4019 1.4019 1.5652 1.5652 2.4929 2.4929 3.0126 3.0126 3.2741 3.2741 3.4055 3.4055 3.5723 3.5723 6.8642 6.8642 8.1042 8.1042 11.8259 11.8259 k = 0.0472 0.5000-0.0000 ( 2416 PWs) bands (ev): -79.6282 -79.6282 -48.4581 -48.4581 -44.0473 -44.0473 -43.9368 -43.9368 -12.0456 -12.0456 1.1860 1.1860 1.4065 1.4065 1.5714 1.5714 2.4795 2.4795 3.0065 3.0065 3.2711 3.2711 3.4044 3.4044 3.5588 3.5588 6.8915 6.8915 8.1090 8.1090 11.8476 11.8476 k = 0.0566 0.5000-0.0000 ( 2416 PWs) bands (ev): -79.6282 -79.6282 -48.4583 -48.4583 -44.0476 -44.0476 -43.9371 -43.9371 -12.0435 -12.0435 1.2009 1.2009 1.4121 1.4121 1.5790 1.5790 2.4636 2.4636 2.9988 2.9988 3.2675 3.2675 3.4031 3.4031 3.5425 3.5425 6.9247 6.9247 8.1149 8.1149 11.8741 11.8741 k = 0.0660 0.5000-0.0000 ( 2416 PWs) bands (ev): -79.6281 -79.6281 -48.4585 -48.4585 -44.0479 -44.0479 -43.9373 -43.9373 -12.0410 -12.0410 1.2183 1.2183 1.4188 1.4188 1.5882 1.5882 2.4451 2.4451 2.9897 2.9897 3.2635 3.2635 3.4015 3.4015 3.5235 3.5235 6.9633 6.9633 8.1219 8.1219 11.9052 11.9052 k = 0.0755 0.5000-0.0000 ( 2416 PWs) bands (ev): -79.6280 -79.6280 -48.4587 -48.4587 -44.0482 -44.0482 -43.9376 -43.9376 -12.0382 -12.0382 1.2378 1.2378 1.4265 1.4265 1.5989 1.5989 2.4242 2.4242 2.9793 2.9793 3.2590 3.2590 3.3997 3.3997 3.5021 3.5021 7.0072 7.0072 8.1300 8.1300 11.9409 11.9409 k = 0.0849 0.5000-0.0000 ( 2416 PWs) bands (ev): -79.6280 -79.6280 -48.4589 -48.4589 -44.0486 -44.0486 -43.9380 -43.9380 -12.0350 -12.0350 1.2593 1.2593 1.4353 1.4353 1.6112 1.6112 2.4012 2.4012 2.9674 2.9674 3.2542 3.2542 3.3976 3.3976 3.4783 3.4783 7.0561 7.0561 8.1394 8.1394 11.9812 11.9812 k = 0.0943 0.5000-0.0000 ( 2422 PWs) bands (ev): -79.6279 -79.6279 -48.4592 -48.4592 -44.0490 -44.0490 -43.9383 -43.9383 -12.0315 -12.0315 1.2824 1.2824 1.4452 1.4452 1.6252 1.6252 2.3763 2.3763 2.9541 2.9541 3.2491 3.2491 3.3951 3.3951 3.4524 3.4524 7.1098 7.1098 8.1499 8.1499 12.0259 12.0259 k = 0.1038 0.5000-0.0000 ( 2422 PWs) bands (ev): -79.6278 -79.6278 -48.4595 -48.4595 -44.0494 -44.0494 -43.9387 -43.9387 -12.0277 -12.0277 1.3068 1.3068 1.4564 1.4564 1.6410 1.6410 2.3497 2.3497 2.9395 2.9395 3.2439 3.2439 3.3920 3.3920 3.4250 3.4250 7.1680 7.1680 8.1616 8.1616 12.0750 12.0750 k = 0.1132 0.5000-0.0000 ( 2422 PWs) bands (ev): -79.6277 -79.6277 -48.4599 -48.4599 -44.0499 -44.0499 -43.9391 -43.9391 -12.0235 -12.0235 1.3323 1.3323 1.4688 1.4688 1.6586 1.6586 2.3218 2.3218 2.9237 2.9237 3.2385 3.2385 3.3851 3.3851 3.3992 3.3992 7.2305 7.2305 8.1746 8.1746 12.1284 12.1284 k = 0.1226 0.5000-0.0000 ( 2422 PWs) bands (ev): -79.6276 -79.6276 -48.4602 -48.4602 -44.0505 -44.0505 -43.9395 -43.9395 -12.0191 -12.0191 1.3581 1.3581 1.4826 1.4826 1.6782 1.6782 2.2928 2.2928 2.9066 2.9066 3.2328 3.2328 3.3601 3.3601 3.3897 3.3897 7.2970 7.2970 8.1890 8.1890 12.1860 12.1860 k = 0.1321 0.5000-0.0000 ( 2426 PWs) bands (ev): -79.6275 -79.6275 -48.4606 -48.4606 -44.0511 -44.0511 -43.9400 -43.9400 -12.0144 -12.0144 1.3839 1.3839 1.4978 1.4978 1.6997 1.6997 2.2632 2.2632 2.8884 2.8884 3.2270 3.2270 3.3279 3.3279 3.3858 3.3858 7.3672 7.3672 8.2047 8.2047 12.2477 12.2477 k = 0.1415 0.5000-0.0000 ( 2426 PWs) bands (ev): -79.6274 -79.6274 -48.4610 -48.4610 -44.0517 -44.0517 -43.9405 -43.9405 -12.0094 -12.0094 1.4091 1.4091 1.5146 1.5146 1.7230 1.7230 2.2338 2.2338 2.8692 2.8692 3.2207 3.2207 3.2940 3.2940 3.3823 3.3823 7.4409 7.4409 8.2219 8.2219 12.3133 12.3133 k = 0.1509 0.5000-0.0000 ( 2422 PWs) bands (ev): -79.6272 -79.6272 -48.4614 -48.4614 -44.0524 -44.0524 -43.9409 -43.9409 -12.0041 -12.0041 1.4334 1.4334 1.5329 1.5329 1.7477 1.7477 2.2051 2.2051 2.8493 2.8493 3.2134 3.2134 3.2599 3.2599 3.3787 3.3787 7.5178 7.5178 8.2406 8.2406 12.3829 12.3829 k = 0.1604 0.5000-0.0000 ( 2426 PWs) bands (ev): -79.6271 -79.6271 -48.4619 -48.4619 -44.0531 -44.0531 -43.9414 -43.9414 -11.9986 -11.9986 1.4565 1.4565 1.5526 1.5526 1.7730 1.7730 2.1781 2.1781 2.8286 2.8286 3.2010 3.2010 3.2295 3.2295 3.3751 3.3751 7.5978 7.5978 8.2608 8.2608 12.4562 12.4562 k = 0.1698 0.5000-0.0000 ( 2426 PWs) bands (ev): -79.6270 -79.6270 -48.4623 -48.4623 -44.0538 -44.0538 -43.9419 -43.9419 -11.9929 -11.9929 1.4783 1.4783 1.5736 1.5736 1.7974 1.7974 2.1547 2.1547 2.8073 2.8073 3.1739 3.1739 3.2128 3.2128 3.3713 3.3713 7.6805 7.6805 8.2827 8.2827 12.5332 12.5332 k = 0.1792 0.5000-0.0000 ( 2422 PWs) bands (ev): -79.6268 -79.6268 -48.4628 -48.4628 -44.0546 -44.0546 -43.9424 -43.9424 -11.9869 -11.9869 1.4990 1.4990 1.5955 1.5955 1.8187 1.8187 2.1371 2.1371 2.7858 2.7858 3.1377 3.1377 3.2043 3.2043 3.3675 3.3675 7.7659 7.7659 8.3064 8.3064 12.6138 12.6138 k = 0.1887 0.5000-0.0000 ( 2430 PWs) bands (ev): -79.6267 -79.6267 -48.4633 -48.4633 -44.0554 -44.0554 -43.9429 -43.9429 -11.9808 -11.9808 1.5185 1.5185 1.6180 1.6180 1.8336 1.8336 2.1283 2.1283 2.7642 2.7642 3.0989 3.0989 3.1975 3.1975 3.3636 3.3636 7.8535 7.8535 8.3318 8.3318 12.6978 12.6978 k = 0.1981 0.5000-0.0000 ( 2438 PWs) bands (ev): -79.6266 -79.6266 -48.4638 -48.4638 -44.0563 -44.0563 -43.9434 -43.9434 -11.9746 -11.9746 1.5372 1.5372 1.6409 1.6409 1.8390 1.8390 2.1314 2.1314 2.7427 2.7427 3.0591 3.0591 3.1911 3.1911 3.3596 3.3596 7.9432 7.9432 8.3593 8.3593 12.7850 12.7850 k = 0.2075 0.5000-0.0000 ( 2438 PWs) bands (ev): -79.6264 -79.6264 -48.4643 -48.4643 -44.0572 -44.0572 -43.9439 -43.9439 -11.9682 -11.9682 1.5550 1.5550 1.6641 1.6641 1.8341 1.8341 2.1471 2.1471 2.7219 2.7219 3.0187 3.0187 3.1849 3.1849 3.3557 3.3557 8.0347 8.0347 8.3890 8.3890 12.8756 12.8756 k = 0.2170 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6262 -79.6262 -48.4648 -48.4648 -44.0581 -44.0581 -43.9444 -43.9444 -11.9616 -11.9616 1.5719 1.5719 1.6873 1.6873 1.8207 1.8207 2.1732 2.1732 2.7023 2.7023 2.9780 2.9780 3.1788 3.1788 3.3519 3.3519 8.1277 8.1277 8.4210 8.4210 12.9692 12.9692 k = 0.2264 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6261 -79.6261 -48.4653 -48.4653 -44.0590 -44.0590 -43.9449 -43.9449 -11.9550 -11.9550 1.5872 1.5872 1.7106 1.7106 1.8019 1.8019 2.2062 2.2062 2.6844 2.6844 2.9371 2.9371 3.1726 3.1726 3.3482 3.3482 8.2219 8.2219 8.4557 8.4557 13.0658 13.0658 k = 0.2358 0.5000-0.0000 ( 2430 PWs) bands (ev): -79.6259 -79.6259 -48.4659 -48.4659 -44.0600 -44.0600 -43.9454 -43.9454 -11.9483 -11.9483 1.6001 1.6001 1.7337 1.7337 1.7815 1.7815 2.2424 2.2424 2.6694 2.6694 2.8962 2.8962 3.1664 3.1664 3.3449 3.3449 8.3163 8.3163 8.4939 8.4939 13.1652 13.1652 k = 0.2453 0.5000-0.0000 ( 2422 PWs) bands (ev): -79.6258 -79.6258 -48.4664 -48.4664 -44.0609 -44.0609 -43.9458 -43.9458 -11.9416 -11.9416 1.6088 1.6088 1.7555 1.7555 1.7641 1.7641 2.2786 2.2786 2.6585 2.6585 2.8554 2.8554 3.1601 3.1601 3.3419 3.3419 8.4096 8.4096 8.5370 8.5370 13.2674 13.2674 k = 0.2547 0.5000-0.0000 ( 2422 PWs) bands (ev): -79.6256 -79.6256 -48.4669 -48.4669 -44.0619 -44.0619 -43.9463 -43.9463 -11.9348 -11.9348 1.6104 1.6104 1.7488 1.7488 1.7808 1.7808 2.3113 2.3113 2.6536 2.6536 2.8149 2.8149 3.1536 3.1536 3.3395 3.3395 8.4974 8.4974 8.5891 8.5891 13.3721 13.3721 k = 0.2642 0.5000-0.0000 ( 2434 PWs) bands (ev): -79.6255 -79.6255 -48.4675 -48.4675 -44.0629 -44.0629 -43.9467 -43.9467 -11.9280 -11.9280 1.6024 1.6024 1.7445 1.7445 1.8038 1.8038 2.3373 2.3373 2.6568 2.6568 2.7747 2.7747 3.1471 3.1471 3.3378 3.3378 8.5716 8.5716 8.6584 8.6584 13.4793 13.4793 k = 0.2736 0.5000-0.0000 ( 2432 PWs) bands (ev): -79.6253 -79.6253 -48.4680 -48.4680 -44.0640 -44.0640 -43.9471 -43.9471 -11.9212 -11.9212 1.5857 1.5857 1.7489 1.7489 1.8268 1.8268 2.3544 2.3544 2.6697 2.6697 2.7351 2.7351 3.1405 3.1405 3.3373 3.3373 8.6315 8.6315 8.7454 8.7454 13.5888 13.5888 k = 0.2830 0.5000-0.0000 ( 2432 PWs) bands (ev): -79.6251 -79.6251 -48.4685 -48.4685 -44.0650 -44.0650 -43.9475 -43.9475 -11.9145 -11.9145 1.5629 1.5629 1.7593 1.7593 1.8497 1.8497 2.3621 2.3621 2.6917 2.6917 2.6966 2.6966 3.1338 3.1338 3.3381 3.3381 8.6864 8.6864 8.8410 8.8410 13.7004 13.7004 k = 0.2925 0.5000-0.0000 ( 2432 PWs) bands (ev): -79.6250 -79.6250 -48.4690 -48.4690 -44.0660 -44.0660 -43.9479 -43.9479 -11.9079 -11.9079 1.5370 1.5370 1.7731 1.7731 1.8725 1.8725 2.3616 2.3616 2.6579 2.6579 2.7219 2.7219 3.1271 3.1271 3.3407 3.3407 8.7412 8.7412 8.9400 8.9400 13.8139 13.8139 k = 0.3019 0.5000-0.0000 ( 2432 PWs) bands (ev): -79.6248 -79.6248 -48.4695 -48.4695 -44.0670 -44.0670 -43.9482 -43.9482 -11.9013 -11.9013 1.5098 1.5098 1.7888 1.7888 1.8950 1.8950 2.3552 2.3552 2.6206 2.6206 2.7557 2.7557 3.1204 3.1204 3.3456 3.3456 8.7979 8.7979 9.0403 9.0403 13.9291 13.9291 k = 0.3113 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6247 -79.6247 -48.4700 -48.4700 -44.0680 -44.0680 -43.9486 -43.9486 -11.8949 -11.8949 1.4821 1.4821 1.8054 1.8054 1.9174 1.9174 2.3451 2.3451 2.5842 2.5842 2.7907 2.7907 3.1136 3.1136 3.3532 3.3532 8.8573 8.8573 9.1412 9.1412 14.0453 14.0453 k = 0.3208 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6246 -79.6246 -48.4705 -48.4705 -44.0690 -44.0690 -43.9489 -43.9489 -11.8886 -11.8886 1.4546 1.4546 1.8225 1.8225 1.9394 1.9394 2.3328 2.3328 2.5489 2.5489 2.8247 2.8247 3.1067 3.1067 3.3643 3.3643 8.9198 8.9198 9.2420 9.2420 14.1616 14.1616 k = 0.3302 0.5000-0.0000 ( 2440 PWs) bands (ev): -79.6244 -79.6244 -48.4710 -48.4710 -44.0700 -44.0700 -43.9492 -43.9492 -11.8824 -11.8824 1.4277 1.4277 1.8396 1.8396 1.9610 1.9610 2.3194 2.3194 2.5148 2.5148 2.8559 2.8559 3.0999 3.0999 3.3791 3.3791 8.9855 8.9855 9.3424 9.3424 14.2744 14.2744 k = 0.3396 0.5000-0.0000 ( 2440 PWs) bands (ev): -79.6243 -79.6243 -48.4715 -48.4715 -44.0709 -44.0709 -43.9495 -43.9495 -11.8765 -11.8765 1.4015 1.4015 1.8565 1.8565 1.9821 1.9821 2.3058 2.3058 2.4820 2.4820 2.8831 2.8831 3.0930 3.0930 3.3981 3.3981 9.0548 9.0548 9.4420 9.4420 14.3592 14.3592 k = 0.3491 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6241 -79.6241 -48.4719 -48.4719 -44.0718 -44.0718 -43.9497 -43.9497 -11.8707 -11.8707 1.3763 1.3763 1.8730 1.8730 2.0028 2.0028 2.2923 2.2923 2.4506 2.4506 2.9057 2.9057 3.0861 3.0861 3.4213 3.4213 9.1275 9.1275 9.5405 9.5405 14.2763 14.2763 k = 0.3585 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6240 -79.6240 -48.4724 -48.4724 -44.0727 -44.0727 -43.9500 -43.9500 -11.8652 -11.8652 1.3522 1.3522 1.8888 1.8888 2.0228 2.0228 2.2795 2.2795 2.4207 2.4207 2.9236 2.9236 3.0790 3.0790 3.4480 3.4480 9.2039 9.2039 9.6375 9.6375 14.0923 14.0923 k = 0.3679 0.5000-0.0000 ( 2428 PWs) bands (ev): -79.6239 -79.6239 -48.4728 -48.4728 -44.0736 -44.0736 -43.9502 -43.9502 -11.8599 -11.8599 1.3294 1.3294 1.9038 1.9038 2.0420 2.0420 2.2677 2.2677 2.3923 2.3923 2.9371 2.9371 3.0719 3.0719 3.4779 3.4779 9.2839 9.2839 9.7326 9.7326 13.8975 13.8975 k = 0.3774 0.5000-0.0000 ( 2428 PWs) bands (ev): -79.6238 -79.6238 -48.4731 -48.4731 -44.0744 -44.0744 -43.9504 -43.9504 -11.8549 -11.8549 1.3079 1.3079 1.9178 1.9178 2.0605 2.0605 2.2569 2.2569 2.3655 2.3655 2.9468 2.9468 3.0646 3.0646 3.5097 3.5097 9.3673 9.3673 9.8255 9.8255 13.7020 13.7020 k = 0.3868 0.5000-0.0000 ( 2428 PWs) bands (ev): -79.6237 -79.6237 -48.4735 -48.4735 -44.0752 -44.0752 -43.9506 -43.9506 -11.8502 -11.8502 1.2877 1.2877 1.9305 1.9305 2.0781 2.0781 2.2476 2.2476 2.3405 2.3405 2.9533 2.9533 3.0572 3.0572 3.5427 3.5427 9.4540 9.4540 9.9159 9.9159 13.5082 13.5082 k = 0.3962 0.5000-0.0000 ( 2428 PWs) bands (ev): -79.6236 -79.6236 -48.4738 -48.4738 -44.0759 -44.0759 -43.9507 -43.9507 -11.8458 -11.8458 1.2689 1.2689 1.9419 1.9419 2.0946 2.0946 2.2398 2.2398 2.3171 2.3171 2.9575 2.9575 3.0497 3.0497 3.5759 3.5759 9.5438 9.5438 10.0032 10.0032 13.3172 13.3172 k = 0.4057 0.5000-0.0000 ( 2426 PWs) bands (ev): -79.6235 -79.6235 -48.4742 -48.4742 -44.0766 -44.0766 -43.9509 -43.9509 -11.8417 -11.8417 1.2517 1.2517 1.9519 1.9519 2.1100 2.1100 2.2336 2.2336 2.2957 2.2957 2.9600 2.9600 3.0421 3.0421 3.6085 3.6085 9.6360 9.6360 10.0872 10.0872 13.1299 13.1299 k = 0.4151 0.5000-0.0000 ( 2414 PWs) bands (ev): -79.6234 -79.6234 -48.4744 -48.4744 -44.0772 -44.0772 -43.9510 -43.9510 -11.8380 -11.8380 1.2360 1.2360 1.9604 1.9604 2.1243 2.1243 2.2291 2.2291 2.2761 2.2761 2.9613 2.9613 3.0346 3.0346 3.6398 3.6398 9.7299 9.7299 10.1676 10.1676 12.9472 12.9472 k = 0.4245 0.5000-0.0000 ( 2418 PWs) bands (ev): -79.6233 -79.6233 -48.4747 -48.4747 -44.0778 -44.0778 -43.9511 -43.9511 -11.8346 -11.8346 1.2218 1.2218 1.9672 1.9672 2.1372 2.1372 2.2260 2.2260 2.2586 2.2586 2.9618 2.9618 3.0270 3.0270 3.6691 3.6691 9.8246 9.8246 10.2443 10.2443 12.7701 12.7701 k = 0.4340 0.5000-0.0000 ( 2414 PWs) bands (ev): -79.6232 -79.6232 -48.4749 -48.4749 -44.0783 -44.0783 -43.9512 -43.9512 -11.8316 -11.8316 1.2093 1.2093 1.9727 1.9727 2.1487 2.1487 2.2242 2.2242 2.2430 2.2430 2.9620 2.9620 3.0196 3.0196 3.6960 3.6960 9.9183 9.9183 10.3172 10.3172 12.5998 12.5998 k = 0.4434 0.5000-0.0000 ( 2414 PWs) bands (ev): -79.6232 -79.6232 -48.4751 -48.4751 -44.0787 -44.0787 -43.9513 -43.9513 -11.8289 -11.8289 1.1983 1.1983 1.9768 1.9768 2.1587 2.1587 2.2234 2.2234 2.2297 2.2297 2.9622 2.9622 3.0124 3.0124 3.7200 3.7200 10.0090 10.0090 10.3865 10.3865 12.4379 12.4379 k = 0.4528 0.5000-0.0000 ( 2414 PWs) bands (ev): -79.6231 -79.6231 -48.4753 -48.4753 -44.0791 -44.0791 -43.9514 -43.9514 -11.8267 -11.8267 1.1890 1.1890 1.9798 1.9798 2.1671 2.1671 2.2182 2.2182 2.2238 2.2238 2.9624 2.9624 3.0057 3.0057 3.7409 3.7409 10.0937 10.0937 10.4525 10.4525 12.2866 12.2866 k = 0.4623 0.5000-0.0000 ( 2418 PWs) bands (ev): -79.6231 -79.6231 -48.4755 -48.4755 -44.0794 -44.0794 -43.9515 -43.9515 -11.8248 -11.8248 1.1814 1.1814 1.9819 1.9819 2.1737 2.1737 2.2095 2.2095 2.2242 2.2242 2.9629 2.9629 2.9994 2.9994 3.7582 3.7582 10.1686 10.1686 10.5153 10.5153 12.1492 12.1492 k = 0.4717 0.5000-0.0000 ( 2424 PWs) bands (ev): -79.6231 -79.6231 -48.4756 -48.4756 -44.0796 -44.0796 -43.9515 -43.9515 -11.8234 -11.8234 1.1754 1.1754 1.9832 1.9832 2.1780 2.1780 2.2035 2.2035 2.2249 2.2249 2.9637 2.9637 2.9939 2.9939 3.7719 3.7719 10.2302 10.2302 10.5734 10.5734 12.0301 12.0301 k = 0.4811 0.5000-0.0000 ( 2428 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0798 -44.0798 -43.9516 -43.9516 -11.8223 -11.8223 1.1711 1.1711 1.9840 1.9840 2.1801 2.1801 2.2003 2.2003 2.2255 2.2255 2.9648 2.9648 2.9893 2.9893 3.7818 3.7818 10.2754 10.2754 10.6232 10.6232 11.9359 11.9359 k = 0.4906 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8217 -11.8217 1.1684 1.1684 1.9844 1.9844 2.1805 2.1805 2.1992 2.1992 2.2259 2.2259 2.9657 2.9657 2.9862 2.9862 3.7876 3.7876 10.3029 10.3029 10.6579 10.6579 11.8742 11.8742 k = 0.5000 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8215 -11.8215 1.1676 1.1676 1.9846 1.9846 2.1804 2.1804 2.1990 2.1990 2.2261 2.2261 2.9662 2.9662 2.9850 2.9850 3.7896 3.7896 10.3121 10.3121 10.6706 10.6706 11.8526 11.8526 k = 0.5000 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8215 -11.8215 1.1676 1.1676 1.9846 1.9846 2.1804 2.1804 2.1990 2.1990 2.2261 2.2261 2.9662 2.9662 2.9850 2.9850 3.7896 3.7896 10.3121 10.3121 10.6706 10.6706 11.8526 11.8526 k = 0.4933 0.4933-0.0000 ( 2436 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8217 -11.8217 1.1684 1.1684 1.9844 1.9844 2.1805 2.1805 2.1991 2.1991 2.2259 2.2259 2.9657 2.9657 2.9862 2.9862 3.7876 3.7876 10.3025 10.3025 10.6585 10.6585 11.8741 11.8741 k = 0.4867 0.4867-0.0000 ( 2432 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0798 -44.0798 -43.9516 -43.9516 -11.8223 -11.8223 1.1711 1.1711 1.9840 1.9840 2.1808 2.1808 2.1995 2.1995 2.2255 2.2255 2.9647 2.9647 2.9893 2.9893 3.7817 3.7817 10.2694 10.2694 10.6313 10.6313 11.9337 11.9337 k = 0.4800 0.4800-0.0000 ( 2420 PWs) bands (ev): -79.6231 -79.6231 -48.4756 -48.4756 -44.0796 -44.0796 -43.9515 -43.9515 -11.8234 -11.8234 1.1753 1.1753 1.9834 1.9834 2.1810 2.1810 2.2004 2.2004 2.2248 2.2248 2.9636 2.9636 2.9941 2.9941 3.7720 3.7720 10.2039 10.2039 10.6082 10.6082 12.0210 12.0210 k = 0.4733 0.4733-0.0000 ( 2418 PWs) bands (ev): -79.6231 -79.6231 -48.4755 -48.4755 -44.0794 -44.0794 -43.9515 -43.9515 -11.8248 -11.8248 1.1813 1.1813 1.9824 1.9824 2.1809 2.1809 2.2019 2.2019 2.2240 2.2240 2.9627 2.9627 2.9999 2.9999 3.7582 3.7582 10.1034 10.1034 10.6021 10.6021 12.1254 12.1254 k = 0.4667 0.4667-0.0000 ( 2422 PWs) bands (ev): -79.6231 -79.6231 -48.4753 -48.4753 -44.0791 -44.0791 -43.9514 -43.9514 -11.8267 -11.8267 1.1889 1.1889 1.9809 1.9809 2.1803 2.1803 2.2043 2.2043 2.2231 2.2231 2.9619 2.9619 3.0067 3.0067 3.7406 3.7406 9.9753 9.9753 10.6137 10.6137 12.2390 12.2390 k = 0.4600 0.4600-0.0000 ( 2418 PWs) bands (ev): -79.6232 -79.6232 -48.4751 -48.4751 -44.0787 -44.0787 -43.9513 -43.9513 -11.8290 -11.8290 1.1982 1.1982 1.9790 1.9790 2.1791 2.1791 2.2075 2.2075 2.2226 2.2226 2.9615 2.9615 3.0143 3.0143 3.7196 3.7196 9.8285 9.8285 10.6393 10.6393 12.3561 12.3561 k = 0.4533 0.4533-0.0000 ( 2424 PWs) bands (ev): -79.6232 -79.6232 -48.4749 -48.4749 -44.0782 -44.0782 -43.9513 -43.9513 -11.8317 -11.8317 1.2090 1.2090 1.9767 1.9767 2.1771 2.1771 2.2112 2.2112 2.2230 2.2230 2.9613 2.9613 3.0225 3.0225 3.6950 3.6950 9.6697 9.6697 10.6755 10.6755 12.4731 12.4731 k = 0.4467 0.4467-0.0000 ( 2420 PWs) bands (ev): -79.6233 -79.6233 -48.4747 -48.4747 -44.0777 -44.0777 -43.9512 -43.9512 -11.8348 -11.8348 1.2216 1.2216 1.9738 1.9738 2.1746 2.1746 2.2144 2.2144 2.2252 2.2252 2.9613 2.9613 3.0314 3.0314 3.6672 3.6672 9.5033 9.5033 10.7207 10.7207 12.5877 12.5877 k = 0.4400 0.4400-0.0000 ( 2418 PWs) bands (ev): -79.6234 -79.6234 -48.4744 -48.4744 -44.0771 -44.0771 -43.9510 -43.9510 -11.8382 -11.8382 1.2357 1.2357 1.9705 1.9705 2.1716 2.1716 2.2166 2.2166 2.2300 2.2300 2.9614 2.9614 3.0410 3.0410 3.6363 3.6363 9.3318 9.3318 10.7734 10.7734 12.6984 12.6984 k = 0.4333 0.4333-0.0000 ( 2414 PWs) bands (ev): -79.6235 -79.6235 -48.4741 -48.4741 -44.0765 -44.0765 -43.9509 -43.9509 -11.8421 -11.8421 1.2513 1.2513 1.9666 1.9666 2.1681 2.1681 2.2185 2.2185 2.2367 2.2367 2.9615 2.9615 3.0509 3.0509 3.6025 3.6025 9.1572 9.1572 10.8330 10.8330 12.8042 12.8042 k = 0.4267 0.4267-0.0000 ( 2410 PWs) bands (ev): -79.6236 -79.6236 -48.4738 -48.4738 -44.0758 -44.0758 -43.9508 -43.9508 -11.8464 -11.8464 1.2685 1.2685 1.9622 1.9622 2.1643 2.1643 2.2207 2.2207 2.2448 2.2448 2.9614 2.9614 3.0612 3.0612 3.5662 3.5662 8.9808 8.9808 10.8989 10.8989 12.9047 12.9047 k = 0.4200 0.4200-0.0000 ( 2414 PWs) bands (ev): -79.6237 -79.6237 -48.4734 -48.4734 -44.0750 -44.0750 -43.9506 -43.9506 -11.8510 -11.8510 1.2871 1.2871 1.9571 1.9571 2.1602 2.1602 2.2235 2.2235 2.2537 2.2537 2.9611 2.9611 3.0718 3.0718 3.5275 3.5275 8.8035 8.8035 10.9707 10.9707 12.9999 12.9999 k = 0.4133 0.4133-0.0000 ( 2414 PWs) bands (ev): -79.6238 -79.6238 -48.4731 -48.4731 -44.0741 -44.0741 -43.9505 -43.9505 -11.8561 -11.8561 1.3071 1.3071 1.9515 1.9515 2.1559 2.1559 2.2271 2.2271 2.2635 2.2635 2.9605 2.9605 3.0825 3.0825 3.4868 3.4868 8.6260 8.6260 11.0480 11.0480 13.0898 13.0898 k = 0.4067 0.4067-0.0000 ( 2414 PWs) bands (ev): -79.6239 -79.6239 -48.4727 -48.4727 -44.0732 -44.0732 -43.9503 -43.9503 -11.8615 -11.8615 1.3284 1.3284 1.9455 1.9455 2.1516 2.1516 2.2317 2.2317 2.2740 2.2740 2.9594 2.9594 3.0933 3.0933 3.4443 3.4443 8.4489 8.4489 11.1304 11.1304 13.1747 13.1747 k = 0.4000 0.4000-0.0000 ( 2422 PWs) bands (ev): -79.6240 -79.6240 -48.4722 -48.4722 -44.0723 -44.0723 -43.9501 -43.9501 -11.8672 -11.8672 1.3510 1.3510 1.9390 1.9390 2.1473 2.1473 2.2371 2.2371 2.2851 2.2851 2.9577 2.9577 3.1039 3.1039 3.4003 3.4003 8.2727 8.2727 11.2178 11.2178 13.2550 13.2550 k = 0.3933 0.3933-0.0000 ( 2426 PWs) bands (ev): -79.6242 -79.6242 -48.4718 -48.4718 -44.0713 -44.0713 -43.9499 -43.9499 -11.8733 -11.8733 1.3748 1.3748 1.9323 1.9323 2.1431 2.1431 2.2434 2.2434 2.2967 2.2967 2.9553 2.9553 3.1143 3.1143 3.3554 3.3554 8.0977 8.0977 11.3096 11.3096 13.3312 13.3312 k = 0.3867 0.3867-0.0000 ( 2426 PWs) bands (ev): -79.6243 -79.6243 -48.4713 -48.4713 -44.0702 -44.0702 -43.9497 -43.9497 -11.8798 -11.8798 1.3998 1.3998 1.9252 1.9252 2.1392 2.1392 2.2505 2.2505 2.3089 2.3089 2.9522 2.9522 3.1240 3.1240 3.3102 3.3102 7.9244 7.9244 11.4059 11.4059 13.4035 13.4035 k = 0.3800 0.3800-0.0000 ( 2426 PWs) bands (ev): -79.6245 -79.6245 -48.4708 -48.4708 -44.0691 -44.0691 -43.9495 -43.9495 -11.8865 -11.8865 1.4258 1.4258 1.9180 1.9180 2.1356 2.1356 2.2585 2.2585 2.3214 2.3214 2.9481 2.9481 3.1322 3.1322 3.2658 3.2658 7.7530 7.7530 11.5063 11.5063 13.4725 13.4725 k = 0.3733 0.3733-0.0000 ( 2430 PWs) bands (ev): -79.6246 -79.6246 -48.4702 -48.4702 -44.0679 -44.0679 -43.9493 -43.9493 -11.8936 -11.8936 1.4528 1.4528 1.9106 1.9106 2.1325 2.1325 2.2671 2.2671 2.3342 2.3342 2.9428 2.9428 3.1360 3.1360 3.2252 3.2252 7.5838 7.5838 11.6104 11.6104 13.5381 13.5381 k = 0.3667 0.3667-0.0000 ( 2430 PWs) bands (ev): -79.6248 -79.6248 -48.4697 -48.4697 -44.0666 -44.0666 -43.9490 -43.9490 -11.9010 -11.9010 1.4806 1.4806 1.9032 1.9032 2.1298 2.1298 2.2764 2.2764 2.3471 2.3471 2.9362 2.9362 3.1270 3.1270 3.1976 3.1976 7.4170 7.4170 11.7182 11.7182 13.5999 13.5999 k = 0.3600 0.3600-0.0000 ( 2422 PWs) bands (ev): -79.6249 -79.6249 -48.4691 -48.4691 -44.0653 -44.0653 -43.9488 -43.9488 -11.9087 -11.9087 1.5092 1.5092 1.8958 1.8958 2.1279 2.1279 2.2863 2.2863 2.3599 2.3599 2.9279 2.9279 3.0978 3.0978 3.1909 3.1909 7.2530 7.2530 11.8293 11.8293 13.6541 13.6541 k = 0.3533 0.3533-0.0000 ( 2426 PWs) bands (ev): -79.6251 -79.6251 -48.4685 -48.4685 -44.0640 -44.0640 -43.9485 -43.9485 -11.9167 -11.9167 1.5382 1.5382 1.8886 1.8886 2.1264 2.1264 2.2967 2.2967 2.3724 2.3724 2.9174 2.9174 3.0593 3.0593 3.1948 3.1948 7.0917 7.0917 11.9434 11.9434 13.6723 13.6723 k = 0.3467 0.3467-0.0000 ( 2426 PWs) bands (ev): -79.6253 -79.6253 -48.4679 -48.4679 -44.0626 -44.0626 -43.9483 -43.9483 -11.9249 -11.9249 1.5677 1.5677 1.8815 1.8815 2.1257 2.1257 2.3075 2.3075 2.3843 2.3843 2.9039 2.9039 3.0203 3.0203 3.2018 3.2018 6.9335 6.9335 12.0603 12.0603 13.5956 13.5956 k = 0.3400 0.3400-0.0000 ( 2428 PWs) bands (ev): -79.6255 -79.6255 -48.4672 -48.4672 -44.0612 -44.0612 -43.9480 -43.9480 -11.9334 -11.9334 1.5973 1.5973 1.8748 1.8748 2.1258 2.1258 2.3184 2.3184 2.3952 2.3952 2.8863 2.8863 2.9848 2.9848 3.2097 3.2097 6.7786 6.7786 12.1796 12.1796 13.4866 13.4866 k = 0.3333 0.3333-0.0000 ( 2428 PWs) bands (ev): -79.6257 -79.6257 -48.4666 -48.4666 -44.0598 -44.0598 -43.9477 -43.9477 -11.9422 -11.9422 1.6270 1.6270 1.8683 1.8683 2.1268 2.1268 2.3292 2.3292 2.4048 2.4048 2.8640 2.8640 2.9548 2.9548 3.2176 3.2176 6.6271 6.6271 12.3008 12.3008 13.3746 13.3746 k = 0.3267 0.3267-0.0000 ( 2428 PWs) bands (ev): -79.6259 -79.6259 -48.4659 -48.4659 -44.0583 -44.0583 -43.9474 -43.9474 -11.9512 -11.9512 1.6564 1.6564 1.8624 1.8624 2.1287 2.1287 2.3394 2.3394 2.4127 2.4127 2.8382 2.8382 2.9304 2.9304 3.2254 3.2254 6.4792 6.4792 12.4229 12.4229 13.2644 13.2644 k = 0.3200 0.3200-0.0000 ( 2424 PWs) bands (ev): -79.6261 -79.6261 -48.4652 -48.4652 -44.0568 -44.0568 -43.9471 -43.9471 -11.9604 -11.9604 1.6851 1.6851 1.8570 1.8570 2.1316 2.1316 2.3480 2.3480 2.4189 2.4189 2.8119 2.8119 2.9102 2.9102 3.2328 3.2328 6.3351 6.3351 12.5440 12.5440 13.1589 13.1589 k = 0.3133 0.3133-0.0000 ( 2428 PWs) bands (ev): -79.6263 -79.6263 -48.4645 -48.4645 -44.0552 -44.0552 -43.9468 -43.9468 -11.9698 -11.9698 1.7126 1.7126 1.8523 1.8523 2.1354 2.1354 2.3533 2.3533 2.4239 2.4239 2.7880 2.7880 2.8920 2.8920 3.2396 3.2396 6.1949 6.1949 12.6581 12.6581 13.0643 13.0643 k = 0.3067 0.3067-0.0000 ( 2428 PWs) bands (ev): -79.6265 -79.6265 -48.4638 -48.4638 -44.0536 -44.0536 -43.9465 -43.9465 -11.9793 -11.9793 1.7382 1.7382 1.8488 1.8488 2.1404 2.1404 2.3529 2.3529 2.4294 2.4294 2.7689 2.7689 2.8749 2.8749 3.2460 3.2460 6.0588 6.0588 12.7411 12.7411 13.0050 13.0050 k = 0.3000 0.3000-0.0000 ( 2424 PWs) bands (ev): -79.6267 -79.6267 -48.4631 -48.4631 -44.0520 -44.0520 -43.9462 -43.9462 -11.9891 -11.9891 1.7610 1.7610 1.8469 1.8469 2.1463 2.1463 2.3449 2.3449 2.4372 2.4372 2.7557 2.7557 2.8586 2.8586 3.2518 3.2518 5.9269 5.9269 12.7349 12.7349 13.0387 13.0387 k = 0.2933 0.2933-0.0000 ( 2424 PWs) bands (ev): -79.6269 -79.6269 -48.4623 -48.4623 -44.0504 -44.0504 -43.9459 -43.9459 -11.9990 -11.9990 1.7795 1.7795 1.8476 1.8476 2.1531 2.1531 2.3295 2.3295 2.4476 2.4476 2.7478 2.7478 2.8432 2.8432 3.2569 3.2569 5.7993 5.7993 12.6614 12.6614 13.1436 13.1436 k = 0.2867 0.2867-0.0000 ( 2416 PWs) bands (ev): -79.6271 -79.6271 -48.4616 -48.4616 -44.0487 -44.0487 -43.9456 -43.9456 -12.0090 -12.0090 1.7921 1.7921 1.8518 1.8518 2.1603 2.1603 2.3090 2.3090 2.4603 2.4603 2.7438 2.7438 2.8298 2.8298 3.2614 3.2614 5.6762 5.6762 12.5703 12.5703 13.2701 13.2701 k = 0.2800 0.2800-0.0000 ( 2408 PWs) bands (ev): -79.6273 -79.6273 -48.4608 -48.4608 -44.0470 -44.0470 -43.9452 -43.9452 -12.0192 -12.0192 1.7986 1.7986 1.8590 1.8590 2.1669 2.1669 2.2867 2.2867 2.4744 2.4744 2.7408 2.7408 2.8200 2.8200 3.2652 3.2652 5.5577 5.5577 12.4753 12.4753 13.4042 13.4042 k = 0.2733 0.2733-0.0000 ( 2408 PWs) bands (ev): -79.6275 -79.6275 -48.4600 -48.4600 -44.0453 -44.0453 -43.9449 -43.9449 -12.0294 -12.0294 1.8006 1.8006 1.8664 1.8664 2.1701 2.1701 2.2671 2.2671 2.4897 2.4897 2.7357 2.7357 2.8165 2.8165 3.2683 3.2683 5.4437 5.4437 12.3800 12.3800 13.5421 13.5421 k = 0.2667 0.2667-0.0000 ( 2404 PWs) bands (ev): -79.6278 -79.6278 -48.4593 -48.4593 -44.0436 -44.0436 -43.9446 -43.9446 -12.0397 -12.0397 1.8002 1.8002 1.8712 1.8712 2.1656 2.1656 2.2565 2.2565 2.5058 2.5058 2.7269 2.7269 2.8202 2.8202 3.2707 3.2707 5.3345 5.3345 12.2858 12.2858 13.6826 13.6826 k = 0.2600 0.2600-0.0000 ( 2408 PWs) bands (ev): -79.6280 -79.6280 -48.4585 -48.4585 -44.0419 -44.0419 -43.9442 -43.9442 -12.0501 -12.0501 1.7984 1.7984 1.8715 1.8715 2.1513 2.1513 2.2578 2.2578 2.5225 2.5225 2.7153 2.7153 2.8299 2.8299 3.2724 3.2724 5.2299 5.2299 12.1931 12.1931 13.8248 13.8248 k = 0.2533 0.2533-0.0000 ( 2406 PWs) bands (ev): -79.6282 -79.6282 -48.4577 -48.4577 -44.0402 -44.0402 -43.9439 -43.9439 -12.0606 -12.0606 1.7952 1.7952 1.8667 1.8667 2.1315 2.1315 2.2677 2.2677 2.5399 2.5399 2.7030 2.7030 2.8437 2.8437 3.2733 3.2733 5.1301 5.1301 12.1024 12.1024 13.9685 13.9685 k = 0.2467 0.2467-0.0000 ( 2406 PWs) bands (ev): -79.6284 -79.6284 -48.4570 -48.4570 -44.0385 -44.0385 -43.9435 -43.9435 -12.0710 -12.0710 1.7901 1.7901 1.8570 1.8570 2.1102 2.1102 2.2819 2.2819 2.5579 2.5579 2.6915 2.6915 2.8603 2.8603 3.2736 3.2736 5.0350 5.0350 12.0137 12.0137 14.1132 14.1132 k = 0.2400 0.2400-0.0000 ( 2410 PWs) bands (ev): -79.6287 -79.6287 -48.4562 -48.4562 -44.0367 -44.0367 -43.9432 -43.9432 -12.0815 -12.0815 1.7816 1.7816 1.8443 1.8443 2.0890 2.0890 2.2982 2.2982 2.5765 2.5765 2.6821 2.6821 2.8786 2.8786 3.2731 3.2731 4.9446 4.9446 11.9271 11.9271 14.2585 14.2585 k = 0.2333 0.2333-0.0000 ( 2410 PWs) bands (ev): -79.6289 -79.6289 -48.4554 -48.4554 -44.0350 -44.0350 -43.9429 -43.9429 -12.0919 -12.0919 1.7673 1.7673 1.8319 1.8319 2.0678 2.0678 2.3155 2.3155 2.5958 2.5958 2.6756 2.6756 2.8981 2.8981 3.2721 3.2721 4.8587 4.8587 11.8427 11.8427 14.4038 14.4038 k = 0.2267 0.2267-0.0000 ( 2412 PWs) bands (ev): -79.6291 -79.6291 -48.4546 -48.4546 -44.0333 -44.0333 -43.9425 -43.9425 -12.1024 -12.1024 1.7457 1.7457 1.8222 1.8222 2.0460 2.0460 2.3332 2.3332 2.6159 2.6159 2.6725 2.6725 2.9186 2.9186 3.2703 3.2703 4.7772 4.7772 11.7606 11.7606 14.5480 14.5480 k = 0.2200 0.2200-0.0000 ( 2408 PWs) bands (ev): -79.6293 -79.6293 -48.4539 -48.4539 -44.0316 -44.0316 -43.9422 -43.9422 -12.1128 -12.1128 1.7180 1.7180 1.8149 1.8149 2.0234 2.0234 2.3510 2.3510 2.6366 2.6366 2.6731 2.6731 2.9396 2.9396 3.2680 3.2680 4.7001 4.7001 11.6808 11.6808 14.6868 14.6868 k = 0.2133 0.2133-0.0000 ( 2408 PWs) bands (ev): -79.6295 -79.6295 -48.4531 -48.4531 -44.0299 -44.0299 -43.9419 -43.9419 -12.1231 -12.1231 1.6864 1.6864 1.8079 1.8079 1.9999 1.9999 2.3689 2.3689 2.6577 2.6577 2.6775 2.6775 2.9611 2.9611 3.2650 3.2650 4.6271 4.6271 11.6033 11.6033 14.8037 14.8037 k = 0.2067 0.2067-0.0000 ( 2404 PWs) bands (ev): -79.6298 -79.6298 -48.4524 -48.4524 -44.0282 -44.0282 -43.9415 -43.9415 -12.1333 -12.1333 1.6525 1.6525 1.7994 1.7994 1.9765 1.9765 2.3869 2.3869 2.6764 2.6764 2.6880 2.6880 2.9829 2.9829 3.2615 3.2615 4.5581 4.5581 11.5281 11.5281 14.8692 14.8692 k = 0.2000 0.2000-0.0000 ( 2402 PWs) bands (ev): -79.6300 -79.6300 -48.4516 -48.4516 -44.0266 -44.0266 -43.9412 -43.9412 -12.1434 -12.1434 1.6174 1.6174 1.7872 1.7872 1.9548 1.9548 2.4053 2.4053 2.6888 2.6888 2.7081 2.7081 3.0048 3.0048 3.2576 3.2576 4.4928 4.4928 11.4553 11.4553 14.9006 14.9006 k = 0.1933 0.1933-0.0000 ( 2398 PWs) bands (ev): -79.6302 -79.6302 -48.4509 -48.4509 -44.0249 -44.0249 -43.9409 -43.9409 -12.1534 -12.1534 1.5817 1.5817 1.7694 1.7694 1.9370 1.9370 2.4241 2.4241 2.7001 2.7001 2.7316 2.7316 3.0267 3.0267 3.2533 3.2533 4.4311 4.4311 11.3848 11.3848 14.9168 14.9168 k = 0.1867 0.1867-0.0000 ( 2406 PWs) bands (ev): -79.6304 -79.6304 -48.4502 -48.4502 -44.0233 -44.0233 -43.9406 -43.9406 -12.1633 -12.1633 1.5458 1.5458 1.7445 1.7445 1.9243 1.9243 2.4434 2.4434 2.7123 2.7123 2.7561 2.7561 3.0486 3.0486 3.2485 3.2485 4.3726 4.3726 11.3167 11.3167 14.9226 14.9226 k = 0.1800 0.1800-0.0000 ( 2406 PWs) bands (ev): -79.6306 -79.6306 -48.4495 -48.4495 -44.0217 -44.0217 -43.9402 -43.9402 -12.1729 -12.1729 1.5103 1.5103 1.7131 1.7131 1.9170 1.9170 2.4633 2.4633 2.7253 2.7253 2.7809 2.7809 3.0703 3.0703 3.2436 3.2436 4.3172 4.3172 11.2510 11.2510 14.9194 14.9194 k = 0.1733 0.1733-0.0000 ( 2406 PWs) bands (ev): -79.6308 -79.6308 -48.4488 -48.4488 -44.0202 -44.0202 -43.9399 -43.9399 -12.1825 -12.1825 1.4752 1.4752 1.6762 1.6762 1.9141 1.9141 2.4838 2.4838 2.7389 2.7389 2.8057 2.8057 3.0918 3.0918 3.2386 3.2386 4.2646 4.2646 11.1876 11.1876 14.9084 14.9084 k = 0.1667 0.1667-0.0000 ( 2406 PWs) bands (ev): -79.6310 -79.6310 -48.4481 -48.4481 -44.0186 -44.0186 -43.9396 -43.9396 -12.1918 -12.1918 1.4410 1.4410 1.6356 1.6356 1.9144 1.9144 2.5049 2.5049 2.7530 2.7530 2.8303 2.8303 3.1131 3.1131 3.2336 3.2336 4.2147 4.2147 11.1266 11.1266 14.8904 14.8904 k = 0.1600 0.1600-0.0000 ( 2404 PWs) bands (ev): -79.6312 -79.6312 -48.4474 -48.4474 -44.0171 -44.0171 -43.9393 -43.9393 -12.2009 -12.2009 1.4074 1.4074 1.5926 1.5926 1.9172 1.9172 2.5264 2.5264 2.7673 2.7673 2.8541 2.8541 3.1339 3.1339 3.2288 3.2288 4.1671 4.1671 11.0681 11.0681 14.8664 14.8664 k = 0.1533 0.1533-0.0000 ( 2404 PWs) bands (ev): -79.6314 -79.6314 -48.4468 -48.4468 -44.0157 -44.0157 -43.9391 -43.9391 -12.2098 -12.2098 1.3749 1.3749 1.5479 1.5479 1.9216 1.9216 2.5484 2.5484 2.7819 2.7819 2.8771 2.8771 3.1543 3.1543 3.2244 3.2244 4.1216 4.1216 11.0119 11.0119 14.8375 14.8375 k = 0.1467 0.1467-0.0000 ( 2408 PWs) bands (ev): -79.6316 -79.6316 -48.4461 -48.4461 -44.0143 -44.0143 -43.9388 -43.9388 -12.2184 -12.2184 1.3433 1.3433 1.5026 1.5026 1.9273 1.9273 2.5705 2.5705 2.7965 2.7965 2.8988 2.8988 3.1742 3.1742 3.2206 3.2206 4.0781 4.0781 10.9580 10.9580 14.8047 14.8047 k = 0.1400 0.1400-0.0000 ( 2400 PWs) bands (ev): -79.6317 -79.6317 -48.4455 -48.4455 -44.0129 -44.0129 -43.9385 -43.9385 -12.2268 -12.2268 1.3129 1.3129 1.4571 1.4571 1.9341 1.9341 2.5929 2.5929 2.8114 2.8114 2.9191 2.9191 3.1933 3.1933 3.2181 3.2181 4.0364 4.0364 10.9066 10.9066 14.7689 14.7689 k = 0.1333 0.1333-0.0000 ( 2400 PWs) bands (ev): -79.6319 -79.6319 -48.4449 -48.4449 -44.0116 -44.0116 -43.9382 -43.9382 -12.2349 -12.2349 1.2837 1.2837 1.4118 1.4118 1.9415 1.9415 2.6151 2.6151 2.8265 2.8265 2.9375 2.9375 3.2096 3.2096 3.2188 3.2188 3.9963 3.9963 10.8575 10.8575 14.7311 14.7311 k = 0.1267 0.1267-0.0000 ( 2396 PWs) bands (ev): -79.6321 -79.6321 -48.4444 -48.4444 -44.0103 -44.0103 -43.9380 -43.9380 -12.2427 -12.2427 1.2556 1.2556 1.3672 1.3672 1.9496 1.9496 2.6370 2.6370 2.8419 2.8419 2.9539 2.9539 3.2135 3.2135 3.2326 3.2326 3.9576 3.9576 10.8109 10.8109 14.6919 14.6919 k = 0.1200 0.1200-0.0000 ( 2402 PWs) bands (ev): -79.6322 -79.6322 -48.4438 -48.4438 -44.0091 -44.0091 -43.9377 -43.9377 -12.2502 -12.2502 1.2288 1.2288 1.3236 1.3236 1.9581 1.9581 2.6583 2.6583 2.8575 2.8575 2.9678 2.9678 3.2148 3.2148 3.2497 3.2497 3.9201 3.9201 10.7666 10.7666 14.6520 14.6520 k = 0.1133 0.1133-0.0000 ( 2400 PWs) bands (ev): -79.6324 -79.6324 -48.4433 -48.4433 -44.0079 -44.0079 -43.9375 -43.9375 -12.2573 -12.2573 1.2033 1.2033 1.2813 1.2813 1.9670 1.9670 2.6787 2.6787 2.8738 2.8738 2.9795 2.9795 3.2175 3.2175 3.2666 3.2666 3.8838 3.8838 10.7247 10.7247 14.6121 14.6121 k = 0.1067 0.1067-0.0000 ( 2400 PWs) bands (ev): -79.6325 -79.6325 -48.4428 -48.4428 -44.0068 -44.0068 -43.9373 -43.9373 -12.2642 -12.2642 1.1791 1.1791 1.2405 1.2405 1.9762 1.9762 2.6980 2.6980 2.8906 2.8906 2.9889 2.9889 3.2219 3.2219 3.2827 3.2827 3.8485 3.8485 10.6852 10.6852 14.5725 14.5725 k = 0.1000 0.1000-0.0000 ( 2400 PWs) bands (ev): -79.6326 -79.6326 -48.4423 -48.4423 -44.0057 -44.0057 -43.9371 -43.9371 -12.2707 -12.2707 1.1562 1.1562 1.2013 1.2013 1.9855 1.9855 2.7157 2.7157 2.9080 2.9080 2.9962 2.9962 3.2278 3.2278 3.2981 3.2981 3.8140 3.8140 10.6481 10.6481 14.5337 14.5337 k = 0.0933 0.0933-0.0000 ( 2399 PWs) bands (ev): -79.6328 -79.6328 -48.4419 -48.4419 -44.0047 -44.0047 -43.9369 -43.9369 -12.2768 -12.2768 1.1347 1.1347 1.1642 1.1642 1.9949 1.9949 2.7318 2.7318 2.9262 2.9262 3.0020 3.0020 3.2350 3.2350 3.3127 3.3127 3.7804 3.7804 10.6134 10.6134 14.4961 14.4961 k = 0.0867 0.0867-0.0000 ( 2407 PWs) bands (ev): -79.6329 -79.6329 -48.4415 -48.4415 -44.0038 -44.0038 -43.9367 -43.9367 -12.2825 -12.2825 1.1142 1.1142 1.1293 1.1293 2.0041 2.0041 2.7459 2.7459 2.9445 2.9445 3.0070 3.0070 3.2432 3.2432 3.3265 3.3265 3.7474 3.7474 10.5811 10.5811 14.4599 14.4599 k = 0.0800 0.0800-0.0000 ( 2407 PWs) bands (ev): -79.6330 -79.6330 -48.4411 -48.4411 -44.0029 -44.0029 -43.9365 -43.9365 -12.2879 -12.2879 1.0923 1.0923 1.0994 1.0994 2.0133 2.0133 2.7579 2.7579 2.9623 2.9623 3.0128 3.0128 3.2521 3.2521 3.3393 3.3393 3.7151 3.7151 10.5511 10.5511 14.4256 14.4256 k = 0.0733 0.0733-0.0000 ( 2407 PWs) bands (ev): -79.6331 -79.6331 -48.4407 -48.4407 -44.0021 -44.0021 -43.9363 -43.9363 -12.2929 -12.2929 1.0635 1.0635 1.0801 1.0801 2.0223 2.0223 2.7679 2.7679 2.9772 2.9772 3.0218 3.0218 3.2612 3.2612 3.3513 3.3513 3.6834 3.6834 10.5236 10.5236 14.3932 14.3932 k = 0.0667 0.0667-0.0000 ( 2397 PWs) bands (ev): -79.6332 -79.6332 -48.4404 -48.4404 -44.0013 -44.0013 -43.9362 -43.9362 -12.2975 -12.2975 1.0354 1.0354 1.0642 1.0642 2.0310 2.0310 2.7760 2.7760 2.9871 2.9871 3.0365 3.0365 3.2705 3.2705 3.3623 3.3623 3.6523 3.6523 10.4985 10.4985 14.3631 14.3631 k = 0.0600 0.0600-0.0000 ( 2401 PWs) bands (ev): -79.6333 -79.6333 -48.4401 -48.4401 -44.0006 -44.0006 -43.9360 -43.9360 -12.3017 -12.3017 1.0094 1.0094 1.0497 1.0497 2.0392 2.0392 2.7823 2.7823 2.9922 2.9922 3.0562 3.0562 3.2793 3.2793 3.3723 3.3723 3.6217 3.6217 10.4757 10.4757 14.3353 14.3353 k = 0.0533 0.0533-0.0000 ( 2401 PWs) bands (ev): -79.6334 -79.6334 -48.4398 -48.4398 -44.0000 -44.0000 -43.9359 -43.9359 -12.3054 -12.3054 0.9860 0.9860 1.0369 1.0369 2.0469 2.0469 2.7869 2.7869 2.9949 2.9949 3.0790 3.0790 3.2877 3.2877 3.3812 3.3812 3.5917 3.5917 10.4554 10.4554 14.3101 14.3101 k = 0.0467 0.0467-0.0000 ( 2401 PWs) bands (ev): -79.6335 -79.6335 -48.4396 -48.4396 -43.9995 -43.9995 -43.9358 -43.9358 -12.3087 -12.3087 0.9651 0.9651 1.0256 1.0256 2.0539 2.0539 2.7903 2.7903 2.9965 2.9965 3.1032 3.1032 3.2954 3.2954 3.3892 3.3892 3.5624 3.5624 10.4374 10.4374 14.2876 14.2876 k = 0.0400 0.0400-0.0000 ( 2401 PWs) bands (ev): -79.6335 -79.6335 -48.4393 -48.4393 -43.9990 -43.9990 -43.9357 -43.9357 -12.3116 -12.3116 0.9469 0.9469 1.0157 1.0157 2.0603 2.0603 2.7925 2.7925 2.9976 2.9976 3.1280 3.1280 3.3024 3.3024 3.3960 3.3960 3.5339 3.5339 10.4218 10.4218 14.2678 14.2678 k = 0.0333 0.0333-0.0000 ( 2397 PWs) bands (ev): -79.6336 -79.6336 -48.4392 -48.4392 -43.9986 -43.9986 -43.9356 -43.9356 -12.3141 -12.3141 0.9314 0.9314 1.0075 1.0075 2.0658 2.0658 2.7940 2.7940 2.9984 2.9984 3.1528 3.1528 3.3085 3.3085 3.4016 3.4016 3.5066 3.5066 10.4086 10.4086 14.2509 14.2509 k = 0.0267 0.0267-0.0000 ( 2395 PWs) bands (ev): -79.6336 -79.6336 -48.4390 -48.4390 -43.9983 -43.9983 -43.9356 -43.9356 -12.3161 -12.3161 0.9187 0.9187 1.0006 1.0006 2.0705 2.0705 2.7948 2.7948 2.9991 2.9991 3.1767 3.1767 3.3136 3.3136 3.4059 3.4059 3.4811 3.4811 10.3979 10.3979 14.2370 14.2370 k = 0.0200 0.0200-0.0000 ( 2395 PWs) bands (ev): -79.6336 -79.6336 -48.4389 -48.4389 -43.9980 -43.9980 -43.9355 -43.9355 -12.3177 -12.3177 0.9088 0.9088 0.9953 0.9953 2.0742 2.0742 2.7952 2.7952 2.9995 2.9995 3.1989 3.1989 3.3178 3.3178 3.4085 3.4085 3.4585 3.4585 10.3895 10.3895 14.2261 14.2261 k = 0.0133 0.0133-0.0000 ( 2389 PWs) bands (ev): -79.6336 -79.6336 -48.4388 -48.4388 -43.9978 -43.9978 -43.9355 -43.9355 -12.3188 -12.3188 0.9017 0.9017 0.9916 0.9916 2.0769 2.0769 2.7954 2.7954 3.0000 3.0000 3.2178 3.2178 3.3211 3.3211 3.4085 3.4085 3.4412 3.4412 10.3835 10.3835 14.2183 14.2183 k = 0.0067 0.0067-0.0000 ( 2389 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3195 -12.3195 0.8974 0.8974 0.9893 0.9893 2.0785 2.0785 2.7955 2.7955 3.0002 3.0002 3.2310 3.2310 3.3232 3.3232 3.4054 3.4054 3.4317 3.4317 10.3799 10.3799 14.2136 14.2136 k = 0.0000 0.0000 0.0000 ( 2401 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3197 -12.3197 0.8960 0.8960 0.9884 0.9884 2.0791 2.0791 2.7954 2.7954 3.0002 3.0002 3.2358 3.2358 3.3238 3.3238 3.4031 3.4031 3.4292 3.4292 10.3787 10.3787 14.2121 14.2121 k = 0.0000 0.0000 0.0000 ( 2401 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3197 -12.3197 0.8960 0.8960 0.9884 0.9884 2.0791 2.0791 2.7954 2.7954 3.0002 3.0002 3.2358 3.2358 3.3238 3.3238 3.4031 3.4031 3.4292 3.4292 10.3787 10.3787 14.2121 14.2121 k = 0.0000 0.0000 0.0093 ( 2396 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3197 -12.3197 0.8946 0.8946 0.9885 0.9885 2.0769 2.0769 2.7969 2.7969 2.9999 2.9999 3.2395 3.2395 3.3234 3.3234 3.4036 3.4036 3.4300 3.4300 10.3719 10.3719 14.2195 14.2195 k = 0.0000 0.0000 0.0186 ( 2388 PWs) bands (ev): -79.6337 -79.6337 -48.4387 -48.4387 -43.9977 -43.9977 -43.9354 -43.9354 -12.3196 -12.3196 0.8903 0.8903 0.9886 0.9886 2.0706 2.0706 2.8009 2.8009 2.9990 2.9990 3.2504 3.2504 3.3224 3.3224 3.4052 3.4052 3.4323 3.4323 10.3515 10.3515 14.2418 14.2418 k = 0.0000 0.0000 0.0279 ( 2392 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3195 -12.3195 0.8831 0.8831 0.9886 0.9886 2.0606 2.0606 2.8067 2.8067 2.9975 2.9975 3.2685 3.2685 3.3206 3.3206 3.4079 3.4079 3.4358 3.4358 10.3182 10.3182 14.2783 14.2783 k = 0.0000 0.0000 0.0372 ( 2396 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3194 -12.3194 0.8732 0.8732 0.9886 0.9886 2.0477 2.0477 2.8134 2.8134 2.9953 2.9953 3.2938 3.2938 3.3182 3.3182 3.4120 3.4120 3.4405 3.4405 10.2727 10.2727 14.3283 14.3283 k = 0.0000 0.0000 0.0465 ( 2396 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3192 -12.3192 0.8608 0.8608 0.9886 0.9886 2.0327 2.0327 2.8202 2.8202 2.9927 2.9927 3.3156 3.3156 3.3252 3.3252 3.4183 3.4183 3.4461 3.4461 10.2161 10.2161 14.3907 14.3907 k = 0.0000 0.0000 0.0558 ( 2404 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9354 -43.9354 -12.3190 -12.3190 0.8460 0.8460 0.9886 0.9886 2.0163 2.0163 2.8262 2.8262 2.9895 2.9895 3.3127 3.3127 3.3600 3.3600 3.4292 3.4292 3.4525 3.4525 10.1494 10.1494 14.4644 14.4644 k = 0.0000 0.0000 0.0651 ( 2408 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3188 -12.3188 0.8290 0.8290 0.9886 0.9886 1.9995 1.9995 2.8312 2.8312 2.9859 2.9859 3.3098 3.3098 3.3899 3.3899 3.4527 3.4527 3.4595 3.4595 10.0740 10.0740 14.5481 14.5481 k = 0.0000 0.0000 0.0744 ( 2408 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3185 -12.3185 0.8101 0.8101 0.9887 0.9887 1.9825 1.9825 2.8347 2.8347 2.9819 2.9819 3.3069 3.3069 3.4073 3.4073 3.4670 3.4670 3.4955 3.4955 9.9909 9.9909 14.6408 14.6408 k = 0.0000 0.0000 0.0837 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3182 -12.3182 0.7895 0.7895 0.9888 0.9888 1.9660 1.9660 2.8370 2.8370 2.9777 2.9777 3.3040 3.3040 3.4176 3.4176 3.4749 3.4749 3.5514 3.5514 9.9016 9.9016 14.7411 14.7411 k = 0.0000 0.0000 0.0931 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3179 -12.3179 0.7676 0.7676 0.9888 0.9888 1.9502 1.9502 2.8380 2.8380 2.9731 2.9731 3.3013 3.3013 3.4256 3.4256 3.4829 3.4829 3.6149 3.6149 9.8069 9.8069 14.8480 14.8480 k = 0.0000 0.0000 0.1024 ( 2396 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3176 -12.3176 0.7445 0.7445 0.9889 0.9889 1.9353 1.9353 2.8379 2.8379 2.9683 2.9683 3.2988 3.2988 3.4328 3.4328 3.4911 3.4911 3.6835 3.6835 9.7079 9.7079 14.9604 14.9604 k = 0.0000 0.0000 0.1117 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3172 -12.3172 0.7206 0.7206 0.9889 0.9889 1.9214 1.9214 2.8368 2.8368 2.9633 2.9633 3.2964 3.2964 3.4397 3.4397 3.4993 3.4993 3.7561 3.7561 9.6057 9.6057 15.0775 15.0775 k = 0.0000 0.0000 0.1210 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3168 -12.3168 0.6963 0.6963 0.9890 0.9890 1.9086 1.9086 2.8351 2.8351 2.9582 2.9582 3.2941 3.2941 3.4464 3.4464 3.5075 3.5075 3.8317 3.8317 9.5012 9.5012 15.1981 15.1981 k = 0.0000 0.0000 0.1303 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3165 -12.3165 0.6717 0.6717 0.9891 0.9891 1.8970 1.8970 2.8327 2.8327 2.9530 2.9530 3.2920 3.2920 3.4531 3.4531 3.5156 3.5156 3.9096 3.9096 9.3951 9.3951 15.3217 15.3217 k = 0.0000 0.0000 0.1396 ( 2404 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3161 -12.3161 0.6471 0.6471 0.9891 0.9891 1.8863 1.8863 2.8299 2.8299 2.9478 2.9478 3.2901 3.2901 3.4596 3.4596 3.5235 3.5235 3.9891 3.9891 9.2883 9.2883 15.4473 15.4473 k = 0.0000 0.0000 0.1489 ( 2412 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3157 -12.3157 0.6228 0.6228 0.9891 0.9891 1.8768 1.8768 2.8268 2.8268 2.9427 2.9427 3.2884 3.2884 3.4659 3.4659 3.5311 3.5311 4.0696 4.0696 9.1816 9.1816 15.5741 15.5741 k = 0.0000 0.0000 0.1582 ( 2404 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3153 -12.3153 0.5991 0.5991 0.9892 0.9892 1.8684 1.8684 2.8237 2.8237 2.9378 2.9378 3.2868 3.2868 3.4720 3.4720 3.5385 3.5385 4.1505 4.1505 9.0756 9.0756 15.7015 15.7015 k = 0.0000 0.0000 0.1675 ( 2404 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3149 -12.3149 0.5762 0.5762 0.9892 0.9892 1.8609 1.8609 2.8203 2.8203 2.9329 2.9329 3.2854 3.2854 3.4780 3.4780 3.5456 3.5456 4.2312 4.2312 8.9712 8.9712 15.8286 15.8286 k = 0.0000 0.0000 0.1768 ( 2404 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3145 -12.3145 0.5542 0.5542 0.9893 0.9893 1.8541 1.8541 2.8169 2.8169 2.9283 2.9283 3.2841 3.2841 3.4837 3.4837 3.5524 3.5524 4.3110 4.3110 8.8690 8.8690 15.9547 15.9547 k = 0.0000 0.0000 0.1861 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3142 -12.3142 0.5333 0.5333 0.9894 0.9894 1.8483 1.8483 2.8138 2.8138 2.9240 2.9240 3.2831 3.2831 3.4890 3.4890 3.5587 3.5587 4.3891 4.3891 8.7699 8.7699 16.0787 16.0787 k = 0.0000 0.0000 0.1954 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3138 -12.3138 0.5138 0.5138 0.9894 0.9894 1.8431 1.8431 2.8106 2.8106 2.9199 2.9199 3.2821 3.2821 3.4941 3.4941 3.5646 3.5646 4.4651 4.4651 8.6747 8.6747 16.1999 16.1999 k = 0.0000 0.0000 0.2047 ( 2408 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3135 -12.3135 0.4956 0.4956 0.9895 0.9895 1.8386 1.8386 2.8075 2.8075 2.9160 2.9160 3.2812 3.2812 3.4987 3.4987 3.5700 3.5700 4.5379 4.5379 8.5842 8.5842 16.3172 16.3172 k = 0.0000 0.0000 0.2140 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3132 -12.3132 0.4793 0.4793 0.9895 0.9895 1.8347 1.8347 2.8047 2.8047 2.9125 2.9125 3.2804 3.2804 3.5030 3.5030 3.5750 3.5750 4.6069 4.6069 8.4994 8.4994 16.4292 16.4292 k = 0.0000 0.0000 0.2233 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3129 -12.3129 0.4645 0.4645 0.9896 0.9896 1.8314 1.8314 2.8022 2.8022 2.9093 2.9093 3.2797 3.2797 3.5068 3.5068 3.5794 3.5794 4.6711 4.6711 8.4211 8.4211 16.5346 16.5346 k = 0.0000 0.0000 0.2326 ( 2400 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3127 -12.3127 0.4515 0.4515 0.9896 0.9896 1.8286 1.8286 2.7999 2.7999 2.9066 2.9066 3.2791 3.2791 3.5102 3.5102 3.5833 3.5833 4.7295 4.7295 8.3503 8.3503 16.6318 16.6318 k = 0.0000 0.0000 0.2419 ( 2408 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3125 -12.3125 0.4403 0.4403 0.9896 0.9896 1.8263 1.8263 2.7978 2.7978 2.9041 2.9041 3.2785 3.2785 3.5131 3.5131 3.5866 3.5866 4.7811 4.7811 8.2882 8.2882 16.7190 16.7190 k = 0.0000 0.0000 0.2512 ( 2408 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3123 -12.3123 0.4311 0.4311 0.9897 0.9897 1.8245 1.8245 2.7962 2.7962 2.9021 2.9021 3.2781 3.2781 3.5155 3.5155 3.5893 3.5893 4.8250 4.8250 8.2356 8.2356 16.7943 16.7943 k = 0.0000 0.0000 0.2605 ( 2416 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3122 -12.3122 0.4239 0.4239 0.9896 0.9896 1.8231 1.8231 2.7948 2.7948 2.9005 2.9005 3.2778 3.2778 3.5173 3.5173 3.5914 3.5914 4.8603 4.8603 8.1936 8.1936 16.8557 16.8557 k = 0.0000 0.0000 0.2699 ( 2416 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3121 -12.3121 0.4187 0.4187 0.9897 0.9897 1.8221 1.8221 2.7939 2.7939 2.8994 2.8994 3.2776 3.2776 3.5186 3.5186 3.5929 3.5929 4.8861 4.8861 8.1629 8.1629 16.9012 16.9012 k = 0.0000 0.0000 0.2792 ( 2416 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3120 -12.3120 0.4156 0.4156 0.9897 0.9897 1.8215 1.8215 2.7933 2.7933 2.8987 2.8987 3.2774 3.2774 3.5195 3.5195 3.5938 3.5938 4.9019 4.9019 8.1442 8.1442 16.9292 16.9292 k = 0.0000 0.0000 0.2885 ( 2408 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3120 -12.3120 0.4146 0.4146 0.9897 0.9897 1.8212 1.8212 2.7932 2.7932 2.8986 2.8986 3.2775 3.2775 3.5198 3.5198 3.5943 3.5943 4.9072 4.9072 8.1379 8.1379 16.9387 16.9387 k = 0.0000 0.0000 0.2885 ( 2408 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3120 -12.3120 0.4146 0.4146 0.9897 0.9897 1.8212 1.8212 2.7932 2.7932 2.8986 2.8986 3.2775 3.2775 3.5198 3.5198 3.5943 3.5943 4.9072 4.9072 8.1379 8.1379 16.9387 16.9387 k = 0.0000 0.0094 0.2885 ( 2418 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3118 -12.3118 0.4160 0.4160 0.9904 0.9904 1.8217 1.8217 2.7928 2.7928 2.8980 2.8980 3.2767 3.2767 3.5187 3.5187 3.5931 3.5931 4.9073 4.9073 8.1409 8.1409 16.9408 16.9408 k = 0.0000 0.0189 0.2885 ( 2418 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9978 -43.9978 -43.9355 -43.9355 -12.3111 -12.3111 0.4203 0.4203 0.9928 0.9928 1.8230 1.8230 2.7916 2.7916 2.8968 2.8968 3.2748 3.2748 3.5154 3.5154 3.5902 3.5902 4.9075 4.9075 8.1499 8.1499 16.9469 16.9469 k = 0.0000 0.0283 0.2885 ( 2418 PWs) bands (ev): -79.6337 -79.6337 -48.4389 -48.4389 -43.9980 -43.9980 -43.9355 -43.9355 -12.3100 -12.3100 0.4274 0.4274 0.9967 0.9967 1.8253 1.8253 2.7896 2.7896 2.8949 2.8949 3.2715 3.2715 3.5095 3.5095 3.5860 3.5860 4.9080 4.9080 8.1648 8.1648 16.9571 16.9571 k = 0.0000 0.0377 0.2885 ( 2406 PWs) bands (ev): -79.6336 -79.6336 -48.4390 -48.4390 -43.9983 -43.9983 -43.9356 -43.9356 -12.3085 -12.3085 0.4373 0.4373 1.0022 1.0022 1.8284 1.8284 2.7867 2.7867 2.8925 2.8925 3.2672 3.2672 3.5003 3.5003 3.5812 3.5812 4.9086 4.9086 8.1855 8.1855 16.9714 16.9714 k = 0.0000 0.0472 0.2885 ( 2406 PWs) bands (ev): -79.6336 -79.6336 -48.4392 -48.4392 -43.9986 -43.9986 -43.9356 -43.9356 -12.3065 -12.3065 0.4500 0.4500 1.0093 1.0093 1.8324 1.8324 2.7826 2.7826 2.8896 2.8896 3.2614 3.2614 3.4871 3.4871 3.5765 3.5765 4.9094 4.9094 8.2120 8.2120 16.9896 16.9896 k = 0.0000 0.0566 0.2885 ( 2406 PWs) bands (ev): -79.6335 -79.6335 -48.4394 -48.4394 -43.9990 -43.9990 -43.9357 -43.9357 -12.3042 -12.3042 0.4652 0.4652 1.0180 1.0180 1.8374 1.8374 2.7770 2.7770 2.8867 2.8867 3.2543 3.2543 3.4696 3.4696 3.5726 3.5726 4.9105 4.9105 8.2440 8.2440 17.0116 17.0116 k = 0.0000 0.0660 0.2885 ( 2406 PWs) bands (ev): -79.6335 -79.6335 -48.4396 -48.4396 -43.9995 -43.9995 -43.9358 -43.9358 -12.3014 -12.3014 0.4829 0.4829 1.0285 1.0285 1.8432 1.8432 2.7698 2.7698 2.8840 2.8840 3.2458 3.2458 3.4479 3.4479 3.5695 3.5695 4.9118 4.9118 8.2814 8.2814 17.0374 17.0374 k = 0.0000 0.0755 0.2885 ( 2406 PWs) bands (ev): -79.6334 -79.6334 -48.4398 -48.4398 -44.0000 -44.0000 -43.9359 -43.9359 -12.2982 -12.2982 0.5029 0.5029 1.0408 1.0408 1.8499 1.8499 2.7608 2.7608 2.8816 2.8816 3.2361 3.2361 3.4223 3.4223 3.5671 3.5671 4.9133 4.9133 8.3240 8.3240 17.0664 17.0664 k = 0.0000 0.0849 0.2885 ( 2396 PWs) bands (ev): -79.6333 -79.6333 -48.4401 -48.4401 -44.0007 -44.0007 -43.9360 -43.9360 -12.2946 -12.2946 0.5251 0.5251 1.0550 1.0550 1.8576 1.8576 2.7501 2.7501 2.8797 2.8797 3.2251 3.2251 3.3935 3.3935 3.5655 3.5655 4.9152 4.9152 8.3716 8.3716 17.0976 17.0976 k = 0.0000 0.0943 0.2885 ( 2400 PWs) bands (ev): -79.6332 -79.6332 -48.4404 -48.4404 -44.0014 -44.0014 -43.9361 -43.9361 -12.2906 -12.2906 0.5492 0.5492 1.0711 1.0711 1.8661 1.8661 2.7375 2.7375 2.8784 2.8784 3.2124 3.2124 3.3618 3.3618 3.5643 3.5643 4.9174 4.9174 8.4240 8.4240 17.1236 17.1236 k = 0.0000 0.1038 0.2885 ( 2402 PWs) bands (ev): -79.6331 -79.6331 -48.4407 -48.4407 -44.0021 -44.0021 -43.9362 -43.9362 -12.2862 -12.2862 0.5749 0.5749 1.0893 1.0893 1.8755 1.8755 2.7231 2.7231 2.8776 2.8776 3.1980 3.1980 3.3281 3.3281 3.5634 3.5634 4.9200 4.9200 8.4809 8.4809 17.0372 17.0372 k = 0.0000 0.1132 0.2885 ( 2398 PWs) bands (ev): -79.6330 -79.6330 -48.4410 -48.4410 -44.0030 -44.0030 -43.9363 -43.9363 -12.2815 -12.2815 0.6022 0.6022 1.1098 1.1098 1.8859 1.8859 2.7071 2.7071 2.8774 2.8774 3.1813 3.1813 3.2934 3.2934 3.5628 3.5628 4.9231 4.9231 8.5422 8.5422 16.8190 16.8190 k = 0.0000 0.1226 0.2885 ( 2390 PWs) bands (ev): -79.6329 -79.6329 -48.4414 -48.4414 -44.0039 -44.0039 -43.9364 -43.9364 -12.2765 -12.2765 0.6306 0.6306 1.1326 1.1326 1.8973 1.8973 2.6896 2.6896 2.8775 2.8775 3.1613 3.1613 3.2589 3.2589 3.5625 3.5625 4.9267 4.9267 8.6076 8.6076 16.5862 16.5862 k = 0.0000 0.1321 0.2885 ( 2396 PWs) bands (ev): -79.6328 -79.6328 -48.4418 -48.4418 -44.0048 -44.0048 -43.9365 -43.9365 -12.2711 -12.2711 0.6597 0.6597 1.1578 1.1578 1.9094 1.9094 2.6708 2.6708 2.8779 2.8779 3.1365 3.1365 3.2265 3.2265 3.5623 3.5623 4.9309 4.9309 8.6769 8.6769 16.3487 16.3487 k = 0.0000 0.1415 0.2885 ( 2396 PWs) bands (ev): -79.6327 -79.6327 -48.4422 -48.4422 -44.0058 -44.0058 -43.9366 -43.9366 -12.2654 -12.2654 0.6894 0.6894 1.1856 1.1856 1.9224 1.9224 2.6509 2.6509 2.8784 2.8784 3.1055 3.1055 3.1982 3.1982 3.5622 3.5622 4.9358 4.9358 8.7498 8.7498 16.1083 16.1083 k = 0.0000 0.1509 0.2885 ( 2400 PWs) bands (ev): -79.6325 -79.6325 -48.4427 -48.4427 -44.0069 -44.0069 -43.9367 -43.9367 -12.2594 -12.2594 0.7192 0.7192 1.2160 1.2160 1.9362 1.9362 2.6302 2.6302 2.8790 2.8790 3.0683 3.0683 3.1743 3.1743 3.5622 3.5622 4.9414 4.9414 8.8263 8.8263 15.8661 15.8661 k = 0.0000 0.1604 0.2885 ( 2396 PWs) bands (ev): -79.6324 -79.6324 -48.4431 -48.4431 -44.0081 -44.0081 -43.9368 -43.9368 -12.2531 -12.2531 0.7489 0.7489 1.2493 1.2493 1.9509 1.9509 2.6088 2.6088 2.8794 2.8794 3.0265 3.0265 3.1540 3.1540 3.5624 3.5624 4.9480 4.9480 8.9059 8.9059 15.6225 15.6225 k = 0.0000 0.1698 0.2885 ( 2394 PWs) bands (ev): -79.6323 -79.6323 -48.4436 -48.4436 -44.0093 -44.0093 -43.9369 -43.9369 -12.2466 -12.2466 0.7783 0.7783 1.2853 1.2853 1.9664 1.9664 2.5870 2.5870 2.8793 2.8793 2.9815 2.9815 3.1359 3.1359 3.5626 3.5626 4.9556 4.9556 8.9886 8.9886 15.3782 15.3782 k = 0.0000 0.1792 0.2885 ( 2404 PWs) bands (ev): -79.6321 -79.6321 -48.4441 -48.4441 -44.0105 -44.0105 -43.9370 -43.9370 -12.2399 -12.2399 0.8070 0.8070 1.3238 1.3238 1.9824 1.9824 2.5648 2.5648 2.8785 2.8785 2.9346 2.9346 3.1195 3.1195 3.5628 3.5628 4.9642 4.9642 9.0742 9.0742 15.1335 15.1335 k = 0.0000 0.1887 0.2885 ( 2404 PWs) bands (ev): -79.6320 -79.6320 -48.4446 -48.4446 -44.0118 -44.0118 -43.9371 -43.9371 -12.2329 -12.2329 0.8350 0.8350 1.3648 1.3648 1.9991 1.9991 2.5429 2.5429 2.8752 2.8752 2.8884 2.8884 3.1045 3.1045 3.5631 3.5631 4.9743 4.9743 9.1624 9.1624 14.8887 14.8887 k = 0.0000 0.1981 0.2885 ( 2408 PWs) bands (ev): -79.6319 -79.6319 -48.4452 -48.4452 -44.0132 -44.0132 -43.9371 -43.9371 -12.2258 -12.2258 0.8620 0.8620 1.4080 1.4080 2.0160 2.0160 2.5212 2.5212 2.8361 2.8361 2.8763 2.8763 3.0911 3.0911 3.5635 3.5635 4.9857 4.9857 9.2531 9.2531 14.6441 14.6441 k = 0.0000 0.2075 0.2885 ( 2412 PWs) bands (ev): -79.6317 -79.6317 -48.4457 -48.4457 -44.0145 -44.0145 -43.9372 -43.9372 -12.2185 -12.2185 0.8881 0.8881 1.4532 1.4532 2.0330 2.0330 2.5003 2.5003 2.7873 2.7873 2.8724 2.8724 3.0792 3.0792 3.5638 3.5638 4.9989 4.9989 9.3462 9.3462 14.3999 14.3999 k = 0.0000 0.2170 0.2885 ( 2412 PWs) bands (ev): -79.6316 -79.6316 -48.4462 -48.4462 -44.0159 -44.0159 -43.9372 -43.9372 -12.2110 -12.2110 0.9133 0.9133 1.5000 1.5000 2.0497 2.0497 2.4806 2.4806 2.7387 2.7387 2.8672 2.8672 3.0690 3.0690 3.5642 3.5642 5.0140 5.0140 9.4414 9.4414 14.1563 14.1563 k = 0.0000 0.2264 0.2885 ( 2414 PWs) bands (ev): -79.6314 -79.6314 -48.4468 -48.4468 -44.0174 -44.0174 -43.9373 -43.9373 -12.2035 -12.2035 0.9374 0.9374 1.5478 1.5478 2.0653 2.0653 2.4623 2.4623 2.6911 2.6911 2.8604 2.8604 3.0608 3.0608 3.5647 3.5647 5.0312 5.0312 9.5386 9.5386 13.9135 13.9135 k = 0.0000 0.2358 0.2885 ( 2414 PWs) bands (ev): -79.6312 -79.6312 -48.4473 -48.4473 -44.0188 -44.0188 -43.9373 -43.9373 -12.1958 -12.1958 0.9606 0.9606 1.5963 1.5963 2.0793 2.0793 2.4456 2.4456 2.6453 2.6453 2.8520 2.8520 3.0546 3.0546 3.5651 3.5651 5.0508 5.0508 9.6376 9.6376 13.6717 13.6717 k = 0.0000 0.2453 0.2885 ( 2404 PWs) bands (ev): -79.6311 -79.6311 -48.4479 -48.4479 -44.0203 -44.0203 -43.9373 -43.9373 -12.1881 -12.1881 0.9828 0.9828 1.6450 1.6450 2.0908 2.0908 2.4304 2.4304 2.6030 2.6030 2.8421 2.8421 3.0504 3.0504 3.5656 3.5656 5.0732 5.0732 9.7383 9.7383 13.4309 13.4309 k = 0.0000 0.2547 0.2885 ( 2404 PWs) bands (ev): -79.6309 -79.6309 -48.4485 -48.4485 -44.0218 -44.0218 -43.9373 -43.9373 -12.1804 -12.1804 1.0042 1.0042 1.6934 1.6934 2.0985 2.0985 2.4149 2.4149 2.5668 2.5668 2.8306 2.8306 3.0479 3.0479 3.5660 3.5660 5.0985 5.0985 9.8405 9.8405 13.1914 13.1914 k = 0.0000 0.2642 0.2885 ( 2416 PWs) bands (ev): -79.6308 -79.6308 -48.4490 -48.4490 -44.0232 -44.0232 -43.9373 -43.9373 -12.1726 -12.1726 1.0246 1.0246 1.7410 1.7410 2.1018 2.1018 2.3958 2.3958 2.5409 2.5409 2.8179 2.8179 3.0470 3.0470 3.5664 3.5664 5.1272 5.1272 9.9440 9.9440 12.9531 12.9531 k = 0.0000 0.2736 0.2885 ( 2416 PWs) bands (ev): -79.6306 -79.6306 -48.4496 -48.4496 -44.0247 -44.0247 -43.9373 -43.9373 -12.1649 -12.1649 1.0443 1.0443 1.7877 1.7877 2.1005 2.1005 2.3700 2.3700 2.5292 2.5292 2.8044 2.8044 3.0476 3.0476 3.5668 3.5668 5.1596 5.1596 10.0487 10.0487 12.7163 12.7163 k = 0.0000 0.2830 0.2885 ( 2420 PWs) bands (ev): -79.6305 -79.6305 -48.4501 -48.4501 -44.0262 -44.0262 -43.9372 -43.9372 -12.1572 -12.1572 1.0631 1.0631 1.8330 1.8330 2.0946 2.0946 2.3372 2.3372 2.5314 2.5314 2.7901 2.7901 3.0493 3.0493 3.5672 3.5672 5.1961 5.1961 10.1543 10.1543 12.4811 12.4811 k = 0.0000 0.2925 0.2885 ( 2420 PWs) bands (ev): -79.6303 -79.6303 -48.4507 -48.4507 -44.0277 -44.0277 -43.9372 -43.9372 -12.1496 -12.1496 1.0812 1.0812 1.8768 1.8768 2.0847 2.0847 2.3002 2.3002 2.5441 2.5441 2.7758 2.7758 3.0520 3.0520 3.5676 3.5676 5.2371 5.2371 10.2607 10.2607 12.2475 12.2475 k = 0.0000 0.3019 0.2885 ( 2420 PWs) bands (ev): -79.6302 -79.6302 -48.4512 -48.4512 -44.0291 -44.0291 -43.9372 -43.9372 -12.1421 -12.1421 1.0985 1.0985 1.9190 1.9190 2.0716 2.0716 2.2614 2.2614 2.5636 2.5636 2.7614 2.7614 3.0556 3.0556 3.5680 3.5680 5.2830 5.2830 10.3677 10.3677 12.0158 12.0158 k = 0.0000 0.3113 0.2885 ( 2420 PWs) bands (ev): -79.6300 -79.6300 -48.4517 -48.4517 -44.0305 -44.0305 -43.9371 -43.9371 -12.1347 -12.1347 1.1150 1.1150 1.9594 1.9594 2.0561 2.0561 2.2225 2.2225 2.5872 2.5872 2.7477 2.7477 3.0598 3.0598 3.5683 3.5683 5.3341 5.3341 10.4748 10.4748 11.7861 11.7861 k = 0.0000 0.3208 0.2885 ( 2424 PWs) bands (ev): -79.6299 -79.6299 -48.4523 -48.4523 -44.0319 -44.0319 -43.9371 -43.9371 -12.1275 -12.1275 1.1308 1.1308 1.9979 1.9979 2.0388 2.0388 2.1843 2.1843 2.6122 2.6122 2.7351 2.7351 3.0645 3.0645 3.5685 3.5685 5.3908 5.3908 10.5815 10.5815 11.5588 11.5588 k = 0.0000 0.3302 0.2885 ( 2420 PWs) bands (ev): -79.6297 -79.6297 -48.4528 -48.4528 -44.0333 -44.0333 -43.9370 -43.9370 -12.1205 -12.1205 1.1459 1.1459 2.0193 2.0193 2.0356 2.0356 2.1476 2.1476 2.6356 2.6356 2.7260 2.7260 3.0698 3.0698 3.5688 3.5688 5.4535 5.4535 10.6869 10.6869 11.3349 11.3349 k = 0.0000 0.3396 0.2885 ( 2420 PWs) bands (ev): -79.6296 -79.6296 -48.4533 -48.4533 -44.0346 -44.0346 -43.9370 -43.9370 -12.1137 -12.1137 1.1601 1.1601 1.9997 1.9997 2.0704 2.0704 2.1128 2.1128 2.6520 2.6520 2.7242 2.7242 3.0755 3.0755 3.5690 3.5690 5.5224 5.5224 10.7860 10.7860 11.1189 11.1189 k = 0.0000 0.3491 0.2885 ( 2420 PWs) bands (ev): -79.6294 -79.6294 -48.4537 -48.4537 -44.0359 -44.0359 -43.9369 -43.9369 -12.1071 -12.1071 1.1736 1.1736 1.9788 1.9788 2.0803 2.0803 2.1041 2.1041 2.6561 2.6561 2.7344 2.7344 3.0815 3.0815 3.5692 3.5692 5.5977 5.5977 10.8192 10.8192 10.9704 10.9704 k = 0.0000 0.3585 0.2885 ( 2420 PWs) bands (ev): -79.6293 -79.6293 -48.4542 -48.4542 -44.0371 -44.0371 -43.9369 -43.9369 -12.1008 -12.1008 1.1863 1.1863 1.9568 1.9568 2.0506 2.0506 2.1362 2.1362 2.6507 2.6507 2.7532 2.7532 3.0878 3.0878 3.5694 3.5694 5.6797 5.6797 10.6435 10.6435 11.0319 11.0319 k = 0.0000 0.3679 0.2885 ( 2414 PWs) bands (ev): -79.6292 -79.6292 -48.4546 -48.4546 -44.0383 -44.0383 -43.9368 -43.9368 -12.0947 -12.0947 1.1983 1.1983 1.9343 1.9343 2.0238 2.0238 2.1668 2.1668 2.6415 2.6415 2.7747 2.7747 3.0943 3.0943 3.5695 3.5695 5.7685 5.7685 10.4319 10.4319 11.1304 11.1304 k = 0.0000 0.3774 0.2885 ( 2420 PWs) bands (ev): -79.6291 -79.6291 -48.4550 -48.4550 -44.0394 -44.0394 -43.9368 -43.9368 -12.0890 -12.0890 1.2094 1.2094 1.9112 1.9112 1.9999 1.9999 2.1958 2.1958 2.6309 2.6309 2.7956 2.7956 3.1008 3.1008 3.5696 3.5696 5.8641 5.8641 10.2183 10.2183 11.2314 11.2314 k = 0.0000 0.3868 0.2885 ( 2416 PWs) bands (ev): -79.6290 -79.6290 -48.4554 -48.4554 -44.0404 -44.0404 -43.9367 -43.9367 -12.0836 -12.0836 1.2198 1.2198 1.8882 1.8882 1.9788 1.9788 2.2233 2.2233 2.6203 2.6203 2.8151 2.8151 3.1074 3.1074 3.5696 3.5696 5.9665 5.9665 10.0060 10.0060 11.3313 11.3313 k = 0.0000 0.3962 0.2885 ( 2416 PWs) bands (ev): -79.6289 -79.6289 -48.4557 -48.4557 -44.0414 -44.0414 -43.9366 -43.9366 -12.0785 -12.0785 1.2294 1.2294 1.8657 1.8657 1.9600 1.9600 2.2493 2.2493 2.6099 2.6099 2.8326 2.8326 3.1139 3.1139 3.5697 3.5697 6.0757 6.0757 9.7957 9.7957 11.4289 11.4289 k = 0.0000 0.4057 0.2885 ( 2416 PWs) bands (ev): -79.6288 -79.6288 -48.4561 -48.4561 -44.0423 -44.0423 -43.9366 -43.9366 -12.0738 -12.0738 1.2381 1.2381 1.8440 1.8440 1.9435 1.9435 2.2736 2.2736 2.6000 2.6000 2.8478 2.8478 3.1202 3.1202 3.5697 3.5697 6.1915 6.1915 9.5877 9.5877 11.5232 11.5232 k = 0.0000 0.4151 0.2885 ( 2414 PWs) bands (ev): -79.6287 -79.6287 -48.4564 -48.4564 -44.0431 -44.0431 -43.9365 -43.9365 -12.0695 -12.0695 1.2461 1.2461 1.8237 1.8237 1.9289 1.9289 2.2963 2.2963 2.5908 2.5908 2.8607 2.8607 3.1262 3.1262 3.5697 3.5697 6.3138 6.3138 9.3824 9.3824 11.6134 11.6134 k = 0.0000 0.4245 0.2885 ( 2422 PWs) bands (ev): -79.6286 -79.6286 -48.4567 -48.4567 -44.0439 -44.0439 -43.9365 -43.9365 -12.0656 -12.0656 1.2532 1.2532 1.8049 1.8049 1.9161 1.9161 2.3171 2.3171 2.5823 2.5823 2.8715 2.8715 3.1317 3.1317 3.5696 3.5696 6.4424 6.4424 9.1798 9.1798 11.6985 11.6985 k = 0.0000 0.4340 0.2885 ( 2420 PWs) bands (ev): -79.6286 -79.6286 -48.4569 -48.4569 -44.0445 -44.0445 -43.9365 -43.9365 -12.0622 -12.0622 1.2595 1.2595 1.7880 1.7880 1.9049 1.9049 2.3359 2.3359 2.5747 2.5747 2.8805 2.8805 3.1367 3.1367 3.5695 3.5695 6.5770 6.5770 8.9801 8.9801 11.7775 11.7775 k = 0.0000 0.4434 0.2885 ( 2420 PWs) bands (ev): -79.6285 -79.6285 -48.4571 -48.4571 -44.0451 -44.0451 -43.9364 -43.9364 -12.0591 -12.0591 1.2649 1.2649 1.7731 1.7731 1.8953 1.8953 2.3527 2.3527 2.5680 2.5680 2.8876 2.8876 3.1412 3.1412 3.5695 3.5695 6.7175 6.7175 8.7836 8.7836 11.8494 11.8494 k = 0.0000 0.4528 0.2885 ( 2424 PWs) bands (ev): -79.6285 -79.6285 -48.4573 -48.4573 -44.0456 -44.0456 -43.9364 -43.9364 -12.0565 -12.0565 1.2695 1.2695 1.7603 1.7603 1.8871 1.8871 2.3673 2.3673 2.5623 2.5623 2.8932 2.8932 3.1450 3.1450 3.5694 3.5694 6.8635 6.8635 8.5903 8.5903 11.9130 11.9130 k = 0.0000 0.4623 0.2885 ( 2420 PWs) bands (ev): -79.6284 -79.6284 -48.4574 -48.4574 -44.0460 -44.0460 -43.9364 -43.9364 -12.0544 -12.0544 1.2734 1.2734 1.7498 1.7498 1.8805 1.8805 2.3795 2.3795 2.5576 2.5576 2.8975 2.8975 3.1481 3.1481 3.5694 3.5694 7.0147 7.0147 8.4006 8.4006 11.9672 11.9672 k = 0.0000 0.4717 0.2885 ( 2420 PWs) bands (ev): -79.6284 -79.6284 -48.4576 -48.4576 -44.0464 -44.0464 -43.9363 -43.9363 -12.0527 -12.0527 1.2763 1.2763 1.7415 1.7415 1.8755 1.8755 2.3891 2.3891 2.5538 2.5538 2.9006 2.9006 3.1505 3.1505 3.5694 3.5694 7.1707 7.1707 8.2147 8.2147 12.0107 12.0107 k = 0.0000 0.4811 0.2885 ( 2408 PWs) bands (ev): -79.6283 -79.6283 -48.4576 -48.4576 -44.0466 -44.0466 -43.9363 -43.9363 -12.0515 -12.0515 1.2785 1.2785 1.7356 1.7356 1.8720 1.8720 2.3962 2.3962 2.5512 2.5512 2.9028 2.9028 3.1523 3.1523 3.5693 3.5693 7.3307 7.3307 8.0335 8.0335 12.0427 12.0427 k = 0.0000 0.4906 0.2885 ( 2408 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0467 -44.0467 -43.9363 -43.9363 -12.0508 -12.0508 1.2798 1.2798 1.7320 1.7320 1.8698 1.8698 2.4005 2.4005 2.5496 2.5496 2.9041 2.9041 3.1534 3.1534 3.5693 3.5693 7.4920 7.4920 7.8594 7.8594 12.0622 12.0622 k = 0.0000 0.5000 0.2885 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2802 1.2802 1.7308 1.7308 1.8690 1.8690 2.4019 2.4019 2.5490 2.5490 2.9044 2.9044 3.1537 3.1537 3.5693 3.5693 7.6121 7.6121 7.7351 7.7351 12.0688 12.0688 k = 0.0000 0.5000 0.2885 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2802 1.2802 1.7308 1.7308 1.8690 1.8690 2.4019 2.4019 2.5490 2.5490 2.9044 2.9044 3.1537 3.1537 3.5693 3.5693 7.6121 7.6121 7.7351 7.7351 12.0688 12.0688 k = 0.0094 0.5000 0.2885 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.2818 1.2818 1.7310 1.7310 1.8689 1.8689 2.3970 2.3970 2.5530 2.5530 2.9045 2.9045 3.1533 3.1533 3.5683 3.5683 7.6142 7.6142 7.7358 7.7358 12.0700 12.0700 k = 0.0189 0.5000 0.2885 ( 2404 PWs) bands (ev): -79.6283 -79.6283 -48.4578 -48.4578 -44.0469 -44.0469 -43.9364 -43.9364 -12.0498 -12.0498 1.2868 1.2868 1.7314 1.7314 1.8689 1.8689 2.3839 2.3839 2.5639 2.5639 2.9046 2.9046 3.1521 3.1521 3.5651 3.5651 7.6204 7.6204 7.7380 7.7380 12.0738 12.0738 k = 0.0283 0.5000 0.2885 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4578 -48.4578 -44.0470 -44.0470 -43.9365 -43.9365 -12.0488 -12.0488 1.2948 1.2948 1.7321 1.7321 1.8688 1.8688 2.3648 2.3648 2.5790 2.5790 2.9046 2.9046 3.1500 3.1500 3.5598 3.5598 7.6307 7.6307 7.7415 7.7415 12.0801 12.0801 k = 0.0377 0.5000 0.2885 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4580 -48.4580 -44.0471 -44.0471 -43.9367 -43.9367 -12.0475 -12.0475 1.3063 1.3063 1.7329 1.7329 1.8685 1.8685 2.3419 2.3419 2.5963 2.5963 2.9046 2.9046 3.1470 3.1470 3.5526 3.5526 7.6452 7.6452 7.7465 7.7465 12.0888 12.0888 k = 0.0472 0.5000 0.2885 ( 2420 PWs) bands (ev): -79.6282 -79.6282 -48.4581 -48.4581 -44.0473 -44.0473 -43.9368 -43.9368 -12.0457 -12.0457 1.3208 1.3208 1.7341 1.7341 1.8681 1.8681 2.3166 2.3166 2.6148 2.6148 2.9046 2.9046 3.1435 3.1435 3.5434 3.5434 7.6636 7.6636 7.7530 7.7530 12.1000 12.1000 k = 0.0566 0.5000 0.2885 ( 2420 PWs) bands (ev): -79.6282 -79.6282 -48.4583 -48.4583 -44.0476 -44.0476 -43.9371 -43.9371 -12.0436 -12.0436 1.3386 1.3386 1.7355 1.7355 1.8676 1.8676 2.2895 2.2895 2.6338 2.6338 2.9046 2.9046 3.1393 3.1393 3.5322 3.5322 7.6859 7.6859 7.7609 7.7609 12.1136 12.1136 k = 0.0660 0.5000 0.2885 ( 2424 PWs) bands (ev): -79.6281 -79.6281 -48.4585 -48.4585 -44.0479 -44.0479 -43.9373 -43.9373 -12.0411 -12.0411 1.3593 1.3593 1.7371 1.7371 1.8669 1.8669 2.2612 2.2612 2.6528 2.6528 2.9044 2.9044 3.1345 3.1345 3.5192 3.5192 7.7120 7.7120 7.7704 7.7704 12.1294 12.1294 k = 0.0755 0.5000 0.2885 ( 2424 PWs) bands (ev): -79.6280 -79.6280 -48.4587 -48.4587 -44.0482 -44.0482 -43.9376 -43.9376 -12.0383 -12.0383 1.3829 1.3829 1.7389 1.7389 1.8659 1.8659 2.2320 2.2320 2.6718 2.6718 2.9041 2.9041 3.1294 3.1294 3.5045 3.5045 7.7417 7.7417 7.7816 7.7816 12.1475 12.1475 k = 0.0849 0.5000 0.2885 ( 2436 PWs) bands (ev): -79.6280 -79.6280 -48.4590 -48.4590 -44.0486 -44.0486 -43.9380 -43.9380 -12.0351 -12.0351 1.4091 1.4091 1.7409 1.7409 1.8647 1.8647 2.2022 2.2022 2.6903 2.6903 2.9036 2.9036 3.1238 3.1238 3.4880 3.4880 7.7741 7.7741 7.7951 7.7951 12.1678 12.1678 k = 0.0943 0.5000 0.2885 ( 2440 PWs) bands (ev): -79.6279 -79.6279 -48.4592 -48.4592 -44.0490 -44.0490 -43.9383 -43.9383 -12.0316 -12.0316 1.4380 1.4380 1.7431 1.7431 1.8632 1.8632 2.1722 2.1722 2.7086 2.7086 2.9029 2.9029 3.1182 3.1182 3.4700 3.4700 7.8024 7.8024 7.8178 7.8178 12.1901 12.1901 k = 0.1038 0.5000 0.2885 ( 2440 PWs) bands (ev): -79.6278 -79.6278 -48.4595 -48.4595 -44.0494 -44.0494 -43.9387 -43.9387 -12.0277 -12.0277 1.4692 1.4692 1.7454 1.7454 1.8612 1.8612 2.1423 2.1423 2.7267 2.7267 2.9019 2.9019 3.1125 3.1125 3.4507 3.4507 7.8205 7.8205 7.8558 7.8558 12.2144 12.2144 k = 0.1132 0.5000 0.2885 ( 2440 PWs) bands (ev): -79.6277 -79.6277 -48.4599 -48.4599 -44.0499 -44.0499 -43.9391 -43.9391 -12.0235 -12.0235 1.5024 1.5024 1.7480 1.7480 1.8586 1.8586 2.1128 2.1128 2.7443 2.7443 2.9005 2.9005 3.1069 3.1069 3.4300 3.4300 7.8380 7.8380 7.8990 7.8990 12.2406 12.2406 k = 0.1226 0.5000 0.2885 ( 2440 PWs) bands (ev): -79.6276 -79.6276 -48.4602 -48.4602 -44.0505 -44.0505 -43.9396 -43.9396 -12.0190 -12.0190 1.5368 1.5368 1.7507 1.7507 1.8555 1.8555 2.0844 2.0844 2.7617 2.7617 2.8987 2.8987 3.1016 3.1016 3.4083 3.4083 7.8569 7.8569 7.9457 7.9457 12.2684 12.2684 k = 0.1321 0.5000 0.2885 ( 2440 PWs) bands (ev): -79.6275 -79.6275 -48.4606 -48.4606 -44.0511 -44.0511 -43.9400 -43.9400 -12.0143 -12.0143 1.5716 1.5716 1.7538 1.7538 1.8519 1.8519 2.0578 2.0578 2.7786 2.7786 2.8965 2.8965 3.0966 3.0966 3.3855 3.3855 7.8773 7.8773 7.9953 7.9953 12.2979 12.2979 k = 0.1415 0.5000 0.2885 ( 2432 PWs) bands (ev): -79.6274 -79.6274 -48.4610 -48.4610 -44.0517 -44.0517 -43.9405 -43.9405 -12.0092 -12.0092 1.6055 1.6055 1.7571 1.7571 1.8483 1.8483 2.0337 2.0337 2.7953 2.7953 2.8938 2.8938 3.0923 3.0923 3.3620 3.3620 7.8994 7.8994 8.0479 8.0479 12.3289 12.3289 k = 0.1509 0.5000 0.2885 ( 2436 PWs) bands (ev): -79.6272 -79.6272 -48.4614 -48.4614 -44.0524 -44.0524 -43.9410 -43.9410 -12.0039 -12.0039 1.6356 1.6356 1.7603 1.7603 1.8461 1.8461 2.0134 2.0134 2.8115 2.8115 2.8906 2.8906 3.0886 3.0886 3.3379 3.3379 7.9232 7.9232 8.1030 8.1030 12.3612 12.3612 k = 0.1604 0.5000 0.2885 ( 2436 PWs) bands (ev): -79.6271 -79.6271 -48.4619 -48.4619 -44.0531 -44.0531 -43.9414 -43.9414 -11.9983 -11.9983 1.6591 1.6591 1.7620 1.7620 1.8484 1.8484 1.9983 1.9983 2.8273 2.8273 2.8870 2.8870 3.0856 3.0856 3.3134 3.3134 7.9488 7.9488 8.1606 8.1606 12.3946 12.3946 k = 0.1698 0.5000 0.2885 ( 2436 PWs) bands (ev): -79.6270 -79.6270 -48.4623 -48.4623 -44.0538 -44.0538 -43.9419 -43.9419 -11.9926 -11.9926 1.6726 1.6726 1.7602 1.7602 1.8580 1.8580 1.9906 1.9906 2.8424 2.8424 2.8834 2.8834 3.0832 3.0832 3.2888 3.2888 7.9762 7.9762 8.2205 8.2205 12.4292 12.4292 k = 0.1792 0.5000 0.2885 ( 2436 PWs) bands (ev): -79.6268 -79.6268 -48.4628 -48.4628 -44.0546 -44.0546 -43.9424 -43.9424 -11.9866 -11.9866 1.6746 1.6746 1.7555 1.7555 1.8720 1.8720 1.9941 1.9941 2.8560 2.8560 2.8806 2.8806 3.0815 3.0815 3.2645 3.2645 8.0056 8.0056 8.2826 8.2826 12.4647 12.4647 k = 0.1887 0.5000 0.2885 ( 2436 PWs) bands (ev): -79.6267 -79.6267 -48.4633 -48.4633 -44.0554 -44.0554 -43.9429 -43.9429 -11.9804 -11.9804 1.6654 1.6654 1.7506 1.7506 1.8833 1.8833 2.0125 2.0125 2.8644 2.8644 2.8826 2.8826 3.0802 3.0802 3.2407 3.2407 8.0370 8.0370 8.3465 8.3465 12.5009 12.5009 k = 0.1981 0.5000 0.2885 ( 2448 PWs) bands (ev): -79.6266 -79.6266 -48.4638 -48.4638 -44.0563 -44.0563 -43.9435 -43.9435 -11.9741 -11.9741 1.6474 1.6474 1.7469 1.7469 1.8880 1.8880 2.0454 2.0454 2.8638 2.8638 2.8928 2.8928 3.0789 3.0789 3.2179 3.2179 8.0705 8.0705 8.4122 8.4122 12.5377 12.5377 k = 0.2075 0.5000 0.2885 ( 2436 PWs) bands (ev): -79.6264 -79.6264 -48.4643 -48.4643 -44.0572 -44.0572 -43.9439 -43.9439 -11.9676 -11.9676 1.6237 1.6237 1.7441 1.7441 1.8881 1.8881 2.0885 2.0885 2.8605 2.8605 2.9058 2.9058 3.0775 3.0775 3.1972 3.1972 8.1061 8.1061 8.4795 8.4795 12.5751 12.5751 k = 0.2170 0.5000 0.2885 ( 2424 PWs) bands (ev): -79.6262 -79.6262 -48.4648 -48.4648 -44.0581 -44.0581 -43.9444 -43.9444 -11.9610 -11.9610 1.5964 1.5964 1.7416 1.7416 1.8856 1.8856 2.1375 2.1375 2.8570 2.8570 2.9190 2.9190 3.0748 3.0748 3.1795 3.1795 8.1440 8.1440 8.5483 8.5483 12.6127 12.6127 k = 0.2264 0.5000 0.2885 ( 2428 PWs) bands (ev): -79.6261 -79.6261 -48.4653 -48.4653 -44.0590 -44.0590 -43.9449 -43.9449 -11.9543 -11.9543 1.5669 1.5669 1.7388 1.7388 1.8816 1.8816 2.1895 2.1895 2.8537 2.8537 2.9316 2.9316 3.0697 3.0697 3.1662 3.1662 8.1841 8.1841 8.6182 8.6182 12.6505 12.6505 k = 0.2358 0.5000 0.2885 ( 2428 PWs) bands (ev): -79.6259 -79.6259 -48.4659 -48.4659 -44.0600 -44.0600 -43.9454 -43.9454 -11.9476 -11.9476 1.5362 1.5362 1.7357 1.7357 1.8769 1.8769 2.2432 2.2432 2.8513 2.8513 2.9432 2.9432 3.0617 3.0617 3.1584 3.1584 8.2267 8.2267 8.6893 8.6893 12.6884 12.6884 k = 0.2453 0.5000 0.2885 ( 2432 PWs) bands (ev): -79.6258 -79.6258 -48.4664 -48.4664 -44.0609 -44.0609 -43.9458 -43.9458 -11.9408 -11.9408 1.5049 1.5049 1.7320 1.7320 1.8715 1.8715 2.2969 2.2969 2.8500 2.8500 2.9531 2.9531 3.0515 3.0515 3.1563 3.1563 8.2717 8.2717 8.7613 8.7613 12.7261 12.7261 k = 0.2547 0.5000 0.2885 ( 2428 PWs) bands (ev): -79.6256 -79.6256 -48.4669 -48.4669 -44.0619 -44.0619 -43.9463 -43.9463 -11.9339 -11.9339 1.4734 1.4734 1.7278 1.7278 1.8655 1.8655 2.3501 2.3501 2.8504 2.8504 2.9601 2.9601 3.0416 3.0416 3.1590 3.1590 8.3194 8.3194 8.8339 8.8339 12.7635 12.7635 k = 0.2642 0.5000 0.2885 ( 2420 PWs) bands (ev): -79.6254 -79.6254 -48.4674 -48.4674 -44.0629 -44.0629 -43.9467 -43.9467 -11.9271 -11.9271 1.4421 1.4421 1.7231 1.7231 1.8590 1.8590 2.4015 2.4015 2.8528 2.8528 2.9623 2.9623 3.0350 3.0350 3.1655 3.1655 8.3697 8.3697 8.9072 8.9072 12.8006 12.8006 k = 0.2736 0.5000 0.2885 ( 2416 PWs) bands (ev): -79.6253 -79.6253 -48.4680 -48.4680 -44.0640 -44.0640 -43.9471 -43.9471 -11.9202 -11.9202 1.4111 1.4111 1.7178 1.7178 1.8520 1.8520 2.4499 2.4499 2.8577 2.8577 2.9581 2.9581 3.0341 3.0341 3.1753 3.1753 8.4228 8.4228 8.9807 8.9807 12.8371 12.8371 k = 0.2830 0.5000 0.2885 ( 2416 PWs) bands (ev): -79.6251 -79.6251 -48.4685 -48.4685 -44.0650 -44.0650 -43.9475 -43.9475 -11.9135 -11.9135 1.3805 1.3805 1.7120 1.7120 1.8444 1.8444 2.4942 2.4942 2.8654 2.8654 2.9488 2.9488 3.0384 3.0384 3.1880 3.1880 8.4787 8.4787 9.0545 9.0545 12.8730 12.8730 k = 0.2925 0.5000 0.2885 ( 2420 PWs) bands (ev): -79.6250 -79.6250 -48.4690 -48.4690 -44.0660 -44.0660 -43.9479 -43.9479 -11.9067 -11.9067 1.3505 1.3505 1.7057 1.7057 1.8364 1.8364 2.5333 2.5333 2.8762 2.8762 2.9368 2.9368 3.0458 3.0458 3.2038 3.2038 8.5375 8.5375 9.1281 9.1281 12.9081 12.9081 k = 0.3019 0.5000 0.2885 ( 2424 PWs) bands (ev): -79.6248 -79.6248 -48.4695 -48.4695 -44.0670 -44.0670 -43.9482 -43.9482 -11.9001 -11.9001 1.3212 1.3212 1.6990 1.6990 1.8279 1.8279 2.5666 2.5666 2.8899 2.8899 2.9242 2.9242 3.0547 3.0547 3.2228 3.2228 8.5993 8.5993 9.2016 9.2016 12.9423 12.9423 k = 0.3113 0.5000 0.2885 ( 2420 PWs) bands (ev): -79.6247 -79.6247 -48.4700 -48.4700 -44.0680 -44.0680 -43.9486 -43.9486 -11.8936 -11.8936 1.2928 1.2928 1.6919 1.6919 1.8190 1.8190 2.5937 2.5937 2.9025 2.9025 2.9157 2.9157 3.0645 3.0645 3.2453 3.2453 8.6642 8.6642 9.2746 9.2746 12.9755 12.9755 k = 0.3208 0.5000 0.2885 ( 2420 PWs) bands (ev): -79.6245 -79.6245 -48.4705 -48.4705 -44.0690 -44.0690 -43.9489 -43.9489 -11.8873 -11.8873 1.2654 1.2654 1.6845 1.6845 1.8097 1.8097 2.6150 2.6150 2.8963 2.8963 2.9283 2.9283 3.0746 3.0746 3.2714 3.2714 8.7321 8.7321 9.3470 9.3470 13.0076 13.0076 k = 0.3302 0.5000 0.2885 ( 2408 PWs) bands (ev): -79.6244 -79.6244 -48.4710 -48.4710 -44.0700 -44.0700 -43.9492 -43.9492 -11.8810 -11.8810 1.2390 1.2390 1.6769 1.6769 1.8003 1.8003 2.6313 2.6313 2.8856 2.8856 2.9469 2.9469 3.0850 3.0850 3.3012 3.3012 8.8031 8.8031 9.4185 9.4185 13.0385 13.0385 k = 0.3396 0.5000 0.2885 ( 2416 PWs) bands (ev): -79.6243 -79.6243 -48.4715 -48.4715 -44.0709 -44.0709 -43.9494 -43.9494 -11.8750 -11.8750 1.2136 1.2136 1.6690 1.6690 1.7906 1.7906 2.6434 2.6434 2.8753 2.8753 2.9650 2.9650 3.0952 3.0952 3.3342 3.3342 8.8770 8.8770 9.4890 9.4890 13.0680 13.0680 k = 0.3491 0.5000 0.2885 ( 2416 PWs) bands (ev): -79.6241 -79.6241 -48.4719 -48.4719 -44.0718 -44.0718 -43.9497 -43.9497 -11.8692 -11.8692 1.1894 1.1894 1.6610 1.6610 1.7808 1.7808 2.6525 2.6525 2.8661 2.8661 2.9818 2.9818 3.1055 3.1055 3.3702 3.3702 8.9539 8.9539 9.5582 9.5582 13.0962 13.0962 k = 0.3585 0.5000 0.2885 ( 2416 PWs) bands (ev): -79.6240 -79.6240 -48.4723 -48.4723 -44.0727 -44.0727 -43.9499 -43.9499 -11.8637 -11.8637 1.1665 1.1665 1.6529 1.6529 1.7710 1.7710 2.6591 2.6591 2.8580 2.8580 2.9969 2.9969 3.1155 3.1155 3.4083 3.4083 9.0336 9.0336 9.6259 9.6259 13.1229 13.1229 k = 0.3679 0.5000 0.2885 ( 2416 PWs) bands (ev): -79.6239 -79.6239 -48.4727 -48.4727 -44.0736 -44.0736 -43.9502 -43.9502 -11.8583 -11.8583 1.1447 1.1447 1.6448 1.6448 1.7613 1.7613 2.6640 2.6640 2.8510 2.8510 3.0100 3.0100 3.1253 3.1253 3.4477 3.4477 9.1158 9.1158 9.6919 9.6919 13.1481 13.1481 k = 0.3774 0.5000 0.2885 ( 2428 PWs) bands (ev): -79.6238 -79.6238 -48.4731 -48.4731 -44.0744 -44.0744 -43.9504 -43.9504 -11.8533 -11.8533 1.1242 1.1242 1.6368 1.6368 1.7517 1.7517 2.6676 2.6676 2.8449 2.8449 3.0212 3.0212 3.1346 3.1346 3.4875 3.4875 9.2002 9.2002 9.7561 9.7561 13.1716 13.1716 k = 0.3868 0.5000 0.2885 ( 2428 PWs) bands (ev): -79.6237 -79.6237 -48.4735 -48.4735 -44.0752 -44.0752 -43.9506 -43.9506 -11.8485 -11.8485 1.1051 1.1051 1.6290 1.6290 1.7426 1.7426 2.6702 2.6702 2.8399 2.8399 3.0309 3.0309 3.1435 3.1435 3.5270 3.5270 9.2863 9.2863 9.8183 9.8183 13.1934 13.1934 k = 0.3962 0.5000 0.2885 ( 2424 PWs) bands (ev): -79.6236 -79.6236 -48.4738 -48.4738 -44.0759 -44.0759 -43.9507 -43.9507 -11.8441 -11.8441 1.0876 1.0876 1.6216 1.6216 1.7339 1.7339 2.6720 2.6720 2.8357 2.8357 3.0392 3.0392 3.1518 3.1518 3.5655 3.5655 9.3735 9.3735 9.8784 9.8784 13.2133 13.2133 k = 0.4057 0.5000 0.2885 ( 2420 PWs) bands (ev): -79.6235 -79.6235 -48.4741 -48.4741 -44.0766 -44.0766 -43.9509 -43.9509 -11.8400 -11.8400 1.0713 1.0713 1.6145 1.6145 1.7256 1.7256 2.6734 2.6734 2.8324 2.8324 3.0464 3.0464 3.1595 3.1595 3.6023 3.6023 9.4608 9.4608 9.9364 9.9364 13.2311 13.2311 k = 0.4151 0.5000 0.2885 ( 2416 PWs) bands (ev): -79.6234 -79.6234 -48.4744 -48.4744 -44.0772 -44.0772 -43.9510 -43.9510 -11.8362 -11.8362 1.0565 1.0565 1.6077 1.6077 1.7179 1.7179 2.6743 2.6743 2.8298 2.8298 3.0525 3.0525 3.1665 3.1665 3.6371 3.6371 9.5471 9.5471 9.9923 9.9923 13.2463 13.2463 k = 0.4245 0.5000 0.2885 ( 2416 PWs) bands (ev): -79.6233 -79.6233 -48.4747 -48.4747 -44.0778 -44.0778 -43.9511 -43.9511 -11.8328 -11.8328 1.0432 1.0432 1.6014 1.6014 1.7108 1.7108 2.6749 2.6749 2.8277 2.8277 3.0578 3.0578 3.1729 3.1729 3.6692 3.6692 9.6308 9.6308 10.0464 10.0464 13.2572 13.2572 k = 0.4340 0.5000 0.2885 ( 2408 PWs) bands (ev): -79.6232 -79.6232 -48.4749 -48.4749 -44.0783 -44.0783 -43.9512 -43.9512 -11.8297 -11.8297 1.0315 1.0315 1.5958 1.5958 1.7045 1.7045 2.6752 2.6752 2.8261 2.8261 3.0622 3.0622 3.1786 3.1786 3.6983 3.6983 9.7100 9.7100 10.0987 10.0987 13.2526 13.2526 k = 0.4434 0.5000 0.2885 ( 2408 PWs) bands (ev): -79.6232 -79.6232 -48.4751 -48.4751 -44.0787 -44.0787 -43.9513 -43.9513 -11.8270 -11.8270 1.0212 1.0212 1.5906 1.5906 1.6989 1.6989 2.6754 2.6754 2.8249 2.8249 3.0660 3.0660 3.1835 3.1835 3.7240 3.7240 9.7827 9.7827 10.1495 10.1495 13.1716 13.1716 k = 0.4528 0.5000 0.2885 ( 2408 PWs) bands (ev): -79.6231 -79.6231 -48.4753 -48.4753 -44.0791 -44.0791 -43.9514 -43.9514 -11.8247 -11.8247 1.0125 1.0125 1.5862 1.5862 1.6940 1.6940 2.6755 2.6755 2.8241 2.8241 3.0690 3.0690 3.1877 3.1877 3.7463 3.7463 9.8466 9.8466 10.1984 10.1984 13.0448 13.0448 k = 0.4623 0.5000 0.2885 ( 2400 PWs) bands (ev): -79.6231 -79.6231 -48.4754 -48.4754 -44.0794 -44.0794 -43.9515 -43.9515 -11.8229 -11.8229 1.0054 1.0054 1.5825 1.5825 1.6901 1.6901 2.6756 2.6756 2.8235 2.8235 3.0716 3.0716 3.1911 3.1911 3.7648 3.7648 9.8999 9.8999 10.2443 10.2443 12.9279 12.9279 k = 0.4717 0.5000 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4755 -48.4755 -44.0796 -44.0796 -43.9515 -43.9515 -11.8214 -11.8214 0.9998 0.9998 1.5796 1.5796 1.6869 1.6869 2.6756 2.6756 2.8231 2.8231 3.0734 3.0734 3.1938 3.1938 3.7793 3.7793 9.9414 9.9414 10.2852 10.2852 12.8307 12.8307 k = 0.4811 0.5000 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4756 -48.4756 -44.0798 -44.0798 -43.9515 -43.9515 -11.8203 -11.8203 0.9958 0.9958 1.5775 1.5775 1.6846 1.6846 2.6756 2.6756 2.8229 2.8229 3.0748 3.0748 3.1957 3.1957 3.7898 3.7898 9.9708 9.9708 10.3179 10.3179 12.7577 12.7577 k = 0.4906 0.5000 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8197 -11.8197 0.9934 0.9934 1.5762 1.5762 1.6833 1.6833 2.6756 2.6756 2.8227 2.8227 3.0756 3.0756 3.1969 3.1969 3.7961 3.7961 9.9883 9.9883 10.3392 10.3392 12.7124 12.7124 k = 0.5000 0.5000 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8195 -11.8195 0.9926 0.9926 1.5758 1.5758 1.6828 1.6828 2.6756 2.6756 2.8227 2.8227 3.0758 3.0758 3.1973 3.1973 3.7982 3.7982 9.9941 9.9941 10.3466 10.3466 12.6970 12.6970 k = 0.5000 0.5000 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8195 -11.8195 0.9926 0.9926 1.5758 1.5758 1.6828 1.6828 2.6756 2.6756 2.8227 2.8227 3.0758 3.0758 3.1973 3.1973 3.7982 3.7982 9.9941 9.9941 10.3466 10.3466 12.6970 12.6970 k = 0.4933 0.4933 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8197 -11.8197 0.9934 0.9934 1.5762 1.5762 1.6833 1.6833 2.6756 2.6756 2.8227 2.8227 3.0756 3.0756 3.1969 3.1969 3.7961 3.7961 9.9881 9.9881 10.3395 10.3395 12.7123 12.7123 k = 0.4867 0.4867 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4756 -48.4756 -44.0798 -44.0798 -43.9515 -43.9515 -11.8203 -11.8203 0.9958 0.9958 1.5775 1.5775 1.6846 1.6846 2.6756 2.6756 2.8228 2.8228 3.0748 3.0748 3.1957 3.1957 3.7898 3.7898 9.9672 9.9672 10.3223 10.3223 12.7568 12.7568 k = 0.4800 0.4800 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4755 -48.4755 -44.0796 -44.0796 -43.9515 -43.9515 -11.8214 -11.8214 0.9998 0.9998 1.5796 1.5796 1.6869 1.6869 2.6756 2.6756 2.8231 2.8231 3.0734 3.0734 3.1938 3.1938 3.7794 3.7794 9.9245 9.9245 10.3054 10.3054 12.8266 12.8266 k = 0.4733 0.4733 0.2885 ( 2400 PWs) bands (ev): -79.6231 -79.6231 -48.4754 -48.4754 -44.0794 -44.0794 -43.9515 -43.9515 -11.8229 -11.8229 1.0053 1.0053 1.5826 1.5826 1.6901 1.6901 2.6756 2.6756 2.8234 2.8234 3.0716 3.0716 3.1911 3.1911 3.7649 3.7649 9.8539 9.8539 10.2997 10.2997 12.9164 12.9164 k = 0.4667 0.4667 0.2885 ( 2404 PWs) bands (ev): -79.6231 -79.6231 -48.4753 -48.4753 -44.0791 -44.0791 -43.9514 -43.9514 -11.8248 -11.8248 1.0124 1.0124 1.5865 1.5865 1.6942 1.6942 2.6755 2.6755 2.8239 2.8239 3.0691 3.0691 3.1877 3.1877 3.7464 3.7464 9.7559 9.7559 10.3093 10.3093 13.0199 13.0199 k = 0.4600 0.4600 0.2885 ( 2410 PWs) bands (ev): -79.6232 -79.6232 -48.4751 -48.4751 -44.0787 -44.0787 -43.9513 -43.9513 -11.8271 -11.8271 1.0210 1.0210 1.5911 1.5911 1.6992 1.6992 2.6754 2.6754 2.8245 2.8245 3.0661 3.0661 3.1836 3.1836 3.7242 3.7242 9.6360 9.6360 10.3331 10.3331 13.1294 13.1294 k = 0.4533 0.4533 0.2885 ( 2412 PWs) bands (ev): -79.6232 -79.6232 -48.4749 -48.4749 -44.0782 -44.0782 -43.9512 -43.9512 -11.8298 -11.8298 1.0312 1.0312 1.5966 1.5966 1.7051 1.7051 2.6752 2.6752 2.8252 2.8252 3.0625 3.0625 3.1788 3.1788 3.6984 3.6984 9.5002 9.5002 10.3685 10.3685 13.2218 13.2218 k = 0.4467 0.4467 0.2885 ( 2412 PWs) bands (ev): -79.6233 -79.6233 -48.4747 -48.4747 -44.0777 -44.0777 -43.9511 -43.9511 -11.8329 -11.8329 1.0429 1.0429 1.6030 1.6030 1.7120 1.7120 2.6748 2.6748 2.8262 2.8262 3.0584 3.0584 3.1732 3.1732 3.6692 3.6692 9.3533 9.3533 10.4136 10.4136 13.2440 13.2440 k = 0.4400 0.4400 0.2885 ( 2416 PWs) bands (ev): -79.6234 -79.6234 -48.4744 -48.4744 -44.0771 -44.0771 -43.9510 -43.9510 -11.8364 -11.8364 1.0560 1.0560 1.6101 1.6101 1.7197 1.7197 2.6743 2.6743 2.8273 2.8273 3.0536 3.0536 3.1670 3.1670 3.6368 3.6368 9.1988 9.1988 10.4670 10.4670 13.2325 13.2325 k = 0.4333 0.4333 0.2885 ( 2416 PWs) bands (ev): -79.6235 -79.6235 -48.4741 -48.4741 -44.0765 -44.0765 -43.9509 -43.9509 -11.8403 -11.8403 1.0705 1.0705 1.6182 1.6182 1.7284 1.7284 2.6736 2.6736 2.8285 2.8285 3.0483 3.0483 3.1601 3.1601 3.6016 3.6016 9.0393 9.0393 10.5277 10.5277 13.2122 13.2122 k = 0.4267 0.4267 0.2885 ( 2428 PWs) bands (ev): -79.6236 -79.6236 -48.4738 -48.4738 -44.0758 -44.0758 -43.9508 -43.9508 -11.8446 -11.8446 1.0862 1.0862 1.6269 1.6269 1.7380 1.7380 2.6726 2.6726 2.8299 2.8299 3.0423 3.0423 3.1525 3.1525 3.5636 3.5636 8.8764 8.8764 10.5950 10.5950 13.1868 13.1868 k = 0.4200 0.4200 0.2885 ( 2428 PWs) bands (ev): -79.6237 -79.6237 -48.4734 -48.4734 -44.0750 -44.0750 -43.9506 -43.9506 -11.8493 -11.8493 1.1034 1.1034 1.6366 1.6366 1.7485 1.7485 2.6713 2.6713 2.8314 2.8314 3.0359 3.0359 3.1442 3.1442 3.5234 3.5234 8.7118 8.7118 10.6686 10.6686 13.1568 13.1568 k = 0.4133 0.4133 0.2885 ( 2426 PWs) bands (ev): -79.6238 -79.6238 -48.4731 -48.4731 -44.0741 -44.0741 -43.9505 -43.9505 -11.8544 -11.8544 1.1218 1.1218 1.6470 1.6470 1.7599 1.7599 2.6698 2.6698 2.8328 2.8328 3.0291 3.0291 3.1352 3.1352 3.4813 3.4813 8.5465 8.5465 10.7479 10.7479 13.1223 13.1223 k = 0.4067 0.4067 0.2885 ( 2418 PWs) bands (ev): -79.6239 -79.6239 -48.4726 -48.4726 -44.0732 -44.0732 -43.9503 -43.9503 -11.8598 -11.8598 1.1415 1.1415 1.6583 1.6583 1.7723 1.7723 2.6681 2.6681 2.8342 2.8342 3.0220 3.0220 3.1253 3.1253 3.4375 3.4375 8.3814 8.3814 10.8325 10.8325 13.0832 13.0832 k = 0.4000 0.4000 0.2885 ( 2418 PWs) bands (ev): -79.6240 -79.6240 -48.4722 -48.4722 -44.0723 -44.0723 -43.9501 -43.9501 -11.8656 -11.8656 1.1622 1.1622 1.6703 1.6703 1.7855 1.7855 2.6659 2.6659 2.8351 2.8351 3.0147 3.0147 3.1143 3.1143 3.3925 3.3925 8.2172 8.2172 10.9223 10.9223 13.0394 13.0394 k = 0.3933 0.3933 0.2885 ( 2418 PWs) bands (ev): -79.6242 -79.6242 -48.4717 -48.4717 -44.0713 -44.0713 -43.9499 -43.9499 -11.8717 -11.8717 1.1840 1.1840 1.6831 1.6831 1.7996 1.7996 2.6633 2.6633 2.8355 2.8355 3.0074 3.0074 3.1021 3.1021 3.3468 3.3468 8.0544 8.0544 11.0167 11.0167 12.9909 12.9909 k = 0.3867 0.3867 0.2885 ( 2418 PWs) bands (ev): -79.6243 -79.6243 -48.4713 -48.4713 -44.0702 -44.0702 -43.9497 -43.9497 -11.8782 -11.8782 1.2067 1.2067 1.6967 1.6967 1.8146 1.8146 2.6604 2.6604 2.8348 2.8348 3.0005 3.0005 3.0884 3.0884 3.3011 3.3011 7.8937 7.8937 11.1156 11.1156 12.9376 12.9376 k = 0.3800 0.3800 0.2885 ( 2416 PWs) bands (ev): -79.6245 -79.6245 -48.4707 -48.4707 -44.0690 -44.0690 -43.9495 -43.9495 -11.8850 -11.8850 1.2302 1.2302 1.7110 1.7110 1.8304 1.8304 2.6570 2.6570 2.8326 2.8326 2.9942 2.9942 3.0727 3.0727 3.2563 3.2563 7.7354 7.7354 11.2187 11.2187 12.8795 12.8795 k = 0.3733 0.3733 0.2885 ( 2416 PWs) bands (ev): -79.6246 -79.6246 -48.4702 -48.4702 -44.0679 -44.0679 -43.9493 -43.9493 -11.8921 -11.8921 1.2545 1.2545 1.7261 1.7261 1.8470 1.8470 2.6533 2.6533 2.8284 2.8284 2.9887 2.9887 3.0545 3.0545 3.2135 3.2135 7.5800 7.5800 11.3257 11.3257 12.8168 12.8168 k = 0.3667 0.3667 0.2885 ( 2420 PWs) bands (ev): -79.6248 -79.6248 -48.4697 -48.4697 -44.0666 -44.0666 -43.9490 -43.9490 -11.8995 -11.8995 1.2793 1.2793 1.7419 1.7419 1.8644 1.8644 2.6490 2.6490 2.8213 2.8213 2.9838 2.9838 3.0334 3.0334 3.1741 3.1741 7.4277 7.4277 11.4363 11.4363 12.7496 12.7496 k = 0.3600 0.3600 0.2885 ( 2420 PWs) bands (ev): -79.6249 -79.6249 -48.4691 -48.4691 -44.0653 -44.0653 -43.9488 -43.9488 -11.9072 -11.9072 1.3047 1.3047 1.7584 1.7584 1.8826 1.8826 2.6442 2.6442 2.8106 2.8106 2.9779 2.9779 3.0112 3.0112 3.1394 3.1394 7.2790 7.2790 11.5501 11.5501 12.6782 12.6782 k = 0.3533 0.3533 0.2885 ( 2422 PWs) bands (ev): -79.6251 -79.6251 -48.4685 -48.4685 -44.0640 -44.0640 -43.9485 -43.9485 -11.9152 -11.9152 1.3304 1.3304 1.7756 1.7756 1.9015 1.9015 2.6388 2.6388 2.7953 2.7953 2.9631 2.9631 2.9962 2.9962 3.1099 3.1099 7.1340 7.1340 11.6666 11.6666 12.6031 12.6031 k = 0.3467 0.3467 0.2885 ( 2426 PWs) bands (ev): -79.6253 -79.6253 -48.4679 -48.4679 -44.0626 -44.0626 -43.9483 -43.9483 -11.9235 -11.9235 1.3564 1.3564 1.7935 1.7935 1.9210 1.9210 2.6328 2.6328 2.7744 2.7744 2.9371 2.9371 2.9924 2.9924 3.0853 3.0853 6.9932 6.9932 11.7851 11.7851 12.5252 12.5252 k = 0.3400 0.3400 0.2885 ( 2430 PWs) bands (ev): -79.6255 -79.6255 -48.4672 -48.4672 -44.0612 -44.0612 -43.9480 -43.9480 -11.9320 -11.9320 1.3823 1.3823 1.8121 1.8121 1.9413 1.9413 2.6258 2.6258 2.7472 2.7472 2.9093 2.9093 2.9924 2.9924 3.0647 3.0647 6.8566 6.8566 11.9039 11.9039 12.4460 12.4460 k = 0.3333 0.3333 0.2885 ( 2438 PWs) bands (ev): -79.6257 -79.6257 -48.4666 -48.4666 -44.0598 -44.0598 -43.9477 -43.9477 -11.9407 -11.9407 1.4081 1.4081 1.8312 1.8312 1.9620 1.9620 2.6175 2.6175 2.7137 2.7137 2.8839 2.8839 2.9922 2.9922 3.0487 3.0487 6.7247 6.7247 12.0177 12.0177 12.3712 12.3712 k = 0.3267 0.3267 0.2885 ( 2434 PWs) bands (ev): -79.6259 -79.6259 -48.4659 -48.4659 -44.0583 -44.0583 -43.9474 -43.9474 -11.9497 -11.9497 1.4335 1.4335 1.8509 1.8509 1.9833 1.9833 2.6070 2.6070 2.6761 2.6761 2.8620 2.8620 2.9878 2.9878 3.0396 3.0396 6.5975 6.5975 12.1025 12.1025 12.3247 12.3247 k = 0.3200 0.3200 0.2885 ( 2430 PWs) bands (ev): -79.6261 -79.6261 -48.4652 -48.4652 -44.0568 -44.0568 -43.9471 -43.9471 -11.9588 -11.9588 1.4584 1.4584 1.8712 1.8712 2.0050 2.0050 2.5905 2.5905 2.6393 2.6393 2.8433 2.8433 2.9771 2.9771 3.0386 3.0386 6.4753 6.4753 12.0953 12.0953 12.3697 12.3697 k = 0.3133 0.3133 0.2885 ( 2434 PWs) bands (ev): -79.6263 -79.6263 -48.4645 -48.4645 -44.0552 -44.0552 -43.9468 -43.9468 -11.9682 -11.9682 1.4823 1.4823 1.8917 1.8917 2.0269 2.0269 2.5600 2.5600 2.6128 2.6128 2.8270 2.8270 2.9620 2.9620 3.0434 3.0434 6.3582 6.3582 12.0219 12.0219 12.4805 12.4805 k = 0.3067 0.3067 0.2885 ( 2428 PWs) bands (ev): -79.6265 -79.6265 -48.4638 -48.4638 -44.0536 -44.0536 -43.9465 -43.9465 -11.9777 -11.9777 1.5051 1.5051 1.9127 1.9127 2.0488 2.0488 2.5170 2.5170 2.5965 2.5965 2.8127 2.8127 2.9452 2.9452 3.0513 3.0513 6.2464 6.2464 11.9304 11.9304 12.6093 12.6093 k = 0.3000 0.3000 0.2885 ( 2424 PWs) bands (ev): -79.6267 -79.6267 -48.4631 -48.4631 -44.0520 -44.0520 -43.9462 -43.9462 -11.9874 -11.9874 1.5264 1.5264 1.9340 1.9340 2.0704 2.0704 2.4697 2.4697 2.5834 2.5834 2.8000 2.8000 2.9278 2.9278 3.0610 3.0610 6.1400 6.1400 11.8319 11.8319 12.7450 12.7450 k = 0.2933 0.2933 0.2885 ( 2432 PWs) bands (ev): -79.6269 -79.6269 -48.4623 -48.4623 -44.0504 -44.0504 -43.9459 -43.9459 -11.9972 -11.9972 1.5456 1.5456 1.9552 1.9552 2.0908 2.0908 2.4218 2.4218 2.5708 2.5708 2.7883 2.7883 2.9108 2.9108 3.0719 3.0719 6.0391 6.0391 11.7295 11.7295 12.8846 12.8846 k = 0.2867 0.2867 0.2885 ( 2432 PWs) bands (ev): -79.6271 -79.6271 -48.4616 -48.4616 -44.0487 -44.0487 -43.9456 -43.9456 -12.0072 -12.0072 1.5627 1.5627 1.9764 1.9764 2.1091 2.1091 2.3760 2.3760 2.5582 2.5582 2.7777 2.7777 2.8947 2.8947 3.0836 3.0836 5.9437 5.9437 11.6245 11.6245 13.0271 13.0271 k = 0.2800 0.2800 0.2885 ( 2432 PWs) bands (ev): -79.6274 -79.6274 -48.4608 -48.4608 -44.0470 -44.0470 -43.9452 -43.9452 -12.0173 -12.0173 1.5769 1.5769 1.9973 1.9973 2.1223 2.1223 2.3352 2.3352 2.5454 2.5454 2.7679 2.7679 2.8802 2.8802 3.0960 3.0960 5.8539 5.8539 11.5176 11.5176 13.1720 13.1720 k = 0.2733 0.2733 0.2885 ( 2432 PWs) bands (ev): -79.6276 -79.6276 -48.4601 -48.4601 -44.0453 -44.0453 -43.9449 -43.9449 -12.0274 -12.0274 1.5880 1.5880 2.0176 2.0176 2.1256 2.1256 2.3049 2.3049 2.5327 2.5327 2.7588 2.7588 2.8677 2.8677 3.1089 3.1089 5.7697 5.7697 11.4090 11.4090 13.3189 13.3189 k = 0.2667 0.2667 0.2885 ( 2428 PWs) bands (ev): -79.6278 -79.6278 -48.4593 -48.4593 -44.0436 -44.0436 -43.9446 -43.9446 -12.0377 -12.0377 1.5955 1.5955 2.0365 2.0365 2.1133 2.1133 2.2915 2.2915 2.5202 2.5202 2.7506 2.7506 2.8574 2.8574 3.1224 3.1224 5.6909 5.6909 11.2993 11.2993 13.4676 13.4676 k = 0.2600 0.2600 0.2885 ( 2428 PWs) bands (ev): -79.6280 -79.6280 -48.4585 -48.4585 -44.0419 -44.0419 -43.9442 -43.9442 -12.0479 -12.0479 1.5988 1.5988 2.0508 2.0508 2.0880 2.0880 2.2952 2.2952 2.5085 2.5085 2.7436 2.7436 2.8496 2.8496 3.1362 3.1362 5.6175 5.6175 11.1887 11.1887 13.6180 13.6180 k = 0.2533 0.2533 0.2885 ( 2428 PWs) bands (ev): -79.6282 -79.6282 -48.4577 -48.4577 -44.0402 -44.0402 -43.9439 -43.9439 -12.0582 -12.0582 1.5978 1.5978 2.0349 2.0349 2.0811 2.0811 2.3098 2.3098 2.4978 2.4978 2.7381 2.7381 2.8443 2.8443 3.1503 3.1503 5.5493 5.5493 11.0773 11.0773 13.7698 13.7698 k = 0.2467 0.2467 0.2885 ( 2428 PWs) bands (ev): -79.6285 -79.6285 -48.4570 -48.4570 -44.0385 -44.0385 -43.9436 -43.9436 -12.0686 -12.0686 1.5919 1.5919 1.9930 1.9930 2.0933 2.0933 2.3302 2.3302 2.4887 2.4887 2.7347 2.7347 2.8415 2.8415 3.1647 3.1647 5.4863 5.4863 10.9656 10.9656 13.9230 13.9230 k = 0.2400 0.2400 0.2885 ( 2428 PWs) bands (ev): -79.6287 -79.6287 -48.4562 -48.4562 -44.0368 -44.0368 -43.9432 -43.9432 -12.0789 -12.0789 1.5811 1.5811 1.9465 1.9465 2.1055 2.1055 2.3536 2.3536 2.4819 2.4819 2.7336 2.7336 2.8408 2.8408 3.1793 3.1793 5.4281 5.4281 10.8536 10.8536 14.0775 14.0775 k = 0.2333 0.2333 0.2885 ( 2432 PWs) bands (ev): -79.6289 -79.6289 -48.4554 -48.4554 -44.0350 -44.0350 -43.9429 -43.9429 -12.0892 -12.0892 1.5652 1.5652 1.8987 1.8987 2.1151 2.1151 2.3786 2.3786 2.4778 2.4778 2.7353 2.7353 2.8422 2.8422 3.1941 3.1941 5.3747 5.3747 10.7416 10.7416 14.2330 14.2330 k = 0.2267 0.2267 0.2885 ( 2432 PWs) bands (ev): -79.6291 -79.6291 -48.4547 -48.4547 -44.0333 -44.0333 -43.9426 -43.9426 -12.0995 -12.0995 1.5444 1.5444 1.8505 1.8505 2.1217 2.1217 2.4043 2.4043 2.4772 2.4772 2.7399 2.7399 2.8456 2.8456 3.2090 3.2090 5.3257 5.3257 10.6297 10.6297 14.3896 14.3896 k = 0.2200 0.2200 0.2885 ( 2424 PWs) bands (ev): -79.6293 -79.6293 -48.4539 -48.4539 -44.0316 -44.0316 -43.9422 -43.9422 -12.1097 -12.1097 1.5188 1.5188 1.8028 1.8028 2.1249 2.1249 2.4297 2.4297 2.4809 2.4809 2.7476 2.7476 2.8509 2.8509 3.2240 3.2240 5.2810 5.2810 10.5182 10.5182 14.5470 14.5470 k = 0.2133 0.2133 0.2885 ( 2424 PWs) bands (ev): -79.6296 -79.6296 -48.4531 -48.4531 -44.0299 -44.0299 -43.9419 -43.9419 -12.1199 -12.1199 1.4886 1.4886 1.7556 1.7556 2.1246 2.1246 2.4530 2.4530 2.4902 2.4902 2.7580 2.7580 2.8579 2.8579 3.2391 3.2391 5.2402 5.2402 10.4072 10.4072 14.7051 14.7051 k = 0.2067 0.2067 0.2885 ( 2414 PWs) bands (ev): -79.6298 -79.6298 -48.4524 -48.4524 -44.0282 -44.0282 -43.9416 -43.9416 -12.1299 -12.1299 1.4543 1.4543 1.7095 1.7095 2.1212 2.1212 2.4718 2.4718 2.5071 2.5071 2.7714 2.7714 2.8667 2.8667 3.2543 3.2543 5.2032 5.2032 10.2969 10.2969 14.8638 14.8638 k = 0.2000 0.2000 0.2885 ( 2414 PWs) bands (ev): -79.6300 -79.6300 -48.4516 -48.4516 -44.0266 -44.0266 -43.9412 -43.9412 -12.1399 -12.1399 1.4163 1.4163 1.6644 1.6644 2.1148 2.1148 2.4871 2.4871 2.5299 2.5299 2.7873 2.7873 2.8771 2.8771 3.2694 3.2694 5.1696 5.1696 10.1874 10.1874 15.0230 15.0230 k = 0.1933 0.1933 0.2885 ( 2414 PWs) bands (ev): -79.6302 -79.6302 -48.4509 -48.4509 -44.0249 -44.0249 -43.9409 -43.9409 -12.1497 -12.1497 1.3750 1.3750 1.6208 1.6208 2.1061 2.1061 2.5015 2.5015 2.5551 2.5551 2.8056 2.8056 2.8891 2.8891 3.2846 3.2846 5.1392 5.1392 10.0789 10.0789 15.1824 15.1824 k = 0.1867 0.1867 0.2885 ( 2414 PWs) bands (ev): -79.6304 -79.6304 -48.4502 -48.4502 -44.0233 -44.0233 -43.9406 -43.9406 -12.1593 -12.1593 1.3310 1.3310 1.5785 1.5785 2.0955 2.0955 2.5162 2.5162 2.5807 2.5807 2.8261 2.8261 2.9027 2.9027 3.2996 3.2996 5.1119 5.1119 9.9716 9.9716 15.3420 15.3420 k = 0.1800 0.1800 0.2885 ( 2410 PWs) bands (ev): -79.6306 -79.6306 -48.4495 -48.4495 -44.0217 -44.0217 -43.9403 -43.9403 -12.1688 -12.1688 1.2849 1.2849 1.5378 1.5378 2.0835 2.0835 2.5316 2.5316 2.6059 2.6059 2.8489 2.8489 2.9178 2.9178 3.3147 3.3147 5.0872 5.0872 9.8655 9.8655 15.5015 15.5015 k = 0.1733 0.1733 0.2885 ( 2394 PWs) bands (ev): -79.6308 -79.6308 -48.4488 -48.4488 -44.0202 -44.0202 -43.9400 -43.9400 -12.1782 -12.1782 1.2372 1.2372 1.4988 1.4988 2.0704 2.0704 2.5476 2.5476 2.6300 2.6300 2.8739 2.8739 2.9343 2.9343 3.3296 3.3296 5.0652 5.0652 9.7610 9.7610 15.6606 15.6606 k = 0.1667 0.1667 0.2885 ( 2376 PWs) bands (ev): -79.6309 -79.6309 -48.4481 -48.4481 -44.0186 -44.0186 -43.9396 -43.9396 -12.1873 -12.1873 1.1884 1.1884 1.4611 1.4611 2.0567 2.0567 2.5639 2.5639 2.6529 2.6529 2.9008 2.9008 2.9522 2.9522 3.3444 3.3444 5.0454 5.0454 9.6581 9.6581 15.8190 15.8190 k = 0.1600 0.1600 0.2885 ( 2388 PWs) bands (ev): -79.6312 -79.6312 -48.4474 -48.4474 -44.0171 -44.0171 -43.9394 -43.9394 -12.1962 -12.1962 1.1389 1.1389 1.4248 1.4248 2.0423 2.0423 2.5801 2.5801 2.6740 2.6740 2.9293 2.9293 2.9709 2.9709 3.3589 3.3589 5.0277 5.0277 9.5569 9.5569 15.9765 15.9765 k = 0.1533 0.1533 0.2885 ( 2400 PWs) bands (ev): -79.6314 -79.6314 -48.4468 -48.4468 -44.0157 -44.0157 -43.9391 -43.9391 -12.2049 -12.2049 1.0892 1.0892 1.3898 1.3898 2.0276 2.0276 2.5963 2.5963 2.6935 2.6935 2.9591 2.9591 2.9909 2.9909 3.3730 3.3730 5.0119 5.0119 9.4576 9.4576 16.1324 16.1324 k = 0.1467 0.1467 0.2885 ( 2404 PWs) bands (ev): -79.6315 -79.6315 -48.4461 -48.4461 -44.0143 -44.0143 -43.9388 -43.9388 -12.2133 -12.2133 1.0398 1.0398 1.3563 1.3563 2.0129 2.0129 2.6122 2.6122 2.7117 2.7117 2.9892 2.9892 3.0125 3.0125 3.3871 3.3871 4.9978 4.9978 9.3605 9.3605 16.2864 16.2864 k = 0.1400 0.1400 0.2885 ( 2404 PWs) bands (ev): -79.6317 -79.6317 -48.4455 -48.4455 -44.0129 -44.0129 -43.9385 -43.9385 -12.2215 -12.2215 0.9909 0.9909 1.3242 1.3242 1.9982 1.9982 2.6278 2.6278 2.7286 2.7286 3.0174 3.0174 3.0377 3.0377 3.4009 3.4009 4.9854 4.9854 9.2656 9.2656 16.4378 16.4378 k = 0.1333 0.1333 0.2885 ( 2402 PWs) bands (ev): -79.6319 -79.6319 -48.4449 -48.4449 -44.0116 -44.0116 -43.9383 -43.9383 -12.2294 -12.2294 0.9429 0.9429 1.2936 1.2936 1.9837 1.9837 2.6430 2.6430 2.7443 2.7443 3.0415 3.0415 3.0679 3.0679 3.4144 3.4144 4.9744 4.9744 9.1732 9.1732 16.5859 16.5859 k = 0.1267 0.1267 0.2885 ( 2398 PWs) bands (ev): -79.6320 -79.6320 -48.4444 -48.4444 -44.0103 -44.0103 -43.9380 -43.9380 -12.2370 -12.2370 0.8961 0.8961 1.2645 1.2645 1.9695 1.9695 2.6575 2.6575 2.7589 2.7589 3.0630 3.0630 3.1012 3.1012 3.4275 3.4275 4.9647 4.9647 9.0833 9.0833 16.7298 16.7298 k = 0.1200 0.1200 0.2885 ( 2400 PWs) bands (ev): -79.6322 -79.6322 -48.4438 -48.4438 -44.0091 -44.0091 -43.9378 -43.9378 -12.2443 -12.2443 0.8505 0.8505 1.2368 1.2368 1.9556 1.9556 2.6714 2.6714 2.7727 2.7727 3.0831 3.0831 3.1357 3.1357 3.4403 3.4403 4.9561 4.9561 8.9963 8.9963 16.8691 16.8691 k = 0.1133 0.1133 0.2885 ( 2400 PWs) bands (ev): -79.6324 -79.6324 -48.4433 -48.4433 -44.0079 -44.0079 -43.9375 -43.9375 -12.2513 -12.2513 0.8066 0.8066 1.2104 1.2104 1.9422 1.9422 2.6847 2.6847 2.7856 2.7856 3.1024 3.1024 3.1707 3.1707 3.4527 3.4527 4.9486 4.9486 8.9123 8.9123 17.0032 17.0032 k = 0.1067 0.1067 0.2885 ( 2400 PWs) bands (ev): -79.6325 -79.6325 -48.4428 -48.4428 -44.0068 -44.0068 -43.9373 -43.9373 -12.2580 -12.2580 0.7644 0.7644 1.1855 1.1855 1.9293 1.9293 2.6972 2.6972 2.7978 2.7978 3.1210 3.1210 3.2056 3.2056 3.4648 3.4648 4.9421 4.9421 8.8315 8.8315 17.1304 17.1304 k = 0.1000 0.1000 0.2885 ( 2394 PWs) bands (ev): -79.6326 -79.6326 -48.4423 -48.4423 -44.0057 -44.0057 -43.9371 -43.9371 -12.2643 -12.2643 0.7241 0.7241 1.1620 1.1620 1.9170 1.9170 2.7091 2.7091 2.8094 2.8094 3.1389 3.1389 3.2400 3.2400 3.4764 3.4764 4.9364 4.9364 8.7540 8.7540 17.2408 17.2408 k = 0.0933 0.0933 0.2885 ( 2402 PWs) bands (ev): -79.6328 -79.6328 -48.4419 -48.4419 -44.0047 -44.0047 -43.9369 -43.9369 -12.2703 -12.2703 0.6858 0.6858 1.1399 1.1399 1.9052 1.9052 2.7200 2.7200 2.8203 2.8203 3.1558 3.1558 3.2736 3.2736 3.4874 3.4874 4.9314 4.9314 8.6801 8.6801 17.2840 17.2840 k = 0.0867 0.0867 0.2885 ( 2402 PWs) bands (ev): -79.6329 -79.6329 -48.4415 -48.4415 -44.0038 -44.0038 -43.9367 -43.9367 -12.2759 -12.2759 0.6497 0.6497 1.1194 1.1194 1.8941 1.8941 2.7302 2.7302 2.8305 2.8305 3.1719 3.1719 3.3061 3.3061 3.4982 3.4982 4.9271 4.9271 8.6101 8.6101 17.2571 17.2571 k = 0.0800 0.0800 0.2885 ( 2402 PWs) bands (ev): -79.6330 -79.6330 -48.4411 -48.4411 -44.0029 -44.0029 -43.9365 -43.9365 -12.2811 -12.2811 0.6160 0.6160 1.1003 1.1003 1.8837 1.8837 2.7396 2.7396 2.8401 2.8401 3.1869 3.1869 3.3373 3.3373 3.5085 3.5085 4.9234 4.9234 8.5440 8.5440 17.2167 17.2167 k = 0.0733 0.0733 0.2885 ( 2402 PWs) bands (ev): -79.6331 -79.6331 -48.4407 -48.4407 -44.0021 -44.0021 -43.9364 -43.9364 -12.2859 -12.2859 0.5845 0.5845 1.0828 1.0828 1.8740 1.8740 2.7483 2.7483 2.8491 2.8491 3.2010 3.2010 3.3667 3.3667 3.5185 3.5185 4.9203 4.9203 8.4822 8.4822 17.1756 17.1756 k = 0.0667 0.0667 0.2885 ( 2402 PWs) bands (ev): -79.6332 -79.6332 -48.4404 -48.4404 -44.0013 -44.0013 -43.9362 -43.9362 -12.2904 -12.2904 0.5556 0.5556 1.0667 1.0667 1.8650 1.8650 2.7562 2.7562 2.8575 2.8575 3.2140 3.2140 3.3941 3.3941 3.5280 3.5280 4.9176 4.9176 8.4248 8.4248 17.1365 17.1365 k = 0.0600 0.0600 0.2885 ( 2402 PWs) bands (ev): -79.6333 -79.6333 -48.4401 -48.4401 -44.0006 -44.0006 -43.9361 -43.9361 -12.2944 -12.2944 0.5292 0.5292 1.0521 1.0521 1.8569 1.8569 2.7633 2.7633 2.8651 2.8651 3.2258 3.2258 3.4193 3.4193 3.5373 3.5373 4.9153 4.9153 8.3721 8.3721 17.1002 17.1002 k = 0.0533 0.0533 0.2885 ( 2398 PWs) bands (ev): -79.6334 -79.6334 -48.4398 -48.4398 -44.0000 -44.0000 -43.9359 -43.9359 -12.2981 -12.2981 0.5054 0.5054 1.0391 1.0391 1.8495 1.8495 2.7696 2.7696 2.8720 2.8720 3.2366 3.2366 3.4419 3.4419 3.5463 3.5463 4.9134 4.9134 8.3243 8.3243 17.0671 17.0671 k = 0.0467 0.0467 0.2885 ( 2406 PWs) bands (ev): -79.6335 -79.6335 -48.4396 -48.4396 -43.9995 -43.9995 -43.9358 -43.9358 -12.3013 -12.3013 0.4843 0.4843 1.0275 1.0275 1.8430 1.8430 2.7751 2.7751 2.8781 2.8781 3.2460 3.2460 3.4615 3.4615 3.5550 3.5550 4.9118 4.9118 8.2815 8.2815 17.0375 17.0375 k = 0.0400 0.0400 0.2885 ( 2406 PWs) bands (ev): -79.6335 -79.6335 -48.4394 -48.4394 -43.9990 -43.9990 -43.9357 -43.9357 -12.3041 -12.3041 0.4659 0.4659 1.0175 1.0175 1.8373 1.8373 2.7800 2.7800 2.8834 2.8834 3.2543 3.2543 3.4782 3.4782 3.5636 3.5636 4.9105 4.9105 8.2440 8.2440 17.0116 17.0116 k = 0.0333 0.0333 0.2885 ( 2406 PWs) bands (ev): -79.6336 -79.6336 -48.4392 -48.4392 -43.9986 -43.9986 -43.9357 -43.9357 -12.3065 -12.3065 0.4503 0.4503 1.0090 1.0090 1.8324 1.8324 2.7840 2.7840 2.8880 2.8880 3.2614 3.2614 3.4918 3.4918 3.5716 3.5716 4.9094 4.9094 8.2120 8.2120 16.9895 16.9895 k = 0.0267 0.0267 0.2885 ( 2406 PWs) bands (ev): -79.6336 -79.6336 -48.4390 -48.4390 -43.9983 -43.9983 -43.9356 -43.9356 -12.3085 -12.3085 0.4375 0.4375 1.0020 1.0020 1.8285 1.8285 2.7874 2.7874 2.8918 2.8918 3.2672 3.2672 3.5024 3.5024 3.5790 3.5790 4.9086 4.9086 8.1855 8.1855 16.9713 16.9713 k = 0.0200 0.0200 0.2885 ( 2410 PWs) bands (ev): -79.6336 -79.6336 -48.4389 -48.4389 -43.9980 -43.9980 -43.9355 -43.9355 -12.3100 -12.3100 0.4275 0.4275 0.9966 0.9966 1.8253 1.8253 2.7899 2.7899 2.8947 2.8947 3.2717 3.2717 3.5102 3.5102 3.5853 3.5853 4.9080 4.9080 8.1648 8.1648 16.9571 16.9571 k = 0.0133 0.0133 0.2885 ( 2414 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9978 -43.9978 -43.9355 -43.9355 -12.3111 -12.3111 0.4203 0.4203 0.9928 0.9928 1.8231 1.8231 2.7917 2.7917 2.8968 2.8968 3.2748 3.2748 3.5156 3.5156 3.5901 3.5901 4.9075 4.9075 8.1499 8.1499 16.9469 16.9469 k = 0.0067 0.0067 0.2885 ( 2410 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3118 -12.3118 0.4160 0.4160 0.9905 0.9905 1.8218 1.8218 2.7928 2.7928 2.8981 2.8981 3.2768 3.2768 3.5187 3.5187 3.5932 3.5932 4.9073 4.9073 8.1409 8.1409 16.9408 16.9408 k = 0.0000 0.0000 0.2885 ( 2408 PWs) bands (ev): -79.6337 -79.6337 -48.4388 -48.4388 -43.9977 -43.9977 -43.9355 -43.9355 -12.3120 -12.3120 0.4146 0.4146 0.9897 0.9897 1.8212 1.8212 2.7932 2.7932 2.8986 2.8986 3.2775 3.2775 3.5198 3.5198 3.5943 3.5943 4.9072 4.9072 8.1379 8.1379 16.9387 16.9387 k = 0.0000 0.5000-0.0000 ( 2402 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0503 -12.0503 1.1511 1.1511 1.3939 1.3939 1.5544 1.5544 2.5172 2.5172 3.0237 3.0237 3.2800 3.2800 3.4075 3.4075 3.5970 3.5970 6.8147 6.8147 8.0957 8.0957 11.7872 11.7872 k = 0.0000 0.5000 0.0093 ( 2402 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0503 -12.0503 1.1515 1.1515 1.3946 1.3946 1.5547 1.5547 2.5173 2.5173 3.0234 3.0234 3.2789 3.2789 3.4061 3.4061 3.5969 3.5969 6.8169 6.8169 8.0947 8.0947 11.7881 11.7881 k = 0.0000 0.5000 0.0186 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1527 1.1527 1.3965 1.3965 1.5555 1.5555 2.5174 2.5174 3.0223 3.0223 3.2756 3.2756 3.4020 3.4020 3.5967 3.5967 6.8234 6.8234 8.0915 8.0915 11.7907 11.7907 k = 0.0000 0.5000 0.0279 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1547 1.1547 1.3998 1.3998 1.5570 1.5570 2.5176 2.5176 3.0206 3.0206 3.2703 3.2703 3.3955 3.3955 3.5963 3.5963 6.8342 6.8342 8.0862 8.0862 11.7952 11.7952 k = 0.0000 0.5000 0.0372 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1574 1.1574 1.4045 1.4045 1.5591 1.5591 2.5178 2.5178 3.0180 3.0180 3.2626 3.2626 3.3867 3.3867 3.5957 3.5957 6.8490 6.8490 8.0789 8.0789 11.8012 11.8012 k = 0.0000 0.5000 0.0465 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1609 1.1609 1.4105 1.4105 1.5618 1.5618 2.5182 2.5182 3.0146 3.0146 3.2529 3.2529 3.3760 3.3760 3.5950 3.5950 6.8678 6.8678 8.0697 8.0697 11.8089 11.8089 k = 0.0000 0.5000 0.0558 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1650 1.1650 1.4178 1.4178 1.5652 1.5652 2.5186 2.5186 3.0101 3.0101 3.2409 3.2409 3.3637 3.3637 3.5943 3.5943 6.8902 6.8902 8.0588 8.0588 11.8180 11.8180 k = 0.0000 0.5000 0.0651 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1698 1.1698 1.4264 1.4264 1.5692 1.5692 2.5191 2.5191 3.0044 3.0044 3.2268 3.2268 3.3502 3.3502 3.5933 3.5933 6.9160 6.9160 8.0463 8.0463 11.8283 11.8283 k = 0.0000 0.5000 0.0744 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1751 1.1751 1.4363 1.4363 1.5739 1.5739 2.5196 2.5196 2.9972 2.9972 3.2107 3.2107 3.3360 3.3360 3.5923 3.5923 6.9448 6.9448 8.0323 8.0323 11.8398 11.8398 k = 0.0000 0.5000 0.0837 ( 2418 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1808 1.1808 1.4474 1.4474 1.5794 1.5794 2.5203 2.5203 2.9881 2.9881 3.1929 3.1929 3.3212 3.3212 3.5912 3.5912 6.9764 6.9764 8.0172 8.0172 11.8522 11.8522 k = 0.0000 0.5000 0.0931 ( 2418 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1870 1.1870 1.4597 1.4597 1.5856 1.5856 2.5210 2.5210 2.9767 2.9767 3.1740 3.1740 3.3063 3.3063 3.5901 3.5901 7.0104 7.0104 8.0010 8.0010 11.8654 11.8654 k = 0.0000 0.5000 0.1024 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.1935 1.1935 1.4731 1.4731 1.5927 1.5927 2.5217 2.5217 2.9626 2.9626 3.1547 3.1547 3.2916 3.2916 3.5889 3.5889 7.0463 7.0463 7.9840 7.9840 11.8792 11.8792 k = 0.0000 0.5000 0.1117 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.2002 1.2002 1.4876 1.4876 1.6005 1.6005 2.5224 2.5224 2.9452 2.9452 3.1353 3.1353 3.2770 3.2770 3.5876 3.5876 7.0839 7.0839 7.9663 7.9663 11.8934 11.8934 k = 0.0000 0.5000 0.1210 ( 2418 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.2070 1.2070 1.5031 1.5031 1.6091 1.6091 2.5230 2.5230 2.9243 2.9243 3.1166 3.1166 3.2628 3.2628 3.5862 3.5862 7.1226 7.1226 7.9482 7.9482 11.9078 11.9078 k = 0.0000 0.5000 0.1303 ( 2414 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0504 -12.0504 1.2139 1.2139 1.5196 1.5196 1.6187 1.6187 2.5237 2.5237 2.9000 2.9000 3.0988 3.0988 3.2493 3.2493 3.5849 3.5849 7.1622 7.1622 7.9299 7.9299 11.9222 11.9222 k = 0.0000 0.5000 0.1396 ( 2422 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2206 1.2206 1.5367 1.5367 1.6291 1.6291 2.5243 2.5243 2.8724 2.8724 3.0819 3.0819 3.2364 3.2364 3.5835 3.5835 7.2022 7.2022 7.9116 7.9116 11.9366 11.9366 k = 0.0000 0.5000 0.1489 ( 2422 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2273 1.2273 1.5546 1.5546 1.6406 1.6406 2.5248 2.5248 2.8419 2.8419 3.0659 3.0659 3.2244 3.2244 3.5821 3.5821 7.2422 7.2422 7.8935 7.8935 11.9507 11.9507 k = 0.0000 0.5000 0.1582 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2337 1.2337 1.5728 1.5728 1.6531 1.6531 2.5251 2.5251 2.8092 2.8092 3.0506 3.0506 3.2135 3.2135 3.5808 3.5808 7.2818 7.2818 7.8757 7.8757 11.9644 11.9644 k = 0.0000 0.5000 0.1675 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2398 1.2398 1.5913 1.5913 1.6668 1.6668 2.5253 2.5253 2.7749 2.7749 3.0355 3.0355 3.2036 3.2036 3.5794 3.5794 7.3207 7.3207 7.8585 7.8585 11.9776 11.9776 k = 0.0000 0.5000 0.1768 ( 2424 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2456 1.2456 1.6094 1.6094 1.6817 1.6817 2.5252 2.5252 2.7398 2.7398 3.0206 3.0206 3.1947 3.1947 3.5781 3.5781 7.3585 7.3585 7.8419 7.8419 11.9902 11.9902 k = 0.0000 0.5000 0.1861 ( 2418 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2511 1.2511 1.6272 1.6272 1.6980 1.6980 2.5246 2.5246 2.7044 2.7044 3.0060 3.0060 3.1870 3.1870 3.5768 3.5768 7.3948 7.3948 7.8262 7.8262 12.0021 12.0021 k = 0.0000 0.5000 0.1954 ( 2418 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2561 1.2561 1.6439 1.6439 1.7157 1.7157 2.5233 2.5233 2.6696 2.6696 2.9916 2.9916 3.1802 3.1802 3.5756 3.5756 7.4292 7.4292 7.8113 7.8113 12.0132 12.0132 k = 0.0000 0.5000 0.2047 ( 2422 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2606 1.2606 1.6595 1.6595 1.7345 1.7345 2.5205 2.5205 2.6365 2.6365 2.9775 2.9775 3.1744 3.1744 3.5745 3.5745 7.4615 7.4615 7.7976 7.7976 12.0234 12.0234 k = 0.0000 0.5000 0.2140 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0505 -12.0505 1.2647 1.2647 1.6737 1.6737 1.7544 1.7544 2.5152 2.5152 2.6068 2.6068 2.9641 2.9641 3.1695 3.1695 3.5735 3.5735 7.4913 7.4913 7.7850 7.7850 12.0327 12.0327 k = 0.0000 0.5000 0.2233 ( 2420 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2683 1.2683 1.6866 1.6866 1.7747 1.7747 2.5053 2.5053 2.5830 2.5830 2.9515 2.9515 3.1655 3.1655 3.5725 3.5725 7.5184 7.5184 7.7737 7.7737 12.0410 12.0410 k = 0.0000 0.5000 0.2326 ( 2424 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2714 1.2714 1.6979 1.6979 1.7949 1.7949 2.4894 2.4894 2.5672 2.5672 2.9398 2.9398 3.1621 3.1621 3.5717 3.5717 7.5425 7.5425 7.7637 7.7637 12.0483 12.0483 k = 0.0000 0.5000 0.2419 ( 2424 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2741 1.2741 1.7077 1.7077 1.8142 1.8142 2.4691 2.4691 2.5583 2.5583 2.9295 2.9295 3.1593 3.1593 3.5709 3.5709 7.5632 7.5632 7.7551 7.7551 12.0545 12.0545 k = 0.0000 0.5000 0.2512 ( 2416 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2763 1.2763 1.7159 1.7159 1.8320 1.8320 2.4481 2.4481 2.5537 2.5537 2.9208 2.9208 3.1572 3.1572 3.5704 3.5704 7.5806 7.5806 7.7480 7.7480 12.0596 12.0596 k = 0.0000 0.5000 0.2605 ( 2416 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2780 1.2780 1.7223 1.7223 1.8472 1.8472 2.4293 2.4293 2.5512 2.5512 2.9137 2.9137 3.1556 3.1556 3.5699 3.5699 7.5942 7.5942 7.7424 7.7424 12.0636 12.0636 k = 0.0000 0.5000 0.2699 ( 2408 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2792 1.2792 1.7271 1.7271 1.8590 1.8590 2.4145 2.4145 2.5499 2.5499 2.9086 2.9086 3.1546 3.1546 3.5696 3.5696 7.6041 7.6041 7.7384 7.7384 12.0664 12.0664 k = 0.0000 0.5000 0.2792 ( 2404 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2800 1.2800 1.7299 1.7299 1.8665 1.8665 2.4052 2.4052 2.5492 2.5492 2.9056 2.9056 3.1540 3.1540 3.5694 3.5694 7.6101 7.6101 7.7360 7.7360 12.0682 12.0682 k = 0.0000 0.5000 0.2885 ( 2412 PWs) bands (ev): -79.6283 -79.6283 -48.4577 -48.4577 -44.0468 -44.0468 -43.9363 -43.9363 -12.0506 -12.0506 1.2802 1.2802 1.7308 1.7308 1.8690 1.8690 2.4019 2.4019 2.5490 2.5490 2.9044 2.9044 3.1537 3.1537 3.5693 3.5693 7.6121 7.6121 7.7351 7.7351 12.0688 12.0688 k = 0.5000 0.5000-0.0000 ( 2436 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8215 -11.8215 1.1676 1.1676 1.9846 1.9846 2.1804 2.1804 2.1990 2.1990 2.2261 2.2261 2.9662 2.9662 2.9850 2.9850 3.7896 3.7896 10.3121 10.3121 10.6706 10.6706 11.8526 11.8526 k = 0.5000 0.5000 0.0093 ( 2436 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8215 -11.8215 1.1671 1.1671 1.9812 1.9812 2.1669 2.1669 2.2026 2.2026 2.2399 2.2399 2.9668 2.9668 2.9852 2.9852 3.7897 3.7897 10.3112 10.3112 10.6697 10.6697 11.8537 11.8537 k = 0.5000 0.5000 0.0186 ( 2436 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8215 -11.8215 1.1656 1.1656 1.9717 1.9717 2.1424 2.1424 2.2127 2.2127 2.2651 2.2651 2.9688 2.9688 2.9858 2.9858 3.7897 3.7897 10.3087 10.3087 10.6672 10.6672 11.8568 11.8568 k = 0.5000 0.5000 0.0279 ( 2420 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8214 -11.8214 1.1631 1.1631 1.9578 1.9578 2.1163 2.1163 2.2279 2.2279 2.2926 2.2926 2.9721 2.9721 2.9868 2.9868 3.7898 3.7898 10.3046 10.3046 10.6629 10.6629 11.8619 11.8619 k = 0.5000 0.5000 0.0372 ( 2424 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8214 -11.8214 1.1597 1.1597 1.9404 1.9404 2.0898 2.0898 2.2466 2.2466 2.3208 2.3208 2.9764 2.9764 2.9880 2.9880 3.7899 3.7899 10.2989 10.2989 10.6571 10.6571 11.8692 11.8692 k = 0.5000 0.5000 0.0465 ( 2408 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8214 -11.8214 1.1555 1.1555 1.9213 1.9213 2.0637 2.0637 2.2676 2.2676 2.3493 2.3493 2.9820 2.9820 2.9898 2.9898 3.7903 3.7903 10.2917 10.2917 10.6497 10.6497 11.8785 11.8785 k = 0.5000 0.5000 0.0558 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8213 -11.8213 1.1504 1.1504 1.9009 1.9009 2.0379 2.0379 2.2902 2.2902 2.3778 2.3778 2.9888 2.9888 2.9919 2.9919 3.7906 3.7906 10.2830 10.2830 10.6409 10.6409 11.8899 11.8899 k = 0.5000 0.5000 0.0651 ( 2408 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8212 -11.8212 1.1444 1.1444 1.8798 1.8798 2.0125 2.0125 2.3136 2.3136 2.4061 2.4061 2.9942 2.9942 2.9964 2.9964 3.7908 3.7908 10.2729 10.2729 10.6306 10.6306 11.9033 11.9033 k = 0.5000 0.5000 0.0744 ( 2416 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8212 -11.8212 1.1377 1.1377 1.8585 1.8585 1.9876 1.9876 2.3374 2.3374 2.4342 2.4342 2.9969 2.9969 3.0049 3.0049 3.7909 3.7909 10.2616 10.2616 10.6191 10.6191 11.9189 11.9189 k = 0.5000 0.5000 0.0837 ( 2416 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8211 -11.8211 1.1305 1.1305 1.8374 1.8374 1.9635 1.9635 2.3615 2.3615 2.4620 2.4620 3.0000 3.0000 3.0143 3.0143 3.7912 3.7912 10.2492 10.2492 10.6064 10.6064 11.9366 11.9366 k = 0.5000 0.5000 0.0931 ( 2416 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8210 -11.8210 1.1228 1.1228 1.8165 1.8165 1.9402 1.9402 2.3855 2.3855 2.4894 2.4894 3.0033 3.0033 3.0244 3.0244 3.7915 3.7915 10.2358 10.2358 10.5928 10.5928 11.9564 11.9564 k = 0.5000 0.5000 0.1024 ( 2424 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8209 -11.8209 1.1145 1.1145 1.7960 1.7960 1.9176 1.9176 2.4091 2.4091 2.5162 2.5162 3.0071 3.0071 3.0350 3.0350 3.7917 3.7917 10.2215 10.2215 10.5783 10.5783 11.9784 11.9784 k = 0.5000 0.5000 0.1117 ( 2424 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8208 -11.8208 1.1061 1.1061 1.7761 1.7761 1.8958 1.8958 2.4323 2.4323 2.5424 2.5424 3.0110 3.0110 3.0461 3.0461 3.7921 3.7921 10.2066 10.2066 10.5630 10.5630 12.0025 12.0025 k = 0.5000 0.5000 0.1210 ( 2424 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8207 -11.8207 1.0974 1.0974 1.7569 1.7569 1.8750 1.8750 2.4551 2.4551 2.5680 2.5680 3.0150 3.0150 3.0575 3.0575 3.7924 3.7924 10.1912 10.1912 10.5473 10.5473 12.0288 12.0288 k = 0.5000 0.5000 0.1303 ( 2424 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8207 -11.8207 1.0885 1.0885 1.7384 1.7384 1.8550 1.8550 2.4771 2.4771 2.5928 2.5928 3.0193 3.0193 3.0691 3.0691 3.7928 3.7928 10.1753 10.1753 10.5311 10.5311 12.0572 12.0572 k = 0.5000 0.5000 0.1396 ( 2432 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8206 -11.8206 1.0796 1.0796 1.7206 1.7206 1.8360 1.8360 2.4982 2.4982 2.6167 2.6167 3.0237 3.0237 3.0808 3.0808 3.7932 3.7932 10.1593 10.1593 10.5148 10.5148 12.0878 12.0878 k = 0.5000 0.5000 0.1489 ( 2420 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8205 -11.8205 1.0708 1.0708 1.7039 1.7039 1.8180 1.8180 2.5186 2.5186 2.6398 2.6398 3.0282 3.0282 3.0925 3.0925 3.7939 3.7939 10.1432 10.1432 10.4984 10.4984 12.1206 12.1206 k = 0.5000 0.5000 0.1582 ( 2420 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8204 -11.8204 1.0621 1.0621 1.6879 1.6879 1.8011 1.8011 2.5380 2.5380 2.6617 2.6617 3.0328 3.0328 3.1039 3.1039 3.7943 3.7943 10.1272 10.1272 10.4821 10.4821 12.1555 12.1555 k = 0.5000 0.5000 0.1675 ( 2420 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0800 -44.0800 -43.9516 -43.9516 -11.8203 -11.8203 1.0537 1.0537 1.6729 1.6729 1.7851 1.7851 2.5563 2.5563 2.6826 2.6826 3.0374 3.0374 3.1152 3.1152 3.7947 3.7947 10.1115 10.1115 10.4662 10.4662 12.1925 12.1925 k = 0.5000 0.5000 0.1768 ( 2428 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8202 -11.8202 1.0455 1.0455 1.6588 1.6588 1.7702 1.7702 2.5734 2.5734 2.7023 2.7023 3.0418 3.0418 3.1259 3.1259 3.7951 3.7951 10.0963 10.0963 10.4506 10.4506 12.2316 12.2316 k = 0.5000 0.5000 0.1861 ( 2428 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8201 -11.8201 1.0377 1.0377 1.6458 1.6458 1.7564 1.7564 2.5894 2.5894 2.7207 2.7207 3.0463 3.0463 3.1363 3.1363 3.7955 3.7955 10.0816 10.0816 10.4357 10.4357 12.2727 12.2727 k = 0.5000 0.5000 0.1954 ( 2416 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8200 -11.8200 1.0304 1.0304 1.6339 1.6339 1.7439 1.7439 2.6041 2.6041 2.7378 2.7378 3.0508 3.0508 3.1462 3.1462 3.7959 3.7959 10.0677 10.0677 10.4215 10.4215 12.3156 12.3156 k = 0.5000 0.5000 0.2047 ( 2416 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8199 -11.8199 1.0236 1.0236 1.6229 1.6229 1.7324 1.7324 2.6175 2.6175 2.7534 2.7534 3.0550 3.0550 3.1553 3.1553 3.7963 3.7963 10.0547 10.0547 10.4083 10.4083 12.3602 12.3602 k = 0.5000 0.5000 0.2140 ( 2416 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8198 -11.8198 1.0174 1.0174 1.6131 1.6131 1.7220 1.7220 2.6296 2.6296 2.7676 2.7676 3.0590 3.0590 3.1637 3.1637 3.7967 3.7967 10.0426 10.0426 10.3960 10.3960 12.4062 12.4062 k = 0.5000 0.5000 0.2233 ( 2416 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8198 -11.8198 1.0117 1.0117 1.6044 1.6044 1.7129 1.7129 2.6403 2.6403 2.7803 2.7803 3.0626 3.0626 3.1713 3.1713 3.7970 3.7970 10.0317 10.0317 10.3849 10.3849 12.4531 12.4531 k = 0.5000 0.5000 0.2326 ( 2416 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8197 -11.8197 1.0067 1.0067 1.5968 1.5968 1.7049 1.7049 2.6496 2.6496 2.7914 2.7914 3.0659 3.0659 3.1780 3.1780 3.7973 3.7973 10.0220 10.0220 10.3751 10.3751 12.5005 12.5005 k = 0.5000 0.5000 0.2419 ( 2412 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8196 -11.8196 1.0025 1.0025 1.5904 1.5904 1.6982 1.6982 2.6575 2.6575 2.8008 2.8008 3.0688 3.0688 3.1838 3.1838 3.7976 3.7976 10.0137 10.0137 10.3666 10.3666 12.5473 12.5473 k = 0.5000 0.5000 0.2512 ( 2404 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8196 -11.8196 0.9990 0.9990 1.5852 1.5852 1.6927 1.6927 2.6640 2.6640 2.8087 2.8087 3.0713 3.0713 3.1886 3.1886 3.7978 3.7978 10.0067 10.0067 10.3595 10.3595 12.5921 12.5921 k = 0.5000 0.5000 0.2605 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8195 -11.8195 0.9962 0.9962 1.5811 1.5811 1.6884 1.6884 2.6691 2.6691 2.8148 2.8148 3.0733 3.0733 3.1924 3.1924 3.7980 3.7980 10.0013 10.0013 10.3539 10.3539 12.6328 12.6328 k = 0.5000 0.5000 0.2699 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8195 -11.8195 0.9942 0.9942 1.5781 1.5781 1.6853 1.6853 2.6727 2.6727 2.8192 2.8192 3.0747 3.0747 3.1951 3.1951 3.7981 3.7981 9.9973 9.9973 10.3499 10.3499 12.6663 12.6663 k = 0.5000 0.5000 0.2792 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8195 -11.8195 0.9930 0.9930 1.5764 1.5764 1.6834 1.6834 2.6748 2.6748 2.8218 2.8218 3.0755 3.0755 3.1967 3.1967 3.7982 3.7982 9.9949 9.9949 10.3475 10.3475 12.6889 12.6889 k = 0.5000 0.5000 0.2885 ( 2400 PWs) bands (ev): -79.6230 -79.6230 -48.4757 -48.4757 -44.0799 -44.0799 -43.9516 -43.9516 -11.8195 -11.8195 0.9926 0.9926 1.5758 1.5758 1.6828 1.6828 2.6756 2.6756 2.8227 2.8227 3.0758 3.0758 3.1973 3.1973 3.7982 3.7982 9.9941 9.9941 10.3466 10.3466 12.6970 12.6970 Writing output data file PdO.save init_run : 0.17s CPU 0.33s WALL ( 1 calls) electrons : 58.46s CPU 59.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 58.45s CPU 59.84s 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 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 464 calls) cegterg : 53.07s CPU 54.02s WALL ( 483 calls) Called by sum_band: Called by *egterg: h_psi : 28.53s CPU 29.16s WALL ( 6657 calls) s_psi : 0.76s CPU 0.80s WALL ( 6657 calls) g_psi : 0.08s CPU 0.08s WALL ( 5710 calls) cdiaghg : 23.32s CPU 23.77s WALL ( 6174 calls) cegterg:over : 1.84s CPU 1.77s WALL ( 5710 calls) cegterg:upda : 1.22s CPU 1.28s WALL ( 5710 calls) cegterg:last : 0.76s CPU 0.74s WALL ( 1150 calls) cdiaghg:chol : 1.14s CPU 1.19s WALL ( 6174 calls) cdiaghg:inve : 0.64s CPU 0.65s WALL ( 6174 calls) cdiaghg:para : 1.37s CPU 1.34s WALL ( 12348 calls) Called by h_psi: h_psi:vloc : 26.75s CPU 27.27s WALL ( 6657 calls) h_psi:vnl : 1.77s CPU 1.84s WALL ( 6657 calls) add_vuspsi : 0.97s CPU 0.97s WALL ( 6657 calls) General routines calbec : 0.80s CPU 0.85s WALL ( 6657 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 24.68s CPU 25.17s WALL ( 480176 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.14s WALL ( 928 calls) Parallel routines fft_scatter : 11.77s CPU 11.80s WALL ( 480199 calls) PWSCF : 1m10.00s CPU 1m24.82s WALL This run was terminated on: 21: 3:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=