Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:26:46 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: ./KCrF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 45 45 13 1321 1321 204 Max 46 46 15 1326 1326 208 Sum 1649 1649 489 47699 47699 7399 bravais-lattice index = 14 lattice parameter (alat) = 8.0691 a.u. unit-cell volume = 493.3971 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.069130 celldm(2)= 1.000000 celldm(3)= 0.939110 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 0.939110 ) 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 1.064838 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Cr 14.00 51.99610 Cr( 1.00) F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 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= 383 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0026110 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0026110 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0026110 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0026110 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0026110 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0026110 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0026110 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0026110 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0026110 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0026110 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0026110 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0026110 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0026110 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0026110 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0026110 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0026110 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0026110 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0026110 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0026110 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0026110 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0026110 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0026110 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0026110 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0026110 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0026110 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0026110 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0026110 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0026110 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0026110 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0026110 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0026110 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0026110 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0026110 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0026110 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0026110 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0026110 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026110 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026110 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0026110 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0026110 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0026110 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0026110 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0026110 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0026110 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0026110 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0026110 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0026110 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0026110 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0026110 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0026110 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0026110 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0026110 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0026110 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0026110 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0026110 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0026110 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0026110 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0026110 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0026110 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0026110 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0026110 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0026110 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0026110 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0026110 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0026110 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0026110 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0026110 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0026110 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0026110 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0026110 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0026110 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0026110 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0026110 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0026110 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026110 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026110 k( 78) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0026110 k( 79) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0026110 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0026110 k( 81) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0026110 k( 82) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0026110 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0026110 k( 84) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0026110 k( 85) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0026110 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0026110 k( 87) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0026110 k( 88) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0026110 k( 89) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0026110 k( 90) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0026110 k( 91) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0026110 k( 92) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0026110 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0026110 k( 94) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0026110 k( 95) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0026110 k( 96) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0026110 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0026110 k( 98) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0026110 k( 99) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0026110 k( 100) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0026110 k( 101) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0026110 k( 102) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0026110 k( 103) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0026110 k( 104) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0026110 k( 105) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0026110 k( 106) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0026110 k( 107) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0026110 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0026110 k( 109) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0026110 k( 110) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0026110 k( 111) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0026110 k( 112) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0026110 k( 113) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0026110 k( 114) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0026110 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0026110 k( 116) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0026110 k( 117) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0026110 k( 118) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0026110 k( 119) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0026110 k( 120) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0026110 k( 121) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0026110 k( 122) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0026110 k( 123) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0026110 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0026110 k( 125) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0026110 k( 126) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0026110 k( 127) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0026110 k( 128) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0026110 k( 129) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0026110 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 132) = ( 0.0000000 0.0000000 0.0133105), wk = 0.0026110 k( 133) = ( 0.0000000 0.0000000 0.0266209), wk = 0.0026110 k( 134) = ( 0.0000000 0.0000000 0.0399314), wk = 0.0026110 k( 135) = ( 0.0000000 0.0000000 0.0532419), wk = 0.0026110 k( 136) = ( 0.0000000 0.0000000 0.0665524), wk = 0.0026110 k( 137) = ( 0.0000000 0.0000000 0.0798628), wk = 0.0026110 k( 138) = ( 0.0000000 0.0000000 0.0931733), wk = 0.0026110 k( 139) = ( 0.0000000 0.0000000 0.1064838), wk = 0.0026110 k( 140) = ( 0.0000000 0.0000000 0.1197943), wk = 0.0026110 k( 141) = ( 0.0000000 0.0000000 0.1331047), wk = 0.0026110 k( 142) = ( 0.0000000 0.0000000 0.1464152), wk = 0.0026110 k( 143) = ( 0.0000000 0.0000000 0.1597257), wk = 0.0026110 k( 144) = ( 0.0000000 0.0000000 0.1730362), wk = 0.0026110 k( 145) = ( 0.0000000 0.0000000 0.1863466), wk = 0.0026110 k( 146) = ( 0.0000000 0.0000000 0.1996571), wk = 0.0026110 k( 147) = ( 0.0000000 0.0000000 0.2129676), wk = 0.0026110 k( 148) = ( 0.0000000 0.0000000 0.2262781), wk = 0.0026110 k( 149) = ( 0.0000000 0.0000000 0.2395885), wk = 0.0026110 k( 150) = ( 0.0000000 0.0000000 0.2528990), wk = 0.0026110 k( 151) = ( 0.0000000 0.0000000 0.2662095), wk = 0.0026110 k( 152) = ( 0.0000000 0.0000000 0.2795200), wk = 0.0026110 k( 153) = ( 0.0000000 0.0000000 0.2928304), wk = 0.0026110 k( 154) = ( 0.0000000 0.0000000 0.3061409), wk = 0.0026110 k( 155) = ( 0.0000000 0.0000000 0.3194514), wk = 0.0026110 k( 156) = ( 0.0000000 0.0000000 0.3327618), wk = 0.0026110 k( 157) = ( 0.0000000 0.0000000 0.3460723), wk = 0.0026110 k( 158) = ( 0.0000000 0.0000000 0.3593828), wk = 0.0026110 k( 159) = ( 0.0000000 0.0000000 0.3726933), wk = 0.0026110 k( 160) = ( 0.0000000 0.0000000 0.3860037), wk = 0.0026110 k( 161) = ( 0.0000000 0.0000000 0.3993142), wk = 0.0026110 k( 162) = ( 0.0000000 0.0000000 0.4126247), wk = 0.0026110 k( 163) = ( 0.0000000 0.0000000 0.4259352), wk = 0.0026110 k( 164) = ( 0.0000000 0.0000000 0.4392456), wk = 0.0026110 k( 165) = ( 0.0000000 0.0000000 0.4525561), wk = 0.0026110 k( 166) = ( 0.0000000 0.0000000 0.4658666), wk = 0.0026110 k( 167) = ( 0.0000000 0.0000000 0.4791771), wk = 0.0026110 k( 168) = ( 0.0000000 0.0000000 0.4924875), wk = 0.0026110 k( 169) = ( 0.0000000 0.0000000 0.5057980), wk = 0.0026110 k( 170) = ( 0.0000000 0.0000000 0.5191085), wk = 0.0026110 k( 171) = ( 0.0000000 0.0000000 0.5324190), wk = 0.0026110 k( 172) = ( 0.0000000 0.0000000 0.5324190), wk = 0.0026110 k( 173) = ( 0.0000000 0.0135135 0.5324190), wk = 0.0026110 k( 174) = ( 0.0000000 0.0270270 0.5324190), wk = 0.0026110 k( 175) = ( 0.0000000 0.0405405 0.5324190), wk = 0.0026110 k( 176) = ( 0.0000000 0.0540540 0.5324190), wk = 0.0026110 k( 177) = ( 0.0000000 0.0675676 0.5324190), wk = 0.0026110 k( 178) = ( 0.0000000 0.0810811 0.5324190), wk = 0.0026110 k( 179) = ( 0.0000000 0.0945946 0.5324190), wk = 0.0026110 k( 180) = ( 0.0000000 0.1081081 0.5324190), wk = 0.0026110 k( 181) = ( 0.0000000 0.1216216 0.5324190), wk = 0.0026110 k( 182) = ( 0.0000000 0.1351351 0.5324190), wk = 0.0026110 k( 183) = ( 0.0000000 0.1486486 0.5324190), wk = 0.0026110 k( 184) = ( 0.0000000 0.1621622 0.5324190), wk = 0.0026110 k( 185) = ( 0.0000000 0.1756757 0.5324190), wk = 0.0026110 k( 186) = ( 0.0000000 0.1891892 0.5324190), wk = 0.0026110 k( 187) = ( 0.0000000 0.2027027 0.5324190), wk = 0.0026110 k( 188) = ( 0.0000000 0.2162162 0.5324190), wk = 0.0026110 k( 189) = ( 0.0000000 0.2297297 0.5324190), wk = 0.0026110 k( 190) = ( 0.0000000 0.2432432 0.5324190), wk = 0.0026110 k( 191) = ( 0.0000000 0.2567568 0.5324190), wk = 0.0026110 k( 192) = ( 0.0000000 0.2702703 0.5324190), wk = 0.0026110 k( 193) = ( 0.0000000 0.2837838 0.5324190), wk = 0.0026110 k( 194) = ( 0.0000000 0.2972973 0.5324190), wk = 0.0026110 k( 195) = ( 0.0000000 0.3108108 0.5324190), wk = 0.0026110 k( 196) = ( 0.0000000 0.3243243 0.5324190), wk = 0.0026110 k( 197) = ( 0.0000000 0.3378378 0.5324190), wk = 0.0026110 k( 198) = ( 0.0000000 0.3513514 0.5324190), wk = 0.0026110 k( 199) = ( 0.0000000 0.3648649 0.5324190), wk = 0.0026110 k( 200) = ( 0.0000000 0.3783784 0.5324190), wk = 0.0026110 k( 201) = ( 0.0000000 0.3918919 0.5324190), wk = 0.0026110 k( 202) = ( 0.0000000 0.4054054 0.5324190), wk = 0.0026110 k( 203) = ( 0.0000000 0.4189189 0.5324190), wk = 0.0026110 k( 204) = ( 0.0000000 0.4324324 0.5324190), wk = 0.0026110 k( 205) = ( 0.0000000 0.4459459 0.5324190), wk = 0.0026110 k( 206) = ( 0.0000000 0.4594595 0.5324190), wk = 0.0026110 k( 207) = ( 0.0000000 0.4729730 0.5324190), wk = 0.0026110 k( 208) = ( 0.0000000 0.4864865 0.5324190), wk = 0.0026110 k( 209) = ( 0.0000000 0.5000000 0.5324190), wk = 0.0026110 k( 210) = ( 0.0000000 0.5000000 0.5324190), wk = 0.0026110 k( 211) = ( 0.0135135 0.5000000 0.5324190), wk = 0.0026110 k( 212) = ( 0.0270270 0.5000000 0.5324190), wk = 0.0026110 k( 213) = ( 0.0405405 0.5000000 0.5324190), wk = 0.0026110 k( 214) = ( 0.0540540 0.5000000 0.5324190), wk = 0.0026110 k( 215) = ( 0.0675676 0.5000000 0.5324190), wk = 0.0026110 k( 216) = ( 0.0810811 0.5000000 0.5324190), wk = 0.0026110 k( 217) = ( 0.0945946 0.5000000 0.5324190), wk = 0.0026110 k( 218) = ( 0.1081081 0.5000000 0.5324190), wk = 0.0026110 k( 219) = ( 0.1216216 0.5000000 0.5324190), wk = 0.0026110 k( 220) = ( 0.1351351 0.5000000 0.5324190), wk = 0.0026110 k( 221) = ( 0.1486486 0.5000000 0.5324190), wk = 0.0026110 k( 222) = ( 0.1621622 0.5000000 0.5324190), wk = 0.0026110 k( 223) = ( 0.1756757 0.5000000 0.5324190), wk = 0.0026110 k( 224) = ( 0.1891892 0.5000000 0.5324190), wk = 0.0026110 k( 225) = ( 0.2027027 0.5000000 0.5324190), wk = 0.0026110 k( 226) = ( 0.2162162 0.5000000 0.5324190), wk = 0.0026110 k( 227) = ( 0.2297297 0.5000000 0.5324190), wk = 0.0026110 k( 228) = ( 0.2432432 0.5000000 0.5324190), wk = 0.0026110 k( 229) = ( 0.2567568 0.5000000 0.5324190), wk = 0.0026110 k( 230) = ( 0.2702703 0.5000000 0.5324190), wk = 0.0026110 k( 231) = ( 0.2837838 0.5000000 0.5324190), wk = 0.0026110 k( 232) = ( 0.2972973 0.5000000 0.5324190), wk = 0.0026110 k( 233) = ( 0.3108108 0.5000000 0.5324190), wk = 0.0026110 k( 234) = ( 0.3243243 0.5000000 0.5324190), wk = 0.0026110 k( 235) = ( 0.3378378 0.5000000 0.5324190), wk = 0.0026110 k( 236) = ( 0.3513514 0.5000000 0.5324190), wk = 0.0026110 k( 237) = ( 0.3648649 0.5000000 0.5324190), wk = 0.0026110 k( 238) = ( 0.3783784 0.5000000 0.5324190), wk = 0.0026110 k( 239) = ( 0.3918919 0.5000000 0.5324190), wk = 0.0026110 k( 240) = ( 0.4054054 0.5000000 0.5324190), wk = 0.0026110 k( 241) = ( 0.4189189 0.5000000 0.5324190), wk = 0.0026110 k( 242) = ( 0.4324324 0.5000000 0.5324190), wk = 0.0026110 k( 243) = ( 0.4459459 0.5000000 0.5324190), wk = 0.0026110 k( 244) = ( 0.4594595 0.5000000 0.5324190), wk = 0.0026110 k( 245) = ( 0.4729730 0.5000000 0.5324190), wk = 0.0026110 k( 246) = ( 0.4864865 0.5000000 0.5324190), wk = 0.0026110 k( 247) = ( 0.5000000 0.5000000 0.5324190), wk = 0.0026110 k( 248) = ( 0.5000000 0.5000000 0.5324190), wk = 0.0026110 k( 249) = ( 0.4905660 0.4905660 0.5324190), wk = 0.0026110 k( 250) = ( 0.4811321 0.4811321 0.5324190), wk = 0.0026110 k( 251) = ( 0.4716981 0.4716981 0.5324190), wk = 0.0026110 k( 252) = ( 0.4622641 0.4622641 0.5324190), wk = 0.0026110 k( 253) = ( 0.4528302 0.4528302 0.5324190), wk = 0.0026110 k( 254) = ( 0.4433962 0.4433962 0.5324190), wk = 0.0026110 k( 255) = ( 0.4339623 0.4339623 0.5324190), wk = 0.0026110 k( 256) = ( 0.4245283 0.4245283 0.5324190), wk = 0.0026110 k( 257) = ( 0.4150943 0.4150943 0.5324190), wk = 0.0026110 k( 258) = ( 0.4056604 0.4056604 0.5324190), wk = 0.0026110 k( 259) = ( 0.3962264 0.3962264 0.5324190), wk = 0.0026110 k( 260) = ( 0.3867925 0.3867924 0.5324190), wk = 0.0026110 k( 261) = ( 0.3773585 0.3773585 0.5324190), wk = 0.0026110 k( 262) = ( 0.3679245 0.3679245 0.5324190), wk = 0.0026110 k( 263) = ( 0.3584906 0.3584906 0.5324190), wk = 0.0026110 k( 264) = ( 0.3490566 0.3490566 0.5324190), wk = 0.0026110 k( 265) = ( 0.3396226 0.3396226 0.5324190), wk = 0.0026110 k( 266) = ( 0.3301887 0.3301887 0.5324190), wk = 0.0026110 k( 267) = ( 0.3207547 0.3207547 0.5324190), wk = 0.0026110 k( 268) = ( 0.3113207 0.3113207 0.5324190), wk = 0.0026110 k( 269) = ( 0.3018868 0.3018868 0.5324190), wk = 0.0026110 k( 270) = ( 0.2924528 0.2924528 0.5324190), wk = 0.0026110 k( 271) = ( 0.2830189 0.2830189 0.5324190), wk = 0.0026110 k( 272) = ( 0.2735849 0.2735849 0.5324190), wk = 0.0026110 k( 273) = ( 0.2641509 0.2641509 0.5324190), wk = 0.0026110 k( 274) = ( 0.2547170 0.2547170 0.5324190), wk = 0.0026110 k( 275) = ( 0.2452830 0.2452830 0.5324190), wk = 0.0026110 k( 276) = ( 0.2358491 0.2358491 0.5324190), wk = 0.0026110 k( 277) = ( 0.2264151 0.2264151 0.5324190), wk = 0.0026110 k( 278) = ( 0.2169811 0.2169811 0.5324190), wk = 0.0026110 k( 279) = ( 0.2075472 0.2075472 0.5324190), wk = 0.0026110 k( 280) = ( 0.1981132 0.1981132 0.5324190), wk = 0.0026110 k( 281) = ( 0.1886792 0.1886792 0.5324190), wk = 0.0026110 k( 282) = ( 0.1792453 0.1792453 0.5324190), wk = 0.0026110 k( 283) = ( 0.1698113 0.1698113 0.5324190), wk = 0.0026110 k( 284) = ( 0.1603774 0.1603774 0.5324190), wk = 0.0026110 k( 285) = ( 0.1509434 0.1509434 0.5324190), wk = 0.0026110 k( 286) = ( 0.1415094 0.1415094 0.5324190), wk = 0.0026110 k( 287) = ( 0.1320755 0.1320755 0.5324190), wk = 0.0026110 k( 288) = ( 0.1226415 0.1226415 0.5324190), wk = 0.0026110 k( 289) = ( 0.1132076 0.1132075 0.5324190), wk = 0.0026110 k( 290) = ( 0.1037736 0.1037736 0.5324190), wk = 0.0026110 k( 291) = ( 0.0943396 0.0943396 0.5324190), wk = 0.0026110 k( 292) = ( 0.0849057 0.0849057 0.5324190), wk = 0.0026110 k( 293) = ( 0.0754717 0.0754717 0.5324190), wk = 0.0026110 k( 294) = ( 0.0660377 0.0660377 0.5324190), wk = 0.0026110 k( 295) = ( 0.0566038 0.0566038 0.5324190), wk = 0.0026110 k( 296) = ( 0.0471698 0.0471698 0.5324190), wk = 0.0026110 k( 297) = ( 0.0377359 0.0377358 0.5324190), wk = 0.0026110 k( 298) = ( 0.0283019 0.0283019 0.5324190), wk = 0.0026110 k( 299) = ( 0.0188679 0.0188679 0.5324190), wk = 0.0026110 k( 300) = ( 0.0094340 0.0094340 0.5324190), wk = 0.0026110 k( 301) = ( 0.0000000 0.0000000 0.5324190), wk = 0.0026110 k( 302) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026110 k( 303) = ( 0.0000000 0.5000000 0.0133105), wk = 0.0026110 k( 304) = ( 0.0000000 0.5000000 0.0266209), wk = 0.0026110 k( 305) = ( 0.0000000 0.5000000 0.0399314), wk = 0.0026110 k( 306) = ( 0.0000000 0.5000000 0.0532419), wk = 0.0026110 k( 307) = ( 0.0000000 0.5000000 0.0665524), wk = 0.0026110 k( 308) = ( 0.0000000 0.5000000 0.0798628), wk = 0.0026110 k( 309) = ( 0.0000000 0.5000000 0.0931733), wk = 0.0026110 k( 310) = ( 0.0000000 0.5000000 0.1064838), wk = 0.0026110 k( 311) = ( 0.0000000 0.5000000 0.1197943), wk = 0.0026110 k( 312) = ( 0.0000000 0.5000000 0.1331047), wk = 0.0026110 k( 313) = ( 0.0000000 0.5000000 0.1464152), wk = 0.0026110 k( 314) = ( 0.0000000 0.5000000 0.1597257), wk = 0.0026110 k( 315) = ( 0.0000000 0.5000000 0.1730362), wk = 0.0026110 k( 316) = ( 0.0000000 0.5000000 0.1863466), wk = 0.0026110 k( 317) = ( 0.0000000 0.5000000 0.1996571), wk = 0.0026110 k( 318) = ( 0.0000000 0.5000000 0.2129676), wk = 0.0026110 k( 319) = ( 0.0000000 0.5000000 0.2262781), wk = 0.0026110 k( 320) = ( 0.0000000 0.5000000 0.2395885), wk = 0.0026110 k( 321) = ( 0.0000000 0.5000000 0.2528990), wk = 0.0026110 k( 322) = ( 0.0000000 0.5000000 0.2662095), wk = 0.0026110 k( 323) = ( 0.0000000 0.5000000 0.2795200), wk = 0.0026110 k( 324) = ( 0.0000000 0.5000000 0.2928304), wk = 0.0026110 k( 325) = ( 0.0000000 0.5000000 0.3061409), wk = 0.0026110 k( 326) = ( 0.0000000 0.5000000 0.3194514), wk = 0.0026110 k( 327) = ( 0.0000000 0.5000000 0.3327618), wk = 0.0026110 k( 328) = ( 0.0000000 0.5000000 0.3460723), wk = 0.0026110 k( 329) = ( 0.0000000 0.5000000 0.3593828), wk = 0.0026110 k( 330) = ( 0.0000000 0.5000000 0.3726933), wk = 0.0026110 k( 331) = ( 0.0000000 0.5000000 0.3860037), wk = 0.0026110 k( 332) = ( 0.0000000 0.5000000 0.3993142), wk = 0.0026110 k( 333) = ( 0.0000000 0.5000000 0.4126247), wk = 0.0026110 k( 334) = ( 0.0000000 0.5000000 0.4259352), wk = 0.0026110 k( 335) = ( 0.0000000 0.5000000 0.4392456), wk = 0.0026110 k( 336) = ( 0.0000000 0.5000000 0.4525561), wk = 0.0026110 k( 337) = ( 0.0000000 0.5000000 0.4658666), wk = 0.0026110 k( 338) = ( 0.0000000 0.5000000 0.4791771), wk = 0.0026110 k( 339) = ( 0.0000000 0.5000000 0.4924875), wk = 0.0026110 k( 340) = ( 0.0000000 0.5000000 0.5057980), wk = 0.0026110 k( 341) = ( 0.0000000 0.5000000 0.5191085), wk = 0.0026110 k( 342) = ( 0.0000000 0.5000000 0.5324190), wk = 0.0026110 k( 343) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026110 k( 344) = ( 0.5000000 0.5000000 0.0133105), wk = 0.0026110 k( 345) = ( 0.5000000 0.5000000 0.0266209), wk = 0.0026110 k( 346) = ( 0.5000000 0.5000000 0.0399314), wk = 0.0026110 k( 347) = ( 0.5000000 0.5000000 0.0532419), wk = 0.0026110 k( 348) = ( 0.5000000 0.5000000 0.0665524), wk = 0.0026110 k( 349) = ( 0.5000000 0.5000000 0.0798628), wk = 0.0026110 k( 350) = ( 0.5000000 0.5000000 0.0931733), wk = 0.0026110 k( 351) = ( 0.5000000 0.5000000 0.1064838), wk = 0.0026110 k( 352) = ( 0.5000000 0.5000000 0.1197943), wk = 0.0026110 k( 353) = ( 0.5000000 0.5000000 0.1331047), wk = 0.0026110 k( 354) = ( 0.5000000 0.5000000 0.1464152), wk = 0.0026110 k( 355) = ( 0.5000000 0.5000000 0.1597257), wk = 0.0026110 k( 356) = ( 0.5000000 0.5000000 0.1730362), wk = 0.0026110 k( 357) = ( 0.5000000 0.5000000 0.1863466), wk = 0.0026110 k( 358) = ( 0.5000000 0.5000000 0.1996571), wk = 0.0026110 k( 359) = ( 0.5000000 0.5000000 0.2129676), wk = 0.0026110 k( 360) = ( 0.5000000 0.5000000 0.2262781), wk = 0.0026110 k( 361) = ( 0.5000000 0.5000000 0.2395885), wk = 0.0026110 k( 362) = ( 0.5000000 0.5000000 0.2528990), wk = 0.0026110 k( 363) = ( 0.5000000 0.5000000 0.2662095), wk = 0.0026110 k( 364) = ( 0.5000000 0.5000000 0.2795200), wk = 0.0026110 k( 365) = ( 0.5000000 0.5000000 0.2928304), wk = 0.0026110 k( 366) = ( 0.5000000 0.5000000 0.3061409), wk = 0.0026110 k( 367) = ( 0.5000000 0.5000000 0.3194514), wk = 0.0026110 k( 368) = ( 0.5000000 0.5000000 0.3327618), wk = 0.0026110 k( 369) = ( 0.5000000 0.5000000 0.3460723), wk = 0.0026110 k( 370) = ( 0.5000000 0.5000000 0.3593828), wk = 0.0026110 k( 371) = ( 0.5000000 0.5000000 0.3726933), wk = 0.0026110 k( 372) = ( 0.5000000 0.5000000 0.3860037), wk = 0.0026110 k( 373) = ( 0.5000000 0.5000000 0.3993142), wk = 0.0026110 k( 374) = ( 0.5000000 0.5000000 0.4126247), wk = 0.0026110 k( 375) = ( 0.5000000 0.5000000 0.4259352), wk = 0.0026110 k( 376) = ( 0.5000000 0.5000000 0.4392456), wk = 0.0026110 k( 377) = ( 0.5000000 0.5000000 0.4525561), wk = 0.0026110 k( 378) = ( 0.5000000 0.5000000 0.4658666), wk = 0.0026110 k( 379) = ( 0.5000000 0.5000000 0.4791771), wk = 0.0026110 k( 380) = ( 0.5000000 0.5000000 0.4924875), wk = 0.0026110 k( 381) = ( 0.5000000 0.5000000 0.5057980), wk = 0.0026110 k( 382) = ( 0.5000000 0.5000000 0.5191085), wk = 0.0026110 k( 383) = ( 0.5000000 0.5000000 0.5324190), wk = 0.0026110 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0026110 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0026110 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0026110 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0026110 k( 6) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0026110 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0026110 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0026110 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0026110 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0026110 k( 11) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0026110 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0026110 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0026110 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0026110 k( 15) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0026110 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0026110 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0026110 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0026110 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0026110 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0026110 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0026110 k( 22) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0026110 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0026110 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0026110 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0026110 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0026110 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0026110 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0026110 k( 29) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0026110 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0026110 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0026110 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0026110 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0026110 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0026110 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0026110 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0026110 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0026110 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026110 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026110 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0026110 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0026110 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0026110 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0026110 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0026110 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0026110 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0026110 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0026110 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0026110 k( 49) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0026110 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0026110 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0026110 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0026110 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0026110 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0026110 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0026110 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0026110 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0026110 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0026110 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0026110 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0026110 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0026110 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0026110 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0026110 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0026110 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0026110 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0026110 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0026110 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0026110 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0026110 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0026110 k( 71) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0026110 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0026110 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0026110 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0026110 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0026110 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026110 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026110 k( 78) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0026110 k( 79) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0026110 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0026110 k( 81) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0026110 k( 82) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0026110 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0026110 k( 84) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0026110 k( 85) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0026110 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0026110 k( 87) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0026110 k( 88) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0026110 k( 89) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0026110 k( 90) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0026110 k( 91) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0026110 k( 92) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0026110 k( 93) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0026110 k( 94) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0026110 k( 95) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0026110 k( 96) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0026110 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0026110 k( 98) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0026110 k( 99) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0026110 k( 100) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0026110 k( 101) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0026110 k( 102) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0026110 k( 103) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0026110 k( 104) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0026110 k( 105) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0026110 k( 106) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0026110 k( 107) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0026110 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0026110 k( 109) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0026110 k( 110) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0026110 k( 111) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0026110 k( 112) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0026110 k( 113) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0026110 k( 114) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0026110 k( 115) = ( 0.1415094 0.1415094 0.0000000), wk = 0.0026110 k( 116) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0026110 k( 117) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0026110 k( 118) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0026110 k( 119) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0026110 k( 120) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0026110 k( 121) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0026110 k( 122) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0026110 k( 123) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0026110 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0026110 k( 125) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0026110 k( 126) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0026110 k( 127) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0026110 k( 128) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0026110 k( 129) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0026110 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 132) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0026110 k( 133) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0026110 k( 134) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0026110 k( 135) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0026110 k( 136) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0026110 k( 137) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0026110 k( 138) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0026110 k( 139) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026110 k( 140) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0026110 k( 141) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026110 k( 142) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0026110 k( 143) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0026110 k( 144) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0026110 k( 145) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0026110 k( 146) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0026110 k( 147) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026110 k( 148) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0026110 k( 149) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0026110 k( 150) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0026110 k( 151) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026110 k( 152) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0026110 k( 153) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0026110 k( 154) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0026110 k( 155) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026110 k( 156) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0026110 k( 157) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0026110 k( 158) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0026110 k( 159) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0026110 k( 160) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0026110 k( 161) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026110 k( 162) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0026110 k( 163) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026110 k( 164) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0026110 k( 165) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0026110 k( 166) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0026110 k( 167) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0026110 k( 168) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0026110 k( 169) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0026110 k( 170) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0026110 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026110 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026110 k( 173) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0026110 k( 174) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0026110 k( 175) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0026110 k( 176) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0026110 k( 177) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0026110 k( 178) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0026110 k( 179) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0026110 k( 180) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0026110 k( 181) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0026110 k( 182) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0026110 k( 183) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0026110 k( 184) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0026110 k( 185) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0026110 k( 186) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0026110 k( 187) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0026110 k( 188) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0026110 k( 189) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0026110 k( 190) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0026110 k( 191) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0026110 k( 192) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0026110 k( 193) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0026110 k( 194) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0026110 k( 195) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0026110 k( 196) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0026110 k( 197) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0026110 k( 198) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0026110 k( 199) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0026110 k( 200) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0026110 k( 201) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0026110 k( 202) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0026110 k( 203) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0026110 k( 204) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0026110 k( 205) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0026110 k( 206) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0026110 k( 207) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0026110 k( 208) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0026110 k( 209) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026110 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026110 k( 211) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0026110 k( 212) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0026110 k( 213) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0026110 k( 214) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0026110 k( 215) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0026110 k( 216) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0026110 k( 217) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0026110 k( 218) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0026110 k( 219) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0026110 k( 220) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0026110 k( 221) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0026110 k( 222) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0026110 k( 223) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0026110 k( 224) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0026110 k( 225) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0026110 k( 226) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0026110 k( 227) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0026110 k( 228) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0026110 k( 229) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0026110 k( 230) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0026110 k( 231) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0026110 k( 232) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0026110 k( 233) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0026110 k( 234) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0026110 k( 235) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0026110 k( 236) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0026110 k( 237) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0026110 k( 238) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0026110 k( 239) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0026110 k( 240) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0026110 k( 241) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0026110 k( 242) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0026110 k( 243) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0026110 k( 244) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0026110 k( 245) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0026110 k( 246) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0026110 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026110 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026110 k( 249) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0026110 k( 250) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0026110 k( 251) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0026110 k( 252) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0026110 k( 253) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0026110 k( 254) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0026110 k( 255) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0026110 k( 256) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0026110 k( 257) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0026110 k( 258) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0026110 k( 259) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0026110 k( 260) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0026110 k( 261) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0026110 k( 262) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0026110 k( 263) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0026110 k( 264) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0026110 k( 265) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0026110 k( 266) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0026110 k( 267) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0026110 k( 268) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0026110 k( 269) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0026110 k( 270) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0026110 k( 271) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0026110 k( 272) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0026110 k( 273) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0026110 k( 274) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0026110 k( 275) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0026110 k( 276) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0026110 k( 277) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0026110 k( 278) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0026110 k( 279) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0026110 k( 280) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0026110 k( 281) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0026110 k( 282) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0026110 k( 283) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0026110 k( 284) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0026110 k( 285) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0026110 k( 286) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0026110 k( 287) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0026110 k( 288) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0026110 k( 289) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0026110 k( 290) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0026110 k( 291) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0026110 k( 292) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0026110 k( 293) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0026110 k( 294) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0026110 k( 295) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0026110 k( 296) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0026110 k( 297) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0026110 k( 298) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0026110 k( 299) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0026110 k( 300) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0026110 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026110 k( 302) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026110 k( 303) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0026110 k( 304) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0026110 k( 305) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0026110 k( 306) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0026110 k( 307) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0026110 k( 308) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0026110 k( 309) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0026110 k( 310) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0026110 k( 311) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0026110 k( 312) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026110 k( 313) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0026110 k( 314) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0026110 k( 315) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0026110 k( 316) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0026110 k( 317) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0026110 k( 318) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0026110 k( 319) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0026110 k( 320) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0026110 k( 321) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0026110 k( 322) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026110 k( 323) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0026110 k( 324) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0026110 k( 325) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0026110 k( 326) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0026110 k( 327) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0026110 k( 328) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0026110 k( 329) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0026110 k( 330) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0026110 k( 331) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0026110 k( 332) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026110 k( 333) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0026110 k( 334) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0026110 k( 335) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0026110 k( 336) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0026110 k( 337) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0026110 k( 338) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0026110 k( 339) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0026110 k( 340) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0026110 k( 341) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0026110 k( 342) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026110 k( 343) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026110 k( 344) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0026110 k( 345) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0026110 k( 346) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0026110 k( 347) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026110 k( 348) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0026110 k( 349) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0026110 k( 350) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0026110 k( 351) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026110 k( 352) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0026110 k( 353) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0026110 k( 354) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0026110 k( 355) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026110 k( 356) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0026110 k( 357) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0026110 k( 358) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0026110 k( 359) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026110 k( 360) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0026110 k( 361) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0026110 k( 362) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0026110 k( 363) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026110 k( 364) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0026110 k( 365) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0026110 k( 366) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0026110 k( 367) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026110 k( 368) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0026110 k( 369) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0026110 k( 370) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0026110 k( 371) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026110 k( 372) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0026110 k( 373) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0026110 k( 374) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0026110 k( 375) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026110 k( 376) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0026110 k( 377) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0026110 k( 378) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0026110 k( 379) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026110 k( 380) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0026110 k( 381) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0026110 k( 382) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0026110 k( 383) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026110 Dense grid: 47699 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 348, 52) NL pseudopotentials 0.29 Mb ( 174, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1323) G-vector shells 0.01 Mb ( 661) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 348, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.17 Mb ( 110, 2, 52) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./KCrF3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.0 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.8 secs Computing kpt #: 13 total cpu time spent up to now is 7.2 secs Computing kpt #: 14 total cpu time spent up to now is 7.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.0 secs Computing kpt #: 16 total cpu time spent up to now is 8.4 secs Computing kpt #: 17 total cpu time spent up to now is 8.8 secs Computing kpt #: 18 total cpu time spent up to now is 9.2 secs Computing kpt #: 19 total cpu time spent up to now is 9.6 secs Computing kpt #: 20 total cpu time spent up to now is 10.0 secs Computing kpt #: 21 total cpu time spent up to now is 10.4 secs Computing kpt #: 22 total cpu time spent up to now is 10.8 secs Computing kpt #: 23 total cpu time spent up to now is 11.2 secs Computing kpt #: 24 total cpu time spent up to now is 11.6 secs Computing kpt #: 25 total cpu time spent up to now is 12.0 secs Computing kpt #: 26 total cpu time spent up to now is 12.4 secs Computing kpt #: 27 total cpu time spent up to now is 12.9 secs Computing kpt #: 28 total cpu time spent up to now is 13.3 secs Computing kpt #: 29 total cpu time spent up to now is 13.7 secs Computing kpt #: 30 total cpu time spent up to now is 14.1 secs Computing kpt #: 31 total cpu time spent up to now is 14.5 secs Computing kpt #: 32 total cpu time spent up to now is 15.0 secs Computing kpt #: 33 total cpu time spent up to now is 15.4 secs Computing kpt #: 34 total cpu time spent up to now is 15.8 secs Computing kpt #: 35 total cpu time spent up to now is 16.3 secs Computing kpt #: 36 total cpu time spent up to now is 16.8 secs Computing kpt #: 37 total cpu time spent up to now is 17.3 secs Computing kpt #: 38 total cpu time spent up to now is 17.8 secs Computing kpt #: 39 total cpu time spent up to now is 18.4 secs Computing kpt #: 40 total cpu time spent up to now is 18.9 secs Computing kpt #: 41 total cpu time spent up to now is 19.4 secs Computing kpt #: 42 total cpu time spent up to now is 20.0 secs Computing kpt #: 43 total cpu time spent up to now is 20.5 secs Computing kpt #: 44 total cpu time spent up to now is 21.1 secs Computing kpt #: 45 total cpu time spent up to now is 21.6 secs Computing kpt #: 46 total cpu time spent up to now is 22.2 secs Computing kpt #: 47 total cpu time spent up to now is 22.7 secs Computing kpt #: 48 total cpu time spent up to now is 23.3 secs Computing kpt #: 49 total cpu time spent up to now is 23.8 secs Computing kpt #: 50 total cpu time spent up to now is 24.4 secs Computing kpt #: 51 total cpu time spent up to now is 24.9 secs Computing kpt #: 52 total cpu time spent up to now is 25.5 secs Computing kpt #: 53 total cpu time spent up to now is 26.0 secs Computing kpt #: 54 total cpu time spent up to now is 26.6 secs Computing kpt #: 55 total cpu time spent up to now is 27.2 secs Computing kpt #: 56 total cpu time spent up to now is 27.7 secs Computing kpt #: 57 total cpu time spent up to now is 28.4 secs Computing kpt #: 58 total cpu time spent up to now is 28.9 secs Computing kpt #: 59 total cpu time spent up to now is 29.6 secs Computing kpt #: 60 total cpu time spent up to now is 30.1 secs Computing kpt #: 61 total cpu time spent up to now is 30.7 secs Computing kpt #: 62 total cpu time spent up to now is 31.2 secs Computing kpt #: 63 total cpu time spent up to now is 31.7 secs Computing kpt #: 64 total cpu time spent up to now is 32.2 secs Computing kpt #: 65 total cpu time spent up to now is 32.7 secs Computing kpt #: 66 total cpu time spent up to now is 33.2 secs Computing kpt #: 67 total cpu time spent up to now is 33.7 secs Computing kpt #: 68 total cpu time spent up to now is 34.1 secs Computing kpt #: 69 total cpu time spent up to now is 34.6 secs Computing kpt #: 70 total cpu time spent up to now is 35.0 secs Computing kpt #: 71 total cpu time spent up to now is 35.4 secs Computing kpt #: 72 total cpu time spent up to now is 35.8 secs Computing kpt #: 73 total cpu time spent up to now is 36.2 secs Computing kpt #: 74 total cpu time spent up to now is 36.6 secs Computing kpt #: 75 total cpu time spent up to now is 37.1 secs Computing kpt #: 76 total cpu time spent up to now is 37.5 secs Computing kpt #: 77 total cpu time spent up to now is 37.9 secs Computing kpt #: 78 total cpu time spent up to now is 38.3 secs Computing kpt #: 79 total cpu time spent up to now is 38.7 secs Computing kpt #: 80 total cpu time spent up to now is 39.1 secs Computing kpt #: 81 total cpu time spent up to now is 39.6 secs Computing kpt #: 82 total cpu time spent up to now is 40.0 secs Computing kpt #: 83 total cpu time spent up to now is 40.4 secs Computing kpt #: 84 total cpu time spent up to now is 40.9 secs Computing kpt #: 85 total cpu time spent up to now is 41.3 secs Computing kpt #: 86 total cpu time spent up to now is 41.7 secs Computing kpt #: 87 total cpu time spent up to now is 42.2 secs Computing kpt #: 88 total cpu time spent up to now is 42.6 secs Computing kpt #: 89 total cpu time spent up to now is 43.0 secs Computing kpt #: 90 total cpu time spent up to now is 43.4 secs Computing kpt #: 91 total cpu time spent up to now is 43.9 secs Computing kpt #: 92 total cpu time spent up to now is 44.3 secs Computing kpt #: 93 total cpu time spent up to now is 44.7 secs Computing kpt #: 94 total cpu time spent up to now is 45.1 secs Computing kpt #: 95 total cpu time spent up to now is 45.5 secs Computing kpt #: 96 total cpu time spent up to now is 45.9 secs Computing kpt #: 97 total cpu time spent up to now is 46.3 secs Computing kpt #: 98 total cpu 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52.7 secs Computing kpt #: 114 total cpu time spent up to now is 53.1 secs Computing kpt #: 115 total cpu time spent up to now is 53.5 secs Computing kpt #: 116 total cpu time spent up to now is 53.9 secs Computing kpt #: 117 total cpu time spent up to now is 54.3 secs Computing kpt #: 118 total cpu time spent up to now is 54.7 secs Computing kpt #: 119 total cpu time spent up to now is 55.1 secs Computing kpt #: 120 total cpu time spent up to now is 55.5 secs Computing kpt #: 121 total cpu time spent up to now is 55.9 secs Computing kpt #: 122 total cpu time spent up to now is 56.3 secs Computing kpt #: 123 total cpu time spent up to now is 56.6 secs Computing kpt #: 124 total cpu time spent up to now is 57.0 secs Computing kpt #: 125 total cpu time spent up to now is 57.4 secs Computing kpt #: 126 total cpu time spent up to now is 57.8 secs Computing kpt #: 127 total cpu time spent up to now is 58.2 secs Computing kpt #: 128 total cpu time spent up to now is 58.5 secs Computing kpt 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spent up to now is 64.7 secs Computing kpt #: 145 total cpu time spent up to now is 65.1 secs Computing kpt #: 146 total cpu time spent up to now is 65.5 secs Computing kpt #: 147 total cpu time spent up to now is 65.9 secs Computing kpt #: 148 total cpu time spent up to now is 66.3 secs Computing kpt #: 149 total cpu time spent up to now is 66.7 secs Computing kpt #: 150 total cpu time spent up to now is 67.1 secs Computing kpt #: 151 total cpu time spent up to now is 67.5 secs Computing kpt #: 152 total cpu time spent up to now is 67.9 secs Computing kpt #: 153 total cpu time spent up to now is 68.4 secs Computing kpt #: 154 total cpu time spent up to now is 68.8 secs Computing kpt #: 155 total cpu time spent up to now is 69.2 secs Computing kpt #: 156 total cpu time spent up to now is 69.6 secs Computing kpt #: 157 total cpu time spent up to now is 70.0 secs Computing kpt #: 158 total cpu time spent up to now is 70.4 secs Computing kpt #: 159 total cpu time spent up to now is 70.9 secs Computing kpt #: 160 total cpu time spent up to now is 71.3 secs Computing kpt #: 161 total cpu time spent up to now is 71.7 secs Computing kpt #: 162 total cpu time spent up to now is 72.1 secs Computing kpt #: 163 total cpu time spent up to now is 72.5 secs Computing kpt #: 164 total cpu time spent up to now is 72.9 secs Computing kpt #: 165 total cpu time spent up to now is 73.4 secs Computing kpt #: 166 total cpu time spent up to now is 73.8 secs Computing kpt #: 167 total cpu time spent up to now is 74.2 secs Computing kpt #: 168 total cpu time spent up to now is 74.6 secs Computing kpt #: 169 total cpu time spent up to now is 75.1 secs Computing kpt #: 170 total cpu time spent up to now is 75.5 secs Computing kpt #: 171 total cpu time spent up to now is 76.0 secs Computing kpt #: 172 total cpu time spent up to now is 76.4 secs Computing kpt #: 173 total cpu time spent up to now is 76.8 secs Computing kpt #: 174 total cpu time spent up to now is 77.2 secs Computing kpt #: 175 total cpu time spent up to now is 77.7 secs Computing kpt #: 176 total cpu time spent up to now is 78.1 secs Computing kpt #: 177 total cpu time spent up to now is 78.5 secs Computing kpt #: 178 total cpu time spent up to now is 79.0 secs Computing kpt #: 179 total cpu time spent up to now is 79.4 secs Computing kpt #: 180 total cpu time spent up to now is 79.9 secs Computing kpt #: 181 total cpu time spent up to now is 80.5 secs Computing kpt #: 182 total cpu time spent up to now is 81.0 secs Computing kpt #: 183 total cpu time spent up to now is 81.6 secs Computing kpt #: 184 total cpu time spent up to now is 82.1 secs Computing kpt #: 185 total cpu time spent up to now is 82.6 secs Computing kpt #: 186 total cpu time spent up to now is 83.2 secs Computing kpt #: 187 total cpu time spent up to now is 83.8 secs Computing kpt #: 188 total cpu time spent up to now is 84.3 secs Computing kpt #: 189 total cpu time spent up to now is 84.9 secs Computing kpt #: 190 total cpu time spent up to now is 85.4 secs Computing kpt #: 191 total cpu time spent up to now is 86.0 secs Computing kpt #: 192 total cpu time spent up to now is 86.6 secs Computing kpt #: 193 total cpu time spent up to now is 87.2 secs Computing kpt #: 194 total cpu time spent up to now is 87.8 secs Computing kpt #: 195 total cpu time spent up to now is 88.4 secs Computing kpt #: 196 total cpu time spent up to now is 89.0 secs Computing kpt #: 197 total cpu time spent up to now is 89.6 secs Computing kpt #: 198 total cpu time spent up to now is 90.1 secs Computing kpt #: 199 total cpu time spent up to now is 90.6 secs Computing kpt #: 200 total cpu time spent up to now is 91.1 secs Computing kpt #: 201 total cpu time spent up to now is 91.6 secs Computing kpt #: 202 total cpu time spent up to now is 92.0 secs Computing kpt #: 203 total cpu time spent up to now is 92.4 secs Computing kpt #: 204 total cpu time spent up to now is 92.9 secs Computing kpt #: 205 total cpu time spent up to now is 93.3 secs Computing kpt #: 206 total cpu time spent up to now is 93.7 secs Computing kpt #: 207 total cpu time spent up to now is 94.1 secs Computing kpt #: 208 total cpu time spent up to now is 94.5 secs Computing kpt #: 209 total cpu time spent up to now is 95.0 secs Computing kpt #: 210 total cpu time spent up to now is 95.4 secs Computing kpt #: 211 total cpu time spent up to now is 95.8 secs Computing kpt #: 212 total cpu time spent up to now is 96.2 secs Computing kpt #: 213 total cpu time spent up to now is 96.6 secs Computing kpt #: 214 total cpu time spent up to now is 97.0 secs Computing kpt #: 215 total cpu time spent up to now is 97.4 secs Computing kpt #: 216 total cpu time spent up to now is 97.9 secs Computing kpt #: 217 total cpu time spent up to now is 98.3 secs Computing kpt #: 218 total cpu time spent up to now is 98.7 secs Computing kpt #: 219 total cpu time spent up to now is 99.2 secs Computing kpt #: 220 total cpu time spent up to now is 99.6 secs Computing kpt #: 221 total cpu time spent up to now is 100.0 secs Computing kpt #: 222 total cpu time spent up to now is 100.5 secs Computing kpt #: 223 total cpu time spent up to now is 100.9 secs Computing kpt #: 224 total cpu time spent up to now is 101.3 secs Computing kpt #: 225 total cpu time spent up to now is 101.8 secs Computing kpt #: 226 total cpu time spent up to now is 102.2 secs Computing kpt #: 227 total cpu time spent up to now is 102.7 secs Computing kpt #: 228 total cpu time spent up to now is 103.2 secs Computing kpt #: 229 total cpu time spent up to now is 103.7 secs Computing kpt #: 230 total cpu time spent up to now is 104.2 secs Computing kpt #: 231 total cpu time spent up to now is 104.8 secs Computing kpt #: 232 total cpu time spent up to now is 105.3 secs Computing kpt #: 233 total cpu time spent up to now is 105.8 secs Computing kpt #: 234 total cpu time spent up to now is 106.4 secs Computing kpt #: 235 total cpu time spent up to now is 107.0 secs Computing kpt #: 236 total cpu time spent up to now is 107.6 secs Computing kpt #: 237 total cpu time spent up to now is 108.2 secs Computing kpt #: 238 total cpu time spent up to now is 108.8 secs Computing kpt #: 239 total cpu time spent up to now is 109.6 secs Computing kpt #: 240 total cpu time spent up to now is 110.4 secs Computing kpt #: 241 total cpu time spent up to now is 111.1 secs Computing kpt #: 242 total cpu time spent up to now is 111.9 secs Computing kpt #: 243 total cpu time spent up to now is 112.7 secs Computing kpt #: 244 total cpu time spent up to now is 113.4 secs Computing kpt #: 245 total cpu time spent up to now is 114.2 secs Computing kpt #: 246 total cpu time spent up to now is 114.9 secs Computing kpt #: 247 total cpu time spent up to now is 115.7 secs Computing kpt #: 248 total cpu time spent up to now is 116.5 secs Computing kpt #: 249 total cpu time spent up to now is 117.2 secs Computing kpt #: 250 total cpu time spent up to now is 118.0 secs Computing kpt #: 251 total cpu time spent up to now is 118.8 secs Computing kpt #: 252 total cpu time spent up to now is 119.6 secs Computing kpt #: 253 total cpu time spent up to now is 120.8 secs Computing kpt #: 254 total cpu time spent up to now is 121.8 secs Computing kpt #: 255 total cpu time spent up to now is 122.5 secs Computing kpt #: 256 total cpu time spent up to now is 123.2 secs Computing kpt #: 257 total cpu time spent up to now is 123.7 secs Computing kpt #: 258 total cpu time spent up to now is 124.3 secs Computing kpt #: 259 total cpu time spent up to now is 124.8 secs Computing kpt #: 260 total cpu time spent up to now is 125.4 secs Computing kpt #: 261 total cpu time spent up to now is 125.9 secs Computing kpt #: 262 total cpu time spent up to now is 126.4 secs Computing kpt #: 263 total cpu time spent up to now is 127.0 secs Computing kpt #: 264 total cpu time spent up to now is 127.5 secs Computing kpt #: 265 total cpu time spent up to now is 128.0 secs Computing kpt #: 266 total cpu time spent up to now is 128.5 secs Computing kpt #: 267 total cpu time spent up to now is 129.0 secs Computing kpt #: 268 total cpu time spent up to now is 129.5 secs Computing kpt #: 269 total cpu time spent up to now is 130.1 secs Computing kpt #: 270 total cpu time spent up to now is 130.6 secs Computing kpt #: 271 total cpu time spent up to now is 131.1 secs Computing kpt #: 272 total cpu time spent up to now is 131.7 secs Computing kpt #: 273 total cpu time spent up to now is 132.2 secs Computing kpt #: 274 total cpu time spent up to now is 132.9 secs Computing kpt #: 275 total cpu time spent up to now is 133.5 secs Computing kpt #: 276 total cpu time spent up to now is 134.1 secs Computing kpt #: 277 total cpu time spent up to now is 134.7 secs Computing kpt #: 278 total cpu time spent up to now is 135.3 secs Computing kpt #: 279 total cpu time spent up to now is 135.9 secs Computing kpt #: 280 total cpu time spent up to now is 136.4 secs Computing kpt #: 281 total cpu time spent up to now is 137.0 secs Computing kpt #: 282 total cpu time spent up to now is 137.6 secs Computing kpt #: 283 total cpu time spent up to now is 138.1 secs Computing kpt #: 284 total cpu time spent up to now is 138.7 secs Computing kpt #: 285 total cpu time spent up to now is 139.2 secs Computing kpt #: 286 total cpu time spent up to now is 139.8 secs Computing kpt #: 287 total cpu time spent up to now is 140.3 secs Computing kpt #: 288 total cpu time spent up to now is 140.8 secs Computing kpt #: 289 total cpu time spent up to now is 141.4 secs Computing kpt #: 290 total cpu time spent up to now is 141.9 secs Computing kpt #: 291 total cpu time spent up to now is 142.5 secs Computing kpt #: 292 total cpu time spent up to now is 143.0 secs Computing kpt #: 293 total cpu time spent up to now is 143.5 secs Computing kpt #: 294 total cpu time spent up to now is 144.0 secs Computing kpt #: 295 total cpu time spent up to now is 144.5 secs Computing kpt #: 296 total cpu time spent up to now is 144.9 secs Computing kpt #: 297 total cpu time spent up to now is 145.4 secs Computing kpt #: 298 total cpu time spent up to now is 145.8 secs Computing kpt #: 299 total cpu time spent up to now is 146.2 secs Computing kpt #: 300 total cpu time spent up to now is 146.6 secs Computing kpt #: 301 total cpu time spent up to now is 147.1 secs Computing kpt #: 302 total cpu time spent up to now is 147.6 secs Computing kpt #: 303 total cpu time spent up to now is 148.1 secs Computing kpt #: 304 total cpu time spent up to now is 148.7 secs Computing kpt #: 305 total cpu time spent up to now is 149.2 secs Computing kpt #: 306 total cpu time spent up to now is 149.8 secs Computing kpt #: 307 total cpu time spent up to now is 150.3 secs Computing kpt #: 308 total cpu time spent up to now is 150.8 secs Computing kpt #: 309 total cpu time spent up to now is 151.4 secs Computing kpt #: 310 total cpu time spent up to now is 151.9 secs Computing kpt #: 311 total cpu time spent up to now is 152.5 secs Computing kpt #: 312 total cpu time spent up to now is 153.2 secs Computing kpt #: 313 total cpu time spent up to now is 153.8 secs Computing kpt #: 314 total cpu time spent up to now is 154.3 secs Computing kpt #: 315 total cpu time spent up to now is 154.9 secs Computing kpt #: 316 total cpu time spent up to now is 155.4 secs Computing kpt #: 317 total cpu time spent up to now is 156.0 secs Computing kpt #: 318 total cpu time spent up to now is 156.5 secs Computing kpt #: 319 total cpu time spent up to now is 157.1 secs Computing kpt #: 320 total cpu time spent up to now is 157.7 secs Computing kpt #: 321 total cpu time spent up to now is 158.2 secs Computing kpt #: 322 total cpu time spent up to now is 158.8 secs Computing kpt #: 323 total cpu time spent up to now is 159.4 secs Computing kpt #: 324 total cpu time spent up to now is 160.0 secs Computing kpt #: 325 total cpu time spent up to now is 160.6 secs Computing kpt #: 326 total cpu time spent up to now is 161.1 secs Computing kpt #: 327 total cpu time spent up to now is 161.7 secs Computing kpt #: 328 total cpu time spent up to now is 162.2 secs Computing kpt #: 329 total cpu time spent up to now is 162.7 secs Computing kpt #: 330 total cpu time spent up to now is 163.2 secs Computing kpt #: 331 total cpu time spent up to now is 163.7 secs Computing kpt #: 332 total cpu time spent up to now is 164.2 secs Computing kpt #: 333 total cpu time spent up to now is 164.7 secs Computing kpt #: 334 total cpu time spent up to now is 165.1 secs Computing kpt #: 335 total cpu time spent up to now is 165.6 secs Computing kpt #: 336 total cpu time spent up to now is 166.0 secs Computing kpt #: 337 total cpu time spent up to now is 166.4 secs Computing kpt #: 338 total cpu time spent up to now is 166.9 secs Computing kpt #: 339 total cpu time spent up to now is 167.3 secs Computing kpt #: 340 total cpu time spent up to now is 167.7 secs Computing kpt #: 341 total cpu time spent up to now is 168.1 secs Computing kpt #: 342 total cpu time spent up to now is 168.5 secs Computing kpt #: 343 total cpu time spent up to now is 168.9 secs Computing kpt #: 344 total cpu time spent up to now is 169.3 secs Computing kpt #: 345 total cpu time spent up to now is 169.7 secs Computing kpt #: 346 total cpu time spent up to now is 170.2 secs Computing kpt #: 347 total cpu time spent up to now is 170.6 secs Computing kpt #: 348 total cpu time spent up to now is 171.0 secs Computing kpt #: 349 total cpu time spent up to now is 171.4 secs Computing kpt #: 350 total cpu time spent up to now is 171.8 secs Computing kpt #: 351 total cpu time spent up to now is 172.2 secs Computing kpt #: 352 total cpu time spent up to now is 172.6 secs Computing kpt #: 353 total cpu time spent up to now is 173.0 secs Computing kpt #: 354 total cpu time spent up to now is 173.4 secs Computing kpt #: 355 total cpu time spent up to now is 173.8 secs Computing kpt #: 356 total cpu time spent up to now is 174.3 secs Computing kpt #: 357 total cpu time spent up to now is 174.7 secs Computing kpt #: 358 total cpu time spent up to now is 175.1 secs Computing kpt #: 359 total cpu time spent up to now is 175.5 secs Computing kpt #: 360 total cpu time spent up to now is 176.0 secs Computing kpt #: 361 total cpu time spent up to now is 176.4 secs Computing kpt #: 362 total cpu time spent up to now is 176.8 secs Computing kpt #: 363 total cpu time spent up to now is 177.3 secs Computing kpt #: 364 total cpu time spent up to now is 177.7 secs Computing kpt #: 365 total cpu time spent up to now is 178.1 secs Computing kpt #: 366 total cpu time spent up to now is 178.6 secs Computing kpt #: 367 total cpu time spent up to now is 179.0 secs Computing kpt #: 368 total cpu time spent up to now is 179.5 secs Computing kpt #: 369 total cpu time spent up to now is 180.0 secs Computing kpt #: 370 total cpu time spent up to now is 180.6 secs Computing kpt #: 371 total cpu time spent up to now is 181.1 secs Computing kpt #: 372 total cpu time spent up to now is 181.7 secs Computing kpt #: 373 total cpu time spent up to now is 182.2 secs Computing kpt #: 374 total cpu time spent up to now is 182.8 secs Computing kpt #: 375 total cpu time spent up to now is 183.3 secs Computing kpt #: 376 total cpu time spent up to now is 184.0 secs Computing kpt #: 377 total cpu time spent up to now is 184.5 secs Computing kpt #: 378 total cpu time spent up to now is 185.0 secs Computing kpt #: 379 total cpu time spent up to now is 185.6 secs Computing kpt #: 380 total cpu time spent up to now is 186.2 secs Computing kpt #: 381 total cpu time spent up to now is 186.8 secs Computing kpt #: 382 total cpu time spent up to now is 187.4 secs Computing kpt #: 383 total cpu time spent up to now is 188.3 secs ethr = 2.27E-08, avg # of iterations = 20.4 total cpu time spent up to now is 188.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6001 PWs) bands (ev): -63.3695 -63.3695 -35.4803 -35.4803 -34.5449 -34.5449 -34.4632 -34.4632 -23.0990 -23.0990 -17.5143 -17.5143 -16.8463 -16.8463 -16.6884 -16.6884 -6.7516 -6.7516 -6.5018 -6.5018 -6.4682 -6.4682 0.4082 0.4082 0.6280 0.6280 0.6406 0.6406 1.8681 1.8681 1.8810 1.8810 2.1898 2.1898 2.1998 2.1998 2.2575 2.2575 2.2694 2.2694 7.5326 7.5326 7.5495 7.5495 7.5985 7.5985 8.4616 8.4616 8.5107 8.5107 9.4651 9.4651 k = 0.0000 0.0135-0.0000 ( 6001 PWs) bands (ev): -63.3695 -63.3695 -35.4803 -35.4803 -34.5449 -34.5449 -34.4632 -34.4632 -23.0990 -23.0990 -17.5142 -17.5142 -16.8462 -16.8462 -16.6885 -16.6885 -6.7515 -6.7515 -6.5018 -6.5018 -6.4681 -6.4681 0.4083 0.4083 0.6277 0.6277 0.6404 0.6404 1.8676 1.8676 1.8806 1.8806 2.1894 2.1894 2.1991 2.1991 2.2568 2.2568 2.2683 2.2683 7.5336 7.5336 7.5505 7.5505 7.5995 7.5995 8.4614 8.4614 8.5123 8.5123 9.4673 9.4673 k = 0.0000 0.0270-0.0000 ( 6001 PWs) bands (ev): -63.3695 -63.3695 -35.4803 -35.4803 -34.5449 -34.5449 -34.4633 -34.4633 -23.0989 -23.0989 -17.5141 -17.5141 -16.8458 -16.8458 -16.6885 -16.6885 -6.7514 -6.7514 -6.5017 -6.5017 -6.4680 -6.4680 0.4087 0.4087 0.6270 0.6270 0.6398 0.6398 1.8660 1.8660 1.8794 1.8794 2.1881 2.1881 2.1971 2.1971 2.2546 2.2546 2.2653 2.2653 7.5351 7.5351 7.5524 7.5524 7.6018 7.6018 8.4644 8.4644 8.5167 8.5167 9.4742 9.4742 k = 0.0000 0.0405-0.0000 ( 5999 PWs) bands (ev): -63.3693 -63.3693 -35.4804 -35.4804 -34.5449 -34.5449 -34.4633 -34.4633 -23.0988 -23.0988 -17.5139 -17.5139 -16.8453 -16.8453 -16.6886 -16.6886 -6.7513 -6.7513 -6.5016 -6.5016 -6.4678 -6.4678 0.4094 0.4094 0.6255 0.6255 0.6391 0.6391 1.8630 1.8630 1.8778 1.8778 2.1859 2.1859 2.1938 2.1938 2.2506 2.2506 2.2608 2.2608 7.5372 7.5372 7.5554 7.5554 7.6050 7.6050 8.4721 8.4721 8.5244 8.5244 9.4858 9.4858 k = 0.0000 0.0541-0.0000 ( 5991 PWs) bands (ev): -63.3688 -63.3688 -35.4803 -35.4803 -34.5448 -34.5448 -34.4632 -34.4632 -23.0987 -23.0987 -17.5136 -17.5136 -16.8445 -16.8445 -16.6888 -16.6888 -6.7511 -6.7511 -6.5014 -6.5014 -6.4676 -6.4676 0.4103 0.4103 0.6230 0.6230 0.6387 0.6387 1.8582 1.8582 1.8762 1.8762 2.1825 2.1825 2.1890 2.1890 2.2446 2.2446 2.2555 2.2555 7.5400 7.5400 7.5616 7.5616 7.6130 7.6130 8.4779 8.4779 8.5370 8.5370 9.5022 9.5022 k = 0.0000 0.0676-0.0000 ( 5979 PWs) bands (ev): -63.3680 -63.3680 -35.4802 -35.4802 -34.5447 -34.5447 -34.4631 -34.4631 -23.0985 -23.0985 -17.5133 -17.5133 -16.8435 -16.8435 -16.6890 -16.6890 -6.7509 -6.7509 -6.5011 -6.5011 -6.4672 -6.4672 0.4115 0.4115 0.6193 0.6193 0.6386 0.6386 1.8512 1.8512 1.8747 1.8747 2.1779 2.1779 2.1828 2.1828 2.2368 2.2368 2.2499 2.2499 7.5433 7.5433 7.5705 7.5705 7.6233 7.6233 8.4840 8.4840 8.5543 8.5543 9.5234 9.5234 k = 0.0000 0.0811-0.0000 ( 5979 PWs) bands (ev): -63.3680 -63.3680 -35.4803 -35.4803 -34.5448 -34.5448 -34.4632 -34.4632 -23.0983 -23.0983 -17.5129 -17.5129 -16.8422 -16.8422 -16.6892 -16.6892 -6.7506 -6.7506 -6.5009 -6.5009 -6.4668 -6.4668 0.4129 0.4129 0.6145 0.6145 0.6389 0.6389 1.8421 1.8421 1.8733 1.8733 2.1711 2.1711 2.1754 2.1754 2.2280 2.2280 2.2440 2.2440 7.5454 7.5454 7.5791 7.5791 7.6323 7.6323 8.4884 8.4884 8.5758 8.5758 9.5493 9.5493 k = 0.0000 0.0946-0.0000 ( 5977 PWs) bands (ev): -63.3679 -63.3679 -35.4803 -35.4803 -34.5448 -34.5448 -34.4632 -34.4632 -23.0980 -23.0980 -17.5124 -17.5124 -16.8408 -16.8408 -16.6895 -16.6895 -6.7502 -6.7502 -6.5006 -6.5006 -6.4664 -6.4664 0.4146 0.4146 0.6085 0.6085 0.6396 0.6396 1.8308 1.8308 1.8720 1.8720 2.1610 2.1610 2.1679 2.1679 2.2190 2.2190 2.2378 2.2378 7.5473 7.5473 7.5891 7.5891 7.6431 7.6431 8.4924 8.4924 8.6033 8.6033 9.5802 9.5802 k = 0.0000 0.1081-0.0000 ( 5975 PWs) bands (ev): -63.3677 -63.3677 -35.4803 -35.4803 -34.5448 -34.5448 -34.4633 -34.4633 -23.0978 -23.0978 -17.5118 -17.5118 -16.8392 -16.8392 -16.6898 -16.6898 -6.7498 -6.7498 -6.5002 -6.5002 -6.4658 -6.4658 0.4165 0.4165 0.6015 0.6015 0.6405 0.6405 1.8173 1.8173 1.8706 1.8706 2.1480 2.1480 2.1598 2.1598 2.2101 2.2101 2.2314 2.2314 7.5484 7.5484 7.6024 7.6024 7.6564 7.6564 8.4952 8.4952 8.6328 8.6328 9.6162 9.6162 k = 0.0000 0.1216-0.0000 ( 5979 PWs) bands (ev): -63.3680 -63.3680 -35.4804 -35.4804 -34.5449 -34.5449 -34.4635 -34.4635 -23.0975 -23.0975 -17.5112 -17.5112 -16.8374 -16.8374 -16.6902 -16.6902 -6.7494 -6.7494 -6.4998 -6.4998 -6.4653 -6.4653 0.4186 0.4186 0.5936 0.5936 0.6417 0.6417 1.8014 1.8014 1.8691 1.8691 2.1330 2.1330 2.1509 2.1509 2.2013 2.2013 2.2249 2.2249 7.5491 7.5491 7.6149 7.6149 7.6700 7.6700 8.4980 8.4980 8.6647 8.6647 9.6575 9.6575 k = 0.0000 0.1351-0.0000 ( 5971 PWs) bands (ev): -63.3674 -63.3674 -35.4804 -35.4804 -34.5449 -34.5449 -34.4635 -34.4635 -23.0971 -23.0971 -17.5105 -17.5105 -16.8354 -16.8354 -16.6906 -16.6906 -6.7489 -6.7489 -6.4994 -6.4994 -6.4646 -6.4646 0.4210 0.4210 0.5849 0.5849 0.6431 0.6431 1.7832 1.7832 1.8676 1.8676 2.1165 2.1165 2.1411 2.1411 2.1923 2.1923 2.2187 2.2187 7.5512 7.5512 7.6309 7.6309 7.6858 7.6858 8.5034 8.5034 8.6995 8.6995 9.7041 9.7041 k = 0.0000 0.1486-0.0000 ( 5981 PWs) bands (ev): -63.3681 -63.3681 -35.4806 -35.4806 -34.5450 -34.5450 -34.4637 -34.4637 -23.0968 -23.0968 -17.5098 -17.5098 -16.8332 -16.8332 -16.6910 -16.6910 -6.7484 -6.7484 -6.4989 -6.4989 -6.4639 -6.4639 0.4235 0.4235 0.5753 0.5753 0.6446 0.6446 1.7627 1.7627 1.8661 1.8661 2.0994 2.0994 2.1305 2.1305 2.1826 2.1826 2.2129 2.2129 7.5515 7.5515 7.6456 7.6456 7.7010 7.7010 8.5043 8.5043 8.7344 8.7344 9.7558 9.7558 k = 0.0000 0.1622-0.0000 ( 5985 PWs) bands (ev): -63.3683 -63.3683 -35.4807 -35.4807 -34.5451 -34.5451 -34.4639 -34.4639 -23.0964 -23.0964 -17.5091 -17.5091 -16.8309 -16.8309 -16.6915 -16.6915 -6.7479 -6.7479 -6.4984 -6.4984 -6.4632 -6.4632 0.4263 0.4263 0.5651 0.5651 0.6463 0.6463 1.7398 1.7398 1.8644 1.8644 2.0821 2.0821 2.1191 2.1191 2.1722 2.1722 2.2075 2.2075 7.5532 7.5532 7.6621 7.6621 7.7183 7.7183 8.5068 8.5068 8.7692 8.7692 9.8130 9.8130 k = 0.0000 0.1757-0.0000 ( 5985 PWs) bands (ev): -63.3683 -63.3683 -35.4807 -35.4807 -34.5452 -34.5452 -34.4640 -34.4640 -23.0960 -23.0960 -17.5083 -17.5083 -16.8285 -16.8285 -16.6919 -16.6919 -6.7473 -6.7473 -6.4979 -6.4979 -6.4624 -6.4624 0.4292 0.4292 0.5543 0.5543 0.6482 0.6482 1.7147 1.7147 1.8627 1.8627 2.0651 2.0651 2.1071 2.1071 2.1610 2.1610 2.2025 2.2025 7.5544 7.5544 7.6802 7.6802 7.7376 7.7376 8.5098 8.5098 8.8055 8.8055 9.8755 9.8755 k = 0.0000 0.1892-0.0000 ( 5991 PWs) bands (ev): -63.3687 -63.3687 -35.4809 -35.4809 -34.5453 -34.5453 -34.4643 -34.4643 -23.0956 -23.0956 -17.5075 -17.5075 -16.8260 -16.8260 -16.6924 -16.6924 -6.7467 -6.7467 -6.4973 -6.4973 -6.4616 -6.4616 0.4323 0.4323 0.5429 0.5429 0.6501 0.6501 1.6876 1.6876 1.8609 1.8609 2.0486 2.0486 2.0945 2.0945 2.1492 2.1492 2.1978 2.1978 7.5569 7.5569 7.6980 7.6980 7.7547 7.7547 8.5111 8.5111 8.8424 8.8424 9.9431 9.9431 k = 0.0000 0.2027-0.0000 ( 5987 PWs) bands (ev): -63.3684 -63.3684 -35.4809 -35.4809 -34.5453 -34.5453 -34.4644 -34.4644 -23.0951 -23.0951 -17.5067 -17.5067 -16.8233 -16.8233 -16.6929 -16.6929 -6.7461 -6.7461 -6.4968 -6.4968 -6.4607 -6.4607 0.4355 0.4355 0.5310 0.5310 0.6522 0.6522 1.6588 1.6588 1.8590 1.8590 2.0328 2.0328 2.0816 2.0816 2.1368 2.1368 2.1934 2.1934 7.5588 7.5588 7.7181 7.7181 7.7748 7.7748 8.5149 8.5149 8.8803 8.8803 10.0158 10.0158 k = 0.0000 0.2162-0.0000 ( 5981 PWs) bands (ev): -63.3681 -63.3681 -35.4809 -35.4809 -34.5452 -34.5452 -34.4645 -34.4645 -23.0947 -23.0947 -17.5058 -17.5058 -16.8206 -16.8206 -16.6935 -16.6935 -6.7455 -6.7455 -6.4962 -6.4962 -6.4599 -6.4599 0.4389 0.4389 0.5188 0.5188 0.6544 0.6544 1.6286 1.6286 1.8571 1.8571 2.0178 2.0178 2.0683 2.0683 2.1241 2.1241 2.1891 2.1891 7.5618 7.5618 7.7398 7.7398 7.7959 7.7959 8.5178 8.5178 8.9165 8.9165 10.0932 10.0932 k = 0.0000 0.2297-0.0000 ( 5977 PWs) bands (ev): -63.3678 -63.3678 -35.4810 -35.4810 -34.5453 -34.5453 -34.4646 -34.4646 -23.0942 -23.0942 -17.5050 -17.5050 -16.8178 -16.8178 -16.6940 -16.6940 -6.7448 -6.7448 -6.4956 -6.4956 -6.4590 -6.4590 0.4424 0.4424 0.5062 0.5062 0.6566 0.6566 1.5973 1.5973 1.8552 1.8552 2.0037 2.0037 2.0548 2.0548 2.1110 2.1110 2.1850 2.1850 7.5652 7.5652 7.7598 7.7598 7.8176 7.8176 8.5200 8.5200 8.9532 8.9532 10.1752 10.1752 k = 0.0000 0.2432-0.0000 ( 5961 PWs) bands (ev): -63.3668 -63.3668 -35.4809 -35.4809 -34.5452 -34.5452 -34.4646 -34.4646 -23.0938 -23.0938 -17.5041 -17.5041 -16.8149 -16.8149 -16.6945 -16.6945 -6.7442 -6.7442 -6.4950 -6.4950 -6.4581 -6.4581 0.4459 0.4459 0.4935 0.4935 0.6589 0.6589 1.5654 1.5654 1.8532 1.8532 1.9904 1.9904 2.0412 2.0412 2.0977 2.0977 2.1810 2.1810 7.5683 7.5683 7.7821 7.7821 7.8414 7.8414 8.5239 8.5239 8.9913 8.9913 10.2614 10.2614 k = 0.0000 0.2568-0.0000 ( 5961 PWs) bands (ev): -63.3668 -63.3668 -35.4810 -35.4810 -34.5452 -34.5452 -34.4648 -34.4648 -23.0933 -23.0933 -17.5033 -17.5033 -16.8121 -16.8121 -16.6951 -16.6951 -6.7435 -6.7435 -6.4944 -6.4944 -6.4571 -6.4571 0.4495 0.4495 0.4805 0.4805 0.6613 0.6613 1.5332 1.5332 1.8512 1.8512 1.9780 1.9780 2.0275 2.0275 2.0843 2.0843 2.1771 2.1771 7.5691 7.5691 7.8036 7.8036 7.8621 7.8621 8.5267 8.5267 9.0253 9.0253 10.3512 10.3512 k = 0.0000 0.2703-0.0000 ( 5959 PWs) bands (ev): -63.3666 -63.3666 -35.4810 -35.4810 -34.5453 -34.5453 -34.4649 -34.4649 -23.0928 -23.0928 -17.5025 -17.5025 -16.8092 -16.8092 -16.6956 -16.6956 -6.7429 -6.7429 -6.4938 -6.4938 -6.4562 -6.4562 0.4531 0.4531 0.4676 0.4676 0.6637 0.6637 1.5010 1.5010 1.8492 1.8492 1.9662 1.9662 2.0140 2.0140 2.0709 2.0709 2.1733 2.1733 7.5709 7.5709 7.8234 7.8234 7.8833 7.8833 8.5286 8.5286 9.0600 9.0600 10.4445 10.4445 k = 0.0000 0.2838-0.0000 ( 5963 PWs) bands (ev): -63.3669 -63.3669 -35.4812 -35.4812 -34.5454 -34.5454 -34.4651 -34.4651 -23.0924 -23.0924 -17.5016 -17.5016 -16.8063 -16.8063 -16.6962 -16.6962 -6.7423 -6.7423 -6.4932 -6.4932 -6.4553 -6.4553 0.4542 0.4542 0.4571 0.4571 0.6661 0.6661 1.4693 1.4693 1.8472 1.8472 1.9553 1.9553 2.0006 2.0006 2.0577 2.0577 2.1696 2.1696 7.5718 7.5718 7.8426 7.8426 7.9035 7.9035 8.5300 8.5300 9.0919 9.0919 10.5408 10.5408 k = 0.0000 0.2973-0.0000 ( 5963 PWs) bands (ev): -63.3669 -63.3669 -35.4812 -35.4812 -34.5455 -34.5455 -34.4653 -34.4653 -23.0919 -23.0919 -17.5009 -17.5009 -16.8035 -16.8035 -16.6967 -16.6967 -6.7416 -6.7416 -6.4926 -6.4926 -6.4544 -6.4544 0.4417 0.4417 0.4605 0.4605 0.6685 0.6685 1.4382 1.4382 1.8453 1.8453 1.9450 1.9450 1.9875 1.9875 2.0447 2.0447 2.1660 2.1660 7.5734 7.5734 7.8619 7.8619 7.9247 7.9247 8.5308 8.5308 9.1224 9.1224 10.6398 10.6398 k = 0.0000 0.3108-0.0000 ( 5959 PWs) bands (ev): -63.3667 -63.3667 -35.4813 -35.4813 -34.5455 -34.5455 -34.4654 -34.4654 -23.0915 -23.0915 -17.5001 -17.5001 -16.8008 -16.8008 -16.6972 -16.6972 -6.7410 -6.7410 -6.4921 -6.4921 -6.4536 -6.4536 0.4291 0.4291 0.4640 0.4640 0.6708 0.6708 1.4081 1.4081 1.8433 1.8433 1.9354 1.9354 1.9749 1.9749 2.0320 2.0320 2.1626 2.1626 7.5750 7.5750 7.8816 7.8816 7.9450 7.9450 8.5343 8.5343 9.1511 9.1511 10.7411 10.7411 k = 0.0000 0.3243-0.0000 ( 5961 PWs) bands (ev): -63.3668 -63.3668 -35.4814 -35.4814 -34.5456 -34.5456 -34.4655 -34.4655 -23.0911 -23.0911 -17.4994 -17.4994 -16.7981 -16.7981 -16.6977 -16.6977 -6.7404 -6.7404 -6.4915 -6.4915 -6.4527 -6.4527 0.4168 0.4168 0.4675 0.4675 0.6731 0.6731 1.3792 1.3792 1.8413 1.8413 1.9265 1.9265 1.9627 1.9627 2.0197 2.0197 2.1593 2.1593 7.5765 7.5765 7.8984 7.8984 7.9643 7.9643 8.5355 8.5355 9.1790 9.1790 10.8441 10.8441 k = 0.0000 0.3378-0.0000 ( 5965 PWs) bands (ev): -63.3671 -63.3671 -35.4815 -35.4815 -34.5456 -34.5456 -34.4658 -34.4658 -23.0907 -23.0907 -17.4987 -17.4987 -16.7955 -16.7955 -16.6982 -16.6982 -6.7399 -6.7399 -6.4910 -6.4910 -6.4519 -6.4519 0.4048 0.4048 0.4709 0.4709 0.6754 0.6754 1.3517 1.3517 1.8394 1.8394 1.9182 1.9182 1.9511 1.9511 2.0079 2.0079 2.1562 2.1562 7.5772 7.5772 7.9164 7.9164 7.9816 7.9816 8.5366 8.5366 9.2036 9.2036 10.9484 10.9484 k = 0.0000 0.3514-0.0000 ( 5965 PWs) bands (ev): -63.3671 -63.3671 -35.4815 -35.4815 -34.5457 -34.5457 -34.4659 -34.4659 -23.0903 -23.0903 -17.4981 -17.4981 -16.7931 -16.7931 -16.6987 -16.6987 -6.7393 -6.7393 -6.4905 -6.4905 -6.4511 -6.4511 0.3934 0.3934 0.4741 0.4741 0.6776 0.6776 1.3259 1.3259 1.8375 1.8375 1.9106 1.9106 1.9403 1.9403 1.9966 1.9966 2.1533 2.1533 7.5786 7.5786 7.9332 7.9332 7.9991 7.9991 8.5374 8.5374 9.2278 9.2278 11.0537 11.0537 k = 0.0000 0.3649-0.0000 ( 5961 PWs) bands (ev): -63.3669 -63.3669 -35.4816 -35.4816 -34.5457 -34.5457 -34.4660 -34.4660 -23.0899 -23.0899 -17.4975 -17.4975 -16.7907 -16.7907 -16.6991 -16.6991 -6.7388 -6.7388 -6.4900 -6.4900 -6.4504 -6.4504 0.3827 0.3827 0.4772 0.4772 0.6797 0.6797 1.3018 1.3018 1.8356 1.8356 1.9036 1.9036 1.9302 1.9302 1.9860 1.9860 2.1505 2.1505 7.5809 7.5809 7.9493 7.9493 8.0168 8.0168 8.5381 8.5381 9.2502 9.2502 11.1595 11.1595 k = 0.0000 0.3784-0.0000 ( 5961 PWs) bands (ev): -63.3669 -63.3669 -35.4816 -35.4816 -34.5458 -34.5458 -34.4661 -34.4661 -23.0896 -23.0896 -17.4969 -17.4969 -16.7886 -16.7886 -16.6995 -16.6995 -6.7384 -6.7384 -6.4896 -6.4896 -6.4497 -6.4497 0.3726 0.3726 0.4801 0.4801 0.6816 0.6816 1.2797 1.2797 1.8338 1.8338 1.8973 1.8973 1.9210 1.9210 1.9761 1.9761 2.1480 2.1480 7.5821 7.5821 7.9639 7.9639 8.0322 8.0322 8.5393 8.5393 9.2700 9.2700 11.2653 11.2653 k = 0.0000 0.3919-0.0000 ( 5961 PWs) bands (ev): -63.3669 -63.3669 -35.4817 -35.4817 -34.5458 -34.5458 -34.4662 -34.4662 -23.0893 -23.0893 -17.4964 -17.4964 -16.7866 -16.7866 -16.6999 -16.6999 -6.7379 -6.7379 -6.4892 -6.4892 -6.4491 -6.4491 0.3632 0.3632 0.4828 0.4828 0.6834 0.6834 1.2597 1.2597 1.8320 1.8320 1.8916 1.8916 1.9127 1.9127 1.9671 1.9671 2.1457 2.1457 7.5841 7.5841 7.9769 7.9769 8.0481 8.0481 8.5408 8.5408 9.2846 9.2846 11.3703 11.3703 k = 0.0000 0.4054-0.0000 ( 5965 PWs) bands (ev): -63.3671 -63.3671 -35.4818 -35.4818 -34.5459 -34.5459 -34.4663 -34.4663 -23.0890 -23.0890 -17.4960 -17.4960 -16.7848 -16.7848 -16.7002 -16.7002 -6.7375 -6.7375 -6.4888 -6.4888 -6.4486 -6.4486 0.3547 0.3547 0.4852 0.4852 0.6851 0.6851 1.2418 1.2418 1.8302 1.8302 1.8865 1.8865 1.9054 1.9054 1.9589 1.9589 2.1436 2.1436 7.5840 7.5840 7.9885 7.9885 8.0593 8.0593 8.5406 8.5406 9.3021 9.3021 11.4741 11.4741 k = 0.0000 0.4189-0.0000 ( 5969 PWs) bands (ev): -63.3674 -63.3674 -35.4819 -35.4819 -34.5460 -34.5460 -34.4664 -34.4664 -23.0888 -23.0888 -17.4956 -17.4956 -16.7832 -16.7832 -16.7005 -16.7005 -6.7372 -6.7372 -6.4885 -6.4885 -6.4481 -6.4481 0.3472 0.3472 0.4874 0.4874 0.6865 0.6865 1.2261 1.2261 1.8285 1.8285 1.8821 1.8821 1.8991 1.8991 1.9516 1.9516 2.1418 2.1418 7.5843 7.5843 7.9978 7.9978 8.0701 8.0701 8.5410 8.5410 9.3161 9.3161 11.5756 11.5756 k = 0.0000 0.4324-0.0000 ( 5965 PWs) bands (ev): -63.3672 -63.3672 -35.4819 -35.4819 -34.5460 -34.5460 -34.4664 -34.4664 -23.0886 -23.0886 -17.4952 -17.4952 -16.7818 -16.7818 -16.7008 -16.7008 -6.7369 -6.7369 -6.4882 -6.4882 -6.4477 -6.4477 0.3408 0.3408 0.4893 0.4893 0.6878 0.6878 1.2128 1.2128 1.8270 1.8270 1.8784 1.8784 1.8938 1.8938 1.9453 1.9453 2.1402 2.1402 7.5855 7.5855 8.0074 8.0074 8.0813 8.0813 8.5409 8.5409 9.3287 9.3287 11.6737 11.6737 k = 0.0000 0.4459-0.0000 ( 5965 PWs) bands (ev): -63.3672 -63.3672 -35.4819 -35.4819 -34.5460 -34.5460 -34.4665 -34.4665 -23.0884 -23.0884 -17.4950 -17.4950 -16.7807 -16.7807 -16.7010 -16.7010 -6.7367 -6.7367 -6.4880 -6.4880 -6.4473 -6.4473 0.3354 0.3354 0.4908 0.4908 0.6889 0.6889 1.2018 1.2018 1.8256 1.8256 1.8753 1.8753 1.8897 1.8897 1.9401 1.9401 2.1389 2.1389 7.5861 7.5861 8.0161 8.0161 8.0873 8.0873 8.5422 8.5422 9.3383 9.3383 11.7663 11.7663 k = 0.0000 0.4595-0.0000 ( 5971 PWs) bands (ev): -63.3676 -63.3676 -35.4820 -35.4820 -34.5461 -34.5461 -34.4666 -34.4666 -23.0883 -23.0883 -17.4947 -17.4947 -16.7798 -16.7798 -16.7012 -16.7012 -6.7365 -6.7365 -6.4878 -6.4878 -6.4470 -6.4470 0.3311 0.3311 0.4921 0.4921 0.6897 0.6897 1.1932 1.1932 1.8244 1.8244 1.8730 1.8730 1.8864 1.8864 1.9359 1.9359 2.1379 2.1379 7.5866 7.5866 8.0211 8.0211 8.0922 8.0922 8.5412 8.5412 9.3456 9.3456 11.8507 11.8507 k = 0.0000 0.4730-0.0000 ( 5979 PWs) bands (ev): -63.3681 -63.3681 -35.4821 -35.4821 -34.5462 -34.5462 -34.4668 -34.4668 -23.0882 -23.0882 -17.4946 -17.4946 -16.7792 -16.7792 -16.7013 -16.7013 -6.7364 -6.7364 -6.4877 -6.4877 -6.4468 -6.4468 0.3280 0.3280 0.4930 0.4930 0.6903 0.6903 1.1870 1.1870 1.8235 1.8235 1.8712 1.8712 1.8842 1.8842 1.9329 1.9329 2.1372 2.1372 7.5864 7.5864 8.0249 8.0249 8.0948 8.0948 8.5395 8.5395 9.3504 9.3504 11.9216 11.9216 k = 0.0000 0.4865-0.0000 ( 5979 PWs) bands (ev): -63.3681 -63.3681 -35.4821 -35.4821 -34.5462 -34.5462 -34.4668 -34.4668 -23.0881 -23.0881 -17.4945 -17.4945 -16.7788 -16.7788 -16.7014 -16.7014 -6.7363 -6.7363 -6.4876 -6.4876 -6.4467 -6.4467 0.3262 0.3262 0.4935 0.4935 0.6906 0.6906 1.1833 1.1833 1.8230 1.8230 1.8702 1.8702 1.8828 1.8828 1.9311 1.9311 2.1368 2.1368 7.5851 7.5851 8.0281 8.0281 8.0974 8.0974 8.5398 8.5398 9.3551 9.3551 11.9712 11.9712 k = 0.0000 0.5000-0.0000 ( 5974 PWs) bands (ev): -63.3678 -63.3678 -35.4820 -35.4820 -34.5462 -34.5462 -34.4667 -34.4667 -23.0881 -23.0881 -17.4945 -17.4945 -16.7786 -16.7786 -16.7014 -16.7014 -6.7362 -6.7362 -6.4876 -6.4876 -6.4467 -6.4467 0.3256 0.3256 0.4937 0.4937 0.6908 0.6908 1.1821 1.1821 1.8228 1.8228 1.8699 1.8699 1.8824 1.8824 1.9305 1.9305 2.1366 2.1366 7.5860 7.5860 8.0295 8.0295 8.0991 8.0991 8.5398 8.5398 9.3573 9.3573 11.9895 11.9895 k = 0.0000 0.5000-0.0000 ( 5974 PWs) bands (ev): -63.3678 -63.3678 -35.4820 -35.4820 -34.5462 -34.5462 -34.4667 -34.4667 -23.0881 -23.0881 -17.4945 -17.4945 -16.7786 -16.7786 -16.7014 -16.7014 -6.7362 -6.7362 -6.4876 -6.4876 -6.4467 -6.4467 0.3256 0.3256 0.4937 0.4937 0.6908 0.6908 1.1821 1.1821 1.8228 1.8228 1.8699 1.8699 1.8824 1.8824 1.9305 1.9305 2.1366 2.1366 7.5860 7.5860 8.0295 8.0295 8.0991 8.0991 8.5398 8.5398 9.3573 9.3573 11.9895 11.9895 k = 0.0135 0.5000-0.0000 ( 5970 PWs) bands (ev): -63.3675 -63.3675 -35.4820 -35.4820 -34.5461 -34.5461 -34.4667 -34.4667 -23.0881 -23.0881 -17.4944 -17.4944 -16.7785 -16.7785 -16.7014 -16.7014 -6.7363 -6.7363 -6.4877 -6.4877 -6.4467 -6.4467 0.3250 0.3250 0.4939 0.4939 0.6909 0.6909 1.1819 1.1819 1.8068 1.8068 1.8734 1.8734 1.8945 1.8945 1.9294 1.9294 2.1360 2.1360 7.5877 7.5877 8.0291 8.0291 8.0994 8.0994 8.5437 8.5437 9.3584 9.3584 11.9914 11.9914 k = 0.0270 0.5000-0.0000 ( 5966 PWs) bands (ev): -63.3672 -63.3672 -35.4820 -35.4820 -34.5461 -34.5461 -34.4666 -34.4666 -23.0880 -23.0880 -17.4942 -17.4942 -16.7782 -16.7782 -16.7015 -16.7015 -6.7364 -6.7364 -6.4879 -6.4879 -6.4467 -6.4467 0.3231 0.3231 0.4946 0.4946 0.6914 0.6914 1.1814 1.1814 1.7779 1.7779 1.8739 1.8739 1.9186 1.9186 1.9291 1.9291 2.1341 2.1341 7.5907 7.5907 8.0293 8.0293 8.1010 8.1010 8.5514 8.5514 9.3608 9.3608 11.9973 11.9973 k = 0.0405 0.5000-0.0000 ( 5950 PWs) bands (ev): -63.3662 -63.3662 -35.4818 -35.4818 -34.5459 -34.5459 -34.4665 -34.4665 -23.0879 -23.0879 -17.4938 -17.4938 -16.7776 -16.7776 -16.7016 -16.7016 -6.7366 -6.7366 -6.4883 -6.4883 -6.4466 -6.4466 0.3200 0.3200 0.4957 0.4957 0.6922 0.6922 1.1804 1.1804 1.7468 1.7468 1.8732 1.8732 1.9170 1.9170 1.9553 1.9553 2.1310 2.1310 7.5960 7.5960 8.0319 8.0319 8.1068 8.1068 8.5640 8.5640 9.3658 9.3658 12.0069 12.0069 k = 0.0541 0.5000-0.0000 ( 5950 PWs) bands (ev): -63.3662 -63.3662 -35.4819 -35.4819 -34.5460 -34.5460 -34.4666 -34.4666 -23.0878 -23.0878 -17.4934 -17.4934 -16.7769 -16.7769 -16.7017 -16.7017 -6.7369 -6.7369 -6.4888 -6.4888 -6.4465 -6.4465 0.3155 0.3155 0.4973 0.4973 0.6933 0.6933 1.1790 1.1790 1.7152 1.7152 1.8719 1.8719 1.9081 1.9081 1.9868 1.9868 2.1267 2.1267 7.6016 7.6016 8.0321 8.0321 8.1105 8.1105 8.5774 8.5774 9.3709 9.3709 12.0205 12.0205 k = 0.0676 0.5000-0.0000 ( 5952 PWs) bands (ev): -63.3663 -63.3663 -35.4819 -35.4819 -34.5460 -34.5460 -34.4666 -34.4666 -23.0877 -23.0877 -17.4928 -17.4928 -16.7759 -16.7759 -16.7019 -16.7019 -6.7373 -6.7373 -6.4894 -6.4894 -6.4465 -6.4465 0.3098 0.3098 0.4993 0.4993 0.6947 0.6947 1.1771 1.1771 1.6840 1.6840 1.8702 1.8702 1.8965 1.8965 2.0184 2.0184 2.1214 2.1214 7.6101 7.6101 8.0309 8.0309 8.1151 8.1151 8.5937 8.5937 9.3771 9.3771 12.0379 12.0379 k = 0.0811 0.5000-0.0000 ( 5948 PWs) bands (ev): -63.3660 -63.3660 -35.4819 -35.4819 -34.5460 -34.5460 -34.4667 -34.4667 -23.0876 -23.0876 -17.4920 -17.4920 -16.7747 -16.7747 -16.7021 -16.7021 -6.7377 -6.7377 -6.4902 -6.4902 -6.4464 -6.4464 0.3029 0.3029 0.5017 0.5017 0.6963 0.6963 1.1746 1.1746 1.6535 1.6535 1.8682 1.8682 1.8827 1.8827 2.0494 2.0494 2.1152 2.1152 7.6195 7.6195 8.0315 8.0315 8.1223 8.1223 8.6139 8.6139 9.3854 9.3854 12.0590 12.0590 k = 0.0946 0.5000-0.0000 ( 5946 PWs) bands (ev): -63.3659 -63.3659 -35.4819 -35.4819 -34.5460 -34.5460 -34.4667 -34.4667 -23.0874 -23.0874 -17.4912 -17.4912 -16.7733 -16.7733 -16.7024 -16.7024 -6.7383 -6.7383 -6.4911 -6.4911 -6.4462 -6.4462 0.2949 0.2949 0.5045 0.5045 0.6980 0.6980 1.1713 1.1713 1.6240 1.6240 1.8656 1.8656 1.8671 1.8671 2.0782 2.0782 2.1097 2.1097 7.6295 7.6295 8.0320 8.0320 8.1299 8.1299 8.6366 8.6366 9.3958 9.3958 12.0840 12.0840 k = 0.1081 0.5000-0.0000 ( 5946 PWs) bands (ev): -63.3659 -63.3659 -35.4820 -35.4820 -34.5460 -34.5460 -34.4668 -34.4668 -23.0872 -23.0872 -17.4903 -17.4903 -16.7717 -16.7717 -16.7027 -16.7027 -6.7389 -6.7389 -6.4921 -6.4921 -6.4461 -6.4461 0.2858 0.2858 0.5078 0.5078 0.6998 0.6998 1.1671 1.1671 1.5958 1.5958 1.8490 1.8490 1.8632 1.8632 2.0912 2.0912 2.1184 2.1184 7.6404 7.6404 8.0316 8.0316 8.1385 8.1385 8.6613 8.6613 9.4089 9.4089 12.1126 12.1126 k = 0.1216 0.5000-0.0000 ( 5962 PWs) bands (ev): -63.3669 -63.3669 -35.4822 -35.4822 -34.5462 -34.5462 -34.4671 -34.4671 -23.0870 -23.0870 -17.4892 -17.4892 -16.7699 -16.7699 -16.7030 -16.7030 -6.7396 -6.7396 -6.4933 -6.4933 -6.4459 -6.4459 0.2755 0.2755 0.5114 0.5114 0.7017 0.7017 1.1619 1.1619 1.5691 1.5691 1.8296 1.8296 1.8602 1.8602 2.0845 2.0845 2.1451 2.1451 7.6510 7.6510 8.0301 8.0301 8.1449 8.1449 8.6854 8.6854 9.4211 9.4211 12.1448 12.1448 k = 0.1351 0.5000-0.0000 ( 5962 PWs) bands (ev): -63.3669 -63.3669 -35.4822 -35.4822 -34.5463 -34.5463 -34.4673 -34.4673 -23.0867 -23.0867 -17.4881 -17.4881 -16.7680 -16.7680 -16.7034 -16.7034 -6.7403 -6.7403 -6.4945 -6.4945 -6.4457 -6.4457 0.2643 0.2643 0.5155 0.5155 0.7037 0.7037 1.1554 1.1554 1.5441 1.5441 1.8090 1.8090 1.8569 1.8569 2.0744 2.0744 2.1736 2.1736 7.6647 7.6647 8.0306 8.0306 8.1552 8.1552 8.7124 8.7124 9.4376 9.4376 12.1806 12.1806 k = 0.1486 0.5000-0.0000 ( 5958 PWs) bands (ev): -63.3667 -63.3667 -35.4823 -35.4823 -34.5462 -34.5462 -34.4674 -34.4674 -23.0864 -23.0864 -17.4868 -17.4868 -16.7659 -16.7659 -16.7038 -16.7038 -6.7411 -6.7411 -6.4959 -6.4959 -6.4455 -6.4455 0.2523 0.2523 0.5198 0.5198 0.7056 0.7056 1.1475 1.1475 1.5212 1.5212 1.7873 1.7873 1.8535 1.8535 2.0629 2.0629 2.2016 2.2016 7.6793 7.6793 8.0328 8.0328 8.1657 8.1657 8.7408 8.7408 9.4574 9.4574 12.2199 12.2199 k = 0.1622 0.5000-0.0000 ( 5954 PWs) bands (ev): -63.3664 -63.3664 -35.4823 -35.4823 -34.5462 -34.5462 -34.4675 -34.4675 -23.0862 -23.0862 -17.4855 -17.4855 -16.7637 -16.7637 -16.7042 -16.7042 -6.7420 -6.7420 -6.4973 -6.4973 -6.4453 -6.4453 0.2394 0.2394 0.5246 0.5246 0.7076 0.7076 1.1381 1.1381 1.5005 1.5005 1.7648 1.7648 1.8497 1.8497 2.0506 2.0506 2.2290 2.2290 7.6958 7.6958 8.0322 8.0322 8.1767 8.1767 8.7708 8.7708 9.4803 9.4803 12.2626 12.2626 k = 0.1757 0.5000-0.0000 ( 5954 PWs) bands (ev): -63.3664 -63.3664 -35.4824 -35.4824 -34.5463 -34.5463 -34.4676 -34.4676 -23.0859 -23.0859 -17.4841 -17.4841 -16.7613 -16.7613 -16.7046 -16.7046 -6.7429 -6.7429 -6.4988 -6.4988 -6.4450 -6.4450 0.2257 0.2257 0.5296 0.5296 0.7094 0.7094 1.1271 1.1271 1.4822 1.4822 1.7418 1.7418 1.8458 1.8458 2.0375 2.0375 2.2555 2.2555 7.7129 7.7129 8.0319 8.0319 8.1876 8.1876 8.7984 8.7984 9.5055 9.5055 12.3086 12.3086 k = 0.1892 0.5000-0.0000 ( 5954 PWs) bands (ev): -63.3664 -63.3664 -35.4825 -35.4825 -34.5464 -34.5464 -34.4678 -34.4678 -23.0855 -23.0855 -17.4827 -17.4827 -16.7588 -16.7588 -16.7051 -16.7051 -6.7438 -6.7438 -6.5004 -6.5004 -6.4447 -6.4447 0.2112 0.2112 0.5350 0.5350 0.7112 0.7112 1.1145 1.1145 1.4663 1.4663 1.7186 1.7186 1.8417 1.8417 2.0237 2.0237 2.2811 2.2811 7.7291 7.7291 8.0319 8.0319 8.2003 8.2003 8.8256 8.8256 9.5334 9.5334 12.3578 12.3578 k = 0.2027 0.5000-0.0000 ( 5958 PWs) bands (ev): -63.3666 -63.3666 -35.4826 -35.4826 -34.5465 -34.5465 -34.4680 -34.4680 -23.0852 -23.0852 -17.4812 -17.4812 -16.7563 -16.7563 -16.7055 -16.7055 -6.7448 -6.7448 -6.5020 -6.5020 -6.4444 -6.4444 0.1960 0.1960 0.5406 0.5406 0.7128 0.7128 1.1004 1.1004 1.4527 1.4527 1.6953 1.6953 1.8374 1.8374 2.0094 2.0094 2.3057 2.3057 7.7459 7.7459 8.0316 8.0316 8.2126 8.2126 8.8501 8.8501 9.5636 9.5636 12.4101 12.4101 k = 0.2162 0.5000-0.0000 ( 5956 PWs) bands (ev): -63.3665 -63.3665 -35.4826 -35.4826 -34.5465 -34.5465 -34.4681 -34.4681 -23.0849 -23.0849 -17.4797 -17.4797 -16.7536 -16.7536 -16.7060 -16.7060 -6.7459 -6.7459 -6.5037 -6.5037 -6.4441 -6.4441 0.1804 0.1804 0.5465 0.5465 0.7142 0.7142 1.0850 1.0850 1.4415 1.4415 1.6722 1.6722 1.8330 1.8330 1.9947 1.9947 2.3293 2.3293 7.7646 7.7646 8.0313 8.0313 8.2261 8.2261 8.8739 8.8739 9.5973 9.5973 12.4654 12.4654 k = 0.2297 0.5000-0.0000 ( 5952 PWs) bands (ev): -63.3662 -63.3662 -35.4827 -35.4827 -34.5466 -34.5466 -34.4682 -34.4682 -23.0846 -23.0846 -17.4782 -17.4782 -16.7509 -16.7509 -16.7065 -16.7065 -6.7469 -6.7469 -6.5054 -6.5054 -6.4438 -6.4438 0.1642 0.1642 0.5525 0.5525 0.7155 0.7155 1.0684 1.0684 1.4324 1.4324 1.6496 1.6496 1.8286 1.8286 1.9797 1.9797 2.3518 2.3518 7.7833 7.7833 8.0316 8.0316 8.2417 8.2417 8.8958 8.8958 9.6324 9.6324 12.5234 12.5234 k = 0.2432 0.5000-0.0000 ( 5956 PWs) bands (ev): -63.3665 -63.3665 -35.4828 -35.4828 -34.5467 -34.5467 -34.4684 -34.4684 -23.0842 -23.0842 -17.4767 -17.4767 -16.7481 -16.7481 -16.7070 -16.7070 -6.7480 -6.7480 -6.5072 -6.5072 -6.4434 -6.4434 0.1477 0.1477 0.5588 0.5588 0.7165 0.7165 1.0510 1.0510 1.4251 1.4251 1.6275 1.6275 1.8241 1.8241 1.9644 1.9644 2.3732 2.3732 7.8020 7.8020 8.0301 8.0301 8.2558 8.2558 8.9145 8.9145 9.6692 9.6692 12.5841 12.5841 k = 0.2568 0.5000-0.0000 ( 5956 PWs) bands (ev): -63.3665 -63.3665 -35.4829 -35.4829 -34.5467 -34.5467 -34.4686 -34.4686 -23.0839 -23.0839 -17.4752 -17.4752 -16.7454 -16.7454 -16.7075 -16.7075 -6.7491 -6.7491 -6.5089 -6.5089 -6.4430 -6.4430 0.1309 0.1309 0.5651 0.5651 0.7174 0.7174 1.0330 1.0330 1.4195 1.4195 1.6062 1.6062 1.8196 1.8196 1.9490 1.9490 2.3936 2.3936 7.8215 7.8215 8.0310 8.0310 8.2702 8.2702 8.9311 8.9311 9.7067 9.7067 12.6473 12.6473 k = 0.2703 0.5000-0.0000 ( 5960 PWs) bands (ev): -63.3667 -63.3667 -35.4830 -35.4830 -34.5468 -34.5468 -34.4688 -34.4688 -23.0835 -23.0835 -17.4736 -17.4736 -16.7426 -16.7426 -16.7080 -16.7080 -6.7502 -6.7502 -6.5107 -6.5107 -6.4427 -6.4427 0.1140 0.1140 0.5716 0.5716 0.7180 0.7180 1.0147 1.0147 1.4152 1.4152 1.5858 1.5858 1.8151 1.8151 1.9336 1.9336 2.4128 2.4128 7.8400 7.8400 8.0313 8.0313 8.2840 8.2840 8.9456 8.9456 9.7452 9.7452 12.7127 12.7127 k = 0.2838 0.5000-0.0000 ( 5954 PWs) bands (ev): -63.3663 -63.3663 -35.4830 -35.4830 -34.5467 -34.5467 -34.4690 -34.4690 -23.0832 -23.0832 -17.4721 -17.4721 -16.7399 -16.7399 -16.7084 -16.7084 -6.7513 -6.7513 -6.5124 -6.5124 -6.4423 -6.4423 0.0972 0.0972 0.5781 0.5781 0.7186 0.7186 0.9964 0.9964 1.4121 1.4121 1.5664 1.5664 1.8107 1.8107 1.9184 1.9184 2.4309 2.4309 7.8588 7.8588 8.0321 8.0321 8.2976 8.2976 8.9625 8.9625 9.7858 9.7858 12.7687 12.7687 k = 0.2973 0.5000-0.0000 ( 5950 PWs) bands (ev): -63.3660 -63.3660 -35.4830 -35.4830 -34.5467 -34.5467 -34.4691 -34.4691 -23.0829 -23.0829 -17.4707 -17.4707 -16.7372 -16.7372 -16.7089 -16.7089 -6.7523 -6.7523 -6.5141 -6.5141 -6.4419 -6.4419 0.0804 0.0804 0.5847 0.5847 0.7189 0.7189 0.9783 0.9783 1.4098 1.4098 1.5482 1.5482 1.8064 1.8064 1.9033 1.9033 2.4478 2.4478 7.8786 7.8786 8.0327 8.0327 8.3119 8.3119 8.9749 8.9749 9.8259 9.8259 12.7903 12.7903 k = 0.3108 0.5000-0.0000 ( 5956 PWs) bands (ev): -63.3664 -63.3664 -35.4832 -35.4832 -34.5469 -34.5469 -34.4693 -34.4693 -23.0825 -23.0825 -17.4693 -17.4693 -16.7345 -16.7345 -16.7094 -16.7094 -6.7534 -6.7534 -6.5157 -6.5157 -6.4415 -6.4415 0.0638 0.0638 0.5911 0.5911 0.7191 0.7191 0.9606 0.9606 1.4083 1.4083 1.5312 1.5312 1.8022 1.8022 1.8885 1.8885 2.4637 2.4637 7.8943 7.8943 8.0330 8.0330 8.3248 8.3248 8.9850 8.9850 9.8647 9.8647 12.8121 12.8121 k = 0.3243 0.5000-0.0000 ( 5952 PWs) bands (ev): -63.3661 -63.3661 -35.4832 -35.4832 -34.5468 -34.5468 -34.4695 -34.4695 -23.0822 -23.0822 -17.4679 -17.4679 -16.7320 -16.7320 -16.7098 -16.7098 -6.7544 -6.7544 -6.5173 -6.5173 -6.4411 -6.4411 0.0476 0.0476 0.5975 0.5975 0.7191 0.7191 0.9435 0.9435 1.4074 1.4074 1.5155 1.5155 1.7981 1.7981 1.8742 1.8742 2.4784 2.4784 7.9128 7.9128 8.0335 8.0335 8.3383 8.3383 8.9952 8.9952 9.9032 9.9032 12.8344 12.8344 k = 0.3378 0.5000-0.0000 ( 5956 PWs) bands (ev): -63.3663 -63.3663 -35.4833 -35.4833 -34.5469 -34.5469 -34.4697 -34.4697 -23.0819 -23.0819 -17.4666 -17.4666 -16.7295 -16.7295 -16.7102 -16.7102 -6.7554 -6.7554 -6.5188 -6.5188 -6.4407 -6.4407 0.0319 0.0319 0.6037 0.6037 0.7190 0.7190 0.9272 0.9272 1.4068 1.4068 1.5011 1.5011 1.7942 1.7942 1.8603 1.8603 2.4919 2.4919 7.9281 7.9281 8.0338 8.0338 8.3505 8.3505 9.0031 9.0031 9.9396 9.9396 12.8568 12.8568 k = 0.3514 0.5000-0.0000 ( 5962 PWs) bands (ev): -63.3667 -63.3667 -35.4834 -35.4834 -34.5470 -34.5470 -34.4699 -34.4699 -23.0816 -23.0816 -17.4654 -17.4654 -16.7272 -16.7272 -16.7106 -16.7106 -6.7563 -6.7563 -6.5202 -6.5202 -6.4404 -6.4404 0.0168 0.0168 0.6097 0.6097 0.7187 0.7187 0.9118 0.9118 1.4064 1.4064 1.4881 1.4881 1.7905 1.7905 1.8471 1.8471 2.5044 2.5044 7.9425 7.9425 8.0344 8.0344 8.3606 8.3606 9.0098 9.0098 9.9740 9.9740 12.8791 12.8791 k = 0.3649 0.5000-0.0000 ( 5958 PWs) bands (ev): -63.3664 -63.3664 -35.4835 -35.4835 -34.5470 -34.5470 -34.4700 -34.4700 -23.0814 -23.0814 -17.4642 -17.4642 -16.7250 -16.7250 -16.7109 -16.7109 -6.7572 -6.7572 -6.5216 -6.5216 -6.4400 -6.4400 0.0026 0.0026 0.6155 0.6155 0.7185 0.7185 0.8974 0.8974 1.4062 1.4062 1.4765 1.4765 1.7870 1.7870 1.8346 1.8346 2.5157 2.5157 7.9568 7.9568 8.0352 8.0352 8.3734 8.3734 9.0168 9.0168 10.0079 10.0079 12.9011 12.9011 k = 0.3784 0.5000-0.0000 ( 5950 PWs) bands (ev): -63.3658 -63.3658 -35.4834 -35.4834 -34.5470 -34.5470 -34.4700 -34.4700 -23.0811 -23.0811 -17.4632 -17.4632 -16.7230 -16.7230 -16.7112 -16.7112 -6.7580 -6.7580 -6.5228 -6.5228 -6.4397 -6.4397 -0.0107 -0.0107 0.6209 0.6209 0.7182 0.7182 0.8842 0.8842 1.4059 1.4059 1.4663 1.4663 1.7838 1.7838 1.8230 1.8230 2.5259 2.5259 7.9722 7.9722 8.0364 8.0364 8.3846 8.3846 9.0225 9.0225 10.0406 10.0406 12.9225 12.9225 k = 0.3919 0.5000-0.0000 ( 5952 PWs) bands (ev): -63.3659 -63.3659 -35.4835 -35.4835 -34.5471 -34.5471 -34.4701 -34.4701 -23.0809 -23.0809 -17.4622 -17.4622 -16.7212 -16.7212 -16.7114 -16.7114 -6.7588 -6.7588 -6.5240 -6.5240 -6.4394 -6.4394 -0.0230 -0.0230 0.6260 0.6260 0.7179 0.7179 0.8722 0.8722 1.4055 1.4055 1.4576 1.4576 1.7808 1.7808 1.8123 1.8123 2.5351 2.5351 7.9818 7.9818 8.0373 8.0373 8.3938 8.3938 9.0276 9.0276 10.0698 10.0698 12.9428 12.9428 k = 0.4054 0.5000-0.0000 ( 5952 PWs) bands (ev): -63.3659 -63.3659 -35.4836 -35.4836 -34.5471 -34.5471 -34.4702 -34.4702 -23.0807 -23.0807 -17.4613 -17.4613 -16.7196 -16.7196 -16.7116 -16.7116 -6.7595 -6.7595 -6.5250 -6.5250 -6.4391 -6.4391 -0.0342 -0.0342 0.6306 0.6306 0.7174 0.7174 0.8614 0.8614 1.4049 1.4049 1.4505 1.4505 1.7782 1.7782 1.8026 1.8026 2.5431 2.5431 7.9922 7.9922 8.0387 8.0387 8.4023 8.4023 9.0317 9.0317 10.0948 10.0948 12.9620 12.9620 k = 0.4189 0.5000-0.0000 ( 5948 PWs) bands (ev): -63.3656 -63.3656 -35.4836 -35.4836 -34.5471 -34.5471 -34.4703 -34.4703 -23.0805 -23.0805 -17.4606 -17.4606 -16.7183 -16.7183 -16.7117 -16.7117 -6.7601 -6.7601 -6.5259 -6.5259 -6.4389 -6.4389 -0.0440 -0.0440 0.6347 0.6347 0.7170 0.7170 0.8520 0.8520 1.4040 1.4040 1.4448 1.4448 1.7759 1.7759 1.7941 1.7941 2.5500 2.5500 8.0012 8.0012 8.0406 8.0406 8.4113 8.4113 9.0356 9.0356 10.1175 10.1175 12.9795 12.9795 k = 0.4324 0.5000-0.0000 ( 5938 PWs) bands (ev): -63.3649 -63.3649 -35.4835 -35.4835 -34.5470 -34.5470 -34.4702 -34.4702 -23.0804 -23.0804 -17.4599 -17.4599 -16.7172 -16.7172 -16.7117 -16.7117 -6.7606 -6.7606 -6.5267 -6.5267 -6.4387 -6.4387 -0.0526 -0.0526 0.6383 0.6383 0.7168 0.7168 0.8441 0.8441 1.4028 1.4028 1.4404 1.4404 1.7738 1.7738 1.7867 1.7867 2.5559 2.5559 8.0090 8.0090 8.0433 8.0433 8.4196 8.4196 9.0393 9.0393 10.1390 10.1390 12.9950 12.9950 k = 0.4459 0.5000-0.0000 ( 5950 PWs) bands (ev): -63.3657 -63.3657 -35.4837 -35.4837 -34.5472 -34.5472 -34.4704 -34.4704 -23.0802 -23.0802 -17.4594 -17.4594 -16.7164 -16.7164 -16.7116 -16.7116 -6.7610 -6.7610 -6.5273 -6.5273 -6.4385 -6.4385 -0.0597 -0.0597 0.6413 0.6413 0.7162 0.7162 0.8374 0.8374 1.4015 1.4015 1.4373 1.4373 1.7721 1.7721 1.7805 1.7805 2.5607 2.5607 8.0104 8.0104 8.0440 8.0440 8.4255 8.4255 9.0412 9.0412 10.1515 10.1515 13.0082 13.0082 k = 0.4595 0.5000-0.0000 ( 5940 PWs) bands (ev): -63.3651 -63.3651 -35.4836 -35.4836 -34.5471 -34.5471 -34.4703 -34.4703 -23.0801 -23.0801 -17.4589 -17.4589 -16.7159 -16.7159 -16.7114 -16.7114 -6.7614 -6.7614 -6.5278 -6.5278 -6.4384 -6.4384 -0.0652 -0.0652 0.6437 0.6437 0.7159 0.7159 0.8323 0.8323 1.4003 1.4003 1.4353 1.4353 1.7708 1.7708 1.7757 1.7757 2.5644 2.5644 8.0152 8.0152 8.0474 8.0474 8.4324 8.4324 9.0443 9.0443 10.1640 10.1640 13.0189 13.0189 k = 0.4730 0.5000-0.0000 ( 5942 PWs) bands (ev): -63.3652 -63.3652 -35.4836 -35.4836 -34.5471 -34.5471 -34.4704 -34.4704 -23.0801 -23.0801 -17.4586 -17.4586 -16.7155 -16.7155 -16.7112 -16.7112 -6.7616 -6.7616 -6.5282 -6.5282 -6.4383 -6.4383 -0.0693 -0.0693 0.6454 0.6454 0.7156 0.7156 0.8286 0.8286 1.3992 1.3992 1.4339 1.4339 1.7697 1.7697 1.7723 1.7723 2.5670 2.5670 8.0168 8.0168 8.0486 8.0486 8.4360 8.4360 9.0456 9.0456 10.1720 10.1720 13.0267 13.0267 k = 0.4865 0.5000-0.0000 ( 5944 PWs) bands (ev): -63.3653 -63.3653 -35.4837 -35.4837 -34.5471 -34.5471 -34.4704 -34.4704 -23.0800 -23.0800 -17.4585 -17.4585 -16.7154 -16.7154 -16.7111 -16.7111 -6.7618 -6.7618 -6.5284 -6.5284 -6.4382 -6.4382 -0.0717 -0.0717 0.6464 0.6464 0.7154 0.7154 0.8264 0.8264 1.3985 1.3985 1.4332 1.4332 1.7688 1.7688 1.7705 1.7705 2.5686 2.5686 8.0180 8.0180 8.0497 8.0497 8.4369 8.4369 9.0460 9.0460 10.1773 10.1773 13.0314 13.0314 k = 0.5000 0.5000-0.0000 ( 5944 PWs) bands (ev): -63.3653 -63.3653 -35.4837 -35.4837 -34.5472 -34.5472 -34.4704 -34.4704 -23.0800 -23.0800 -17.4584 -17.4584 -16.7153 -16.7153 -16.7110 -16.7110 -6.7618 -6.7618 -6.5285 -6.5285 -6.4382 -6.4382 -0.0727 -0.0727 0.6468 0.6468 0.7154 0.7154 0.8257 0.8257 1.3982 1.3982 1.4330 1.4330 1.7685 1.7685 1.7701 1.7701 2.5692 2.5692 8.0194 8.0194 8.0510 8.0510 8.4385 8.4385 9.0428 9.0428 10.1794 10.1794 13.0329 13.0329 k = 0.5000 0.5000-0.0000 ( 5944 PWs) bands (ev): -63.3653 -63.3653 -35.4837 -35.4837 -34.5472 -34.5472 -34.4704 -34.4704 -23.0800 -23.0800 -17.4584 -17.4584 -16.7153 -16.7153 -16.7110 -16.7110 -6.7618 -6.7618 -6.5285 -6.5285 -6.4382 -6.4382 -0.0727 -0.0727 0.6468 0.6468 0.7154 0.7154 0.8257 0.8257 1.3982 1.3982 1.4330 1.4330 1.7685 1.7685 1.7701 1.7701 2.5692 2.5692 8.0194 8.0194 8.0510 8.0510 8.4385 8.4385 9.0428 9.0428 10.1794 10.1794 13.0329 13.0329 k = 0.4906 0.4906-0.0000 ( 5944 PWs) bands (ev): -63.3653 -63.3653 -35.4837 -35.4837 -34.5472 -34.5472 -34.4704 -34.4704 -23.0800 -23.0800 -17.4584 -17.4584 -16.7154 -16.7154 -16.7111 -16.7111 -6.7618 -6.7618 -6.5284 -6.5284 -6.4382 -6.4382 -0.0718 -0.0718 0.6464 0.6464 0.7154 0.7154 0.8264 0.8264 1.3985 1.3985 1.4332 1.4332 1.7689 1.7689 1.7705 1.7705 2.5686 2.5686 8.0185 8.0185 8.0501 8.0501 8.4374 8.4374 9.0443 9.0443 10.1775 10.1775 13.0314 13.0314 k = 0.4811 0.4811-0.0000 ( 5942 PWs) bands (ev): -63.3652 -63.3652 -35.4836 -35.4836 -34.5471 -34.5471 -34.4704 -34.4704 -23.0801 -23.0801 -17.4586 -17.4586 -16.7155 -16.7155 -16.7112 -16.7112 -6.7616 -6.7616 -6.5282 -6.5282 -6.4383 -6.4383 -0.0694 -0.0694 0.6454 0.6454 0.7156 0.7156 0.8286 0.8286 1.3992 1.3992 1.4339 1.4339 1.7701 1.7701 1.7719 1.7719 2.5671 2.5671 8.0174 8.0174 8.0490 8.0490 8.4357 8.4357 9.0440 9.0440 10.1733 10.1733 13.0264 13.0264 k = 0.4717 0.4717-0.0000 ( 5952 PWs) bands (ev): -63.3658 -63.3658 -35.4837 -35.4837 -34.5472 -34.5472 -34.4705 -34.4705 -23.0801 -23.0801 -17.4589 -17.4589 -16.7158 -16.7158 -16.7114 -16.7114 -6.7614 -6.7614 -6.5278 -6.5278 -6.4384 -6.4384 -0.0654 -0.0654 0.6437 0.6437 0.7157 0.7157 0.8321 0.8321 1.4004 1.4004 1.4350 1.4350 1.7720 1.7720 1.7743 1.7743 2.5645 2.5645 8.0138 8.0138 8.0455 8.0455 8.4310 8.4310 9.0433 9.0433 10.1622 10.1622 13.0173 13.0173 k = 0.4623 0.4623-0.0000 ( 5948 PWs) bands (ev): -63.3656 -63.3656 -35.4836 -35.4836 -34.5471 -34.5471 -34.4704 -34.4704 -23.0802 -23.0802 -17.4593 -17.4593 -16.7164 -16.7164 -16.7116 -16.7116 -6.7611 -6.7611 -6.5274 -6.5274 -6.4385 -6.4385 -0.0599 -0.0599 0.6414 0.6414 0.7161 0.7161 0.8372 0.8372 1.4020 1.4020 1.4367 1.4367 1.7745 1.7745 1.7779 1.7779 2.5610 2.5610 8.0126 8.0126 8.0443 8.0443 8.4247 8.4247 9.0411 9.0411 10.1524 10.1524 13.0027 13.0027 k = 0.4528 0.4528-0.0000 ( 5934 PWs) bands (ev): -63.3647 -63.3647 -35.4835 -35.4835 -34.5470 -34.5470 -34.4701 -34.4701 -23.0803 -23.0803 -17.4599 -17.4599 -16.7172 -16.7172 -16.7117 -16.7117 -6.7606 -6.7606 -6.5267 -6.5267 -6.4387 -6.4387 -0.0529 -0.0529 0.6385 0.6385 0.7166 0.7166 0.8439 0.8439 1.4040 1.4040 1.4389 1.4389 1.7775 1.7775 1.7826 1.7826 2.5564 2.5564 8.0111 8.0111 8.0426 8.0426 8.4226 8.4226 9.0400 9.0400 10.1386 10.1386 12.9810 12.9810 k = 0.4434 0.4434-0.0000 ( 5938 PWs) bands (ev): -63.3650 -63.3650 -35.4835 -35.4835 -34.5470 -34.5470 -34.4701 -34.4701 -23.0805 -23.0805 -17.4605 -17.4605 -16.7182 -16.7182 -16.7117 -16.7117 -6.7602 -6.7602 -6.5260 -6.5260 -6.4389 -6.4389 -0.0445 -0.0445 0.6349 0.6349 0.7171 0.7171 0.8519 0.8519 1.4063 1.4063 1.4418 1.4418 1.7813 1.7813 1.7883 1.7883 2.5509 2.5509 8.0066 8.0066 8.0382 8.0382 8.4131 8.4131 9.0370 9.0370 10.1209 10.1209 12.9501 12.9501 k = 0.4340 0.4340-0.0000 ( 5942 PWs) bands (ev): -63.3652 -63.3652 -35.4835 -35.4835 -34.5470 -34.5470 -34.4701 -34.4701 -23.0807 -23.0807 -17.4613 -17.4613 -16.7196 -16.7196 -16.7116 -16.7116 -6.7596 -6.7596 -6.5251 -6.5251 -6.4391 -6.4391 -0.0346 -0.0346 0.6308 0.6308 0.7174 0.7174 0.8615 0.8615 1.4090 1.4090 1.4455 1.4455 1.7856 1.7856 1.7948 1.7948 2.5445 2.5445 8.0008 8.0008 8.0323 8.0323 8.4049 8.4049 9.0341 9.0341 10.0984 10.0984 12.9082 12.9082 k = 0.4245 0.4245-0.0000 ( 5934 PWs) bands (ev): -63.3647 -63.3647 -35.4833 -35.4833 -34.5469 -34.5469 -34.4699 -34.4699 -23.0809 -23.0809 -17.4621 -17.4621 -16.7212 -16.7212 -16.7114 -16.7114 -6.7590 -6.7590 -6.5242 -6.5242 -6.4394 -6.4394 -0.0234 -0.0234 0.6262 0.6262 0.7179 0.7179 0.8727 0.8727 1.4120 1.4120 1.4499 1.4499 1.7906 1.7906 1.8022 1.8022 2.5373 2.5373 7.9965 7.9965 8.0280 8.0280 8.3976 8.3976 9.0312 9.0312 10.0738 10.0738 12.8542 12.8542 k = 0.4151 0.4151-0.0000 ( 5938 PWs) bands (ev): -63.3650 -63.3650 -35.4833 -35.4833 -34.5469 -34.5469 -34.4699 -34.4699 -23.0811 -23.0811 -17.4631 -17.4631 -16.7231 -16.7231 -16.7112 -16.7112 -6.7583 -6.7583 -6.5231 -6.5231 -6.4397 -6.4397 -0.0109 -0.0109 0.6211 0.6211 0.7182 0.7182 0.8854 0.8854 1.4153 1.4153 1.4552 1.4552 1.7961 1.7961 1.8105 1.8105 2.5291 2.5291 7.9900 7.9900 8.0216 8.0216 8.3870 8.3870 9.0266 9.0266 10.0445 10.0445 12.7884 12.7884 k = 0.4057 0.4057-0.0000 ( 5934 PWs) bands (ev): -63.3648 -63.3648 -35.4832 -35.4832 -34.5468 -34.5468 -34.4697 -34.4697 -23.0814 -23.0814 -17.4641 -17.4641 -16.7252 -16.7252 -16.7108 -16.7108 -6.7575 -6.7575 -6.5219 -6.5219 -6.4401 -6.4401 0.0027 0.0027 0.6155 0.6155 0.7186 0.7186 0.8997 0.8997 1.4189 1.4189 1.4613 1.4613 1.8023 1.8023 1.8196 1.8196 2.5203 2.5203 7.9837 7.9837 8.0152 8.0152 8.3757 8.3757 9.0224 9.0224 10.0151 10.0151 12.7120 12.7120 k = 0.3962 0.3962-0.0000 ( 5942 PWs) bands (ev): -63.3653 -63.3653 -35.4832 -35.4832 -34.5468 -34.5468 -34.4697 -34.4697 -23.0817 -23.0817 -17.4652 -17.4652 -16.7275 -16.7275 -16.7105 -16.7105 -6.7568 -6.7568 -6.5207 -6.5207 -6.4405 -6.4405 0.0175 0.0175 0.6096 0.6096 0.7188 0.7188 0.9155 0.9155 1.4228 1.4228 1.4683 1.4683 1.8090 1.8090 1.8293 1.8293 2.5106 2.5106 7.9750 7.9750 8.0065 8.0065 8.3618 8.3618 9.0167 9.0167 9.9810 9.9810 12.6267 12.6267 k = 0.3868 0.3868-0.0000 ( 5948 PWs) bands (ev): -63.3657 -63.3657 -35.4832 -35.4832 -34.5468 -34.5468 -34.4696 -34.4696 -23.0820 -23.0820 -17.4665 -17.4665 -16.7300 -16.7300 -16.7101 -16.7101 -6.7560 -6.7560 -6.5194 -6.5194 -6.4409 -6.4409 0.0333 0.0333 0.6033 0.6033 0.7189 0.7189 0.9330 0.9330 1.4272 1.4272 1.4761 1.4761 1.8163 1.8163 1.8397 1.8397 2.5004 2.5004 7.9659 7.9659 7.9974 7.9974 8.3475 8.3475 9.0109 9.0109 9.9439 9.9439 12.5345 12.5345 k = 0.3774 0.3774-0.0000 ( 5942 PWs) bands (ev): -63.3654 -63.3654 -35.4831 -35.4831 -34.5467 -34.5467 -34.4694 -34.4694 -23.0823 -23.0823 -17.4677 -17.4677 -16.7327 -16.7327 -16.7096 -16.7096 -6.7551 -6.7551 -6.5180 -6.5180 -6.4413 -6.4413 0.0499 0.0499 0.5968 0.5968 0.7191 0.7191 0.9522 0.9522 1.4320 1.4320 1.4848 1.4848 1.8242 1.8242 1.8507 1.8507 2.4895 2.4895 7.9573 7.9573 7.9887 7.9887 8.3339 8.3339 9.0058 9.0058 9.9082 9.9082 12.4368 12.4368 k = 0.3679 0.3679-0.0000 ( 5940 PWs) bands (ev): -63.3652 -63.3652 -35.4830 -35.4830 -34.5466 -34.5466 -34.4692 -34.4692 -23.0827 -23.0827 -17.4691 -17.4691 -16.7356 -16.7356 -16.7091 -16.7091 -6.7543 -6.7543 -6.5167 -6.5167 -6.4418 -6.4418 0.0674 0.0674 0.5900 0.5900 0.7192 0.7192 0.9730 0.9730 1.4374 1.4374 1.4942 1.4942 1.8326 1.8326 1.8622 1.8622 2.4781 2.4781 7.9486 7.9486 7.9800 7.9800 8.3178 8.3178 8.9992 8.9992 9.8689 9.8689 12.3351 12.3351 k = 0.3585 0.3585-0.0000 ( 5944 PWs) bands (ev): -63.3655 -63.3655 -35.4829 -35.4829 -34.5466 -34.5466 -34.4690 -34.4690 -23.0831 -23.0831 -17.4705 -17.4705 -16.7386 -16.7386 -16.7086 -16.7086 -6.7535 -6.7535 -6.5153 -6.5153 -6.4423 -6.4423 0.0856 0.0856 0.5829 0.5829 0.7191 0.7191 0.9955 0.9955 1.4433 1.4433 1.5045 1.5045 1.8415 1.8415 1.8742 1.8742 2.4662 2.4662 7.9375 7.9375 7.9690 7.9690 8.3006 8.3006 8.9916 8.9916 9.8281 9.8281 12.2304 12.2304 k = 0.3491 0.3491-0.0000 ( 5944 PWs) bands (ev): -63.3655 -63.3655 -35.4829 -35.4829 -34.5465 -34.5465 -34.4688 -34.4688 -23.0835 -23.0835 -17.4720 -17.4720 -16.7418 -16.7418 -16.7080 -16.7080 -6.7527 -6.7527 -6.5138 -6.5138 -6.4428 -6.4428 0.1043 0.1043 0.5758 0.5758 0.7188 0.7188 1.0197 1.0197 1.4500 1.4500 1.5154 1.5154 1.8508 1.8508 1.8866 1.8866 2.4540 2.4540 7.9263 7.9263 7.9581 7.9581 8.2834 8.2834 8.9842 8.9842 9.7857 9.7857 12.1235 12.1235 k = 0.3396 0.3396-0.0000 ( 5944 PWs) bands (ev): -63.3655 -63.3655 -35.4828 -35.4828 -34.5465 -34.5465 -34.4686 -34.4686 -23.0839 -23.0839 -17.4735 -17.4735 -16.7452 -16.7452 -16.7075 -16.7075 -6.7519 -6.7519 -6.5124 -6.5124 -6.4434 -6.4434 0.1236 0.1236 0.5685 0.5685 0.7183 0.7183 1.0455 1.0455 1.4573 1.4573 1.5271 1.5271 1.8606 1.8606 1.8993 1.8993 2.4414 2.4414 7.9151 7.9151 7.9467 7.9467 8.2650 8.2650 8.9762 8.9762 9.7416 9.7416 12.0151 12.0151 k = 0.3302 0.3302-0.0000 ( 5944 PWs) bands (ev): -63.3655 -63.3655 -35.4827 -35.4827 -34.5464 -34.5464 -34.4684 -34.4684 -23.0844 -23.0844 -17.4751 -17.4751 -16.7486 -16.7486 -16.7068 -16.7068 -6.7511 -6.7511 -6.5111 -6.5111 -6.4440 -6.4440 0.1432 0.1432 0.5611 0.5611 0.7178 0.7178 1.0731 1.0731 1.4654 1.4654 1.5394 1.5394 1.8708 1.8708 1.9123 1.9123 2.4286 2.4286 7.9036 7.9036 7.9352 7.9352 8.2436 8.2436 8.9676 8.9676 9.6977 9.6977 11.9059 11.9059 k = 0.3208 0.3208-0.0000 ( 5936 PWs) bands (ev): -63.3650 -63.3650 -35.4825 -35.4825 -34.5463 -34.5463 -34.4681 -34.4681 -23.0848 -23.0848 -17.4767 -17.4767 -16.7522 -16.7522 -16.7062 -16.7062 -6.7504 -6.7504 -6.5097 -6.5097 -6.4446 -6.4446 0.1632 0.1632 0.5537 0.5537 0.7170 0.7170 1.1023 1.1023 1.4742 1.4742 1.5523 1.5523 1.8815 1.8815 1.9256 1.9256 2.4157 2.4157 7.8927 7.8927 7.9241 7.9241 8.2252 8.2252 8.9587 8.9587 9.6520 9.6520 11.7961 11.7961 k = 0.3113 0.3113-0.0000 ( 5944 PWs) bands (ev): -63.3656 -63.3656 -35.4825 -35.4825 -34.5463 -34.5463 -34.4680 -34.4680 -23.0853 -23.0853 -17.4784 -17.4784 -16.7558 -16.7558 -16.7056 -16.7056 -6.7497 -6.7497 -6.5084 -6.5084 -6.4452 -6.4452 0.1833 0.1833 0.5462 0.5462 0.7158 0.7158 1.1332 1.1332 1.4838 1.4838 1.5657 1.5657 1.8924 1.8924 1.9390 1.9390 2.4026 2.4026 7.8791 7.8791 7.9100 7.9100 8.2040 8.2040 8.9487 8.9487 9.6022 9.6022 11.6861 11.6861 k = 0.3019 0.3019-0.0000 ( 5948 PWs) bands (ev): -63.3658 -63.3658 -35.4824 -35.4824 -34.5462 -34.5462 -34.4678 -34.4678 -23.0858 -23.0858 -17.4800 -17.4800 -16.7596 -16.7596 -16.7049 -16.7049 -6.7490 -6.7490 -6.5071 -6.5071 -6.4459 -6.4459 0.2036 0.2036 0.5388 0.5388 0.7146 0.7146 1.1657 1.1657 1.4943 1.4943 1.5796 1.5796 1.9036 1.9036 1.9525 1.9525 2.3896 2.3896 7.8656 7.8656 7.8965 7.8965 8.1806 8.1806 8.9386 8.9386 9.5541 9.5541 11.5765 11.5765 k = 0.2925 0.2925-0.0000 ( 5948 PWs) bands (ev): -63.3659 -63.3659 -35.4823 -35.4823 -34.5462 -34.5462 -34.4675 -34.4675 -23.0863 -23.0863 -17.4817 -17.4817 -16.7634 -16.7634 -16.7042 -16.7042 -6.7484 -6.7484 -6.5060 -6.5060 -6.4465 -6.4465 0.2239 0.2239 0.5315 0.5315 0.7132 0.7132 1.1997 1.1997 1.5056 1.5056 1.5939 1.5939 1.9152 1.9152 1.9661 1.9661 2.3767 2.3767 7.8522 7.8522 7.8829 7.8829 8.1584 8.1584 8.9264 8.9264 9.5070 9.5070 11.4673 11.4673 k = 0.2830 0.2830-0.0000 ( 5952 PWs) bands (ev): -63.3661 -63.3661 -35.4822 -35.4822 -34.5461 -34.5461 -34.4674 -34.4674 -23.0869 -23.0869 -17.4834 -17.4834 -16.7673 -16.7673 -16.7035 -16.7035 -6.7479 -6.7479 -6.5048 -6.5048 -6.4472 -6.4472 0.2441 0.2441 0.5242 0.5242 0.7115 0.7115 1.2352 1.2352 1.5177 1.5177 1.6086 1.6086 1.9270 1.9270 1.9796 1.9796 2.3639 2.3639 7.8391 7.8391 7.8697 7.8697 8.1337 8.1337 8.9146 8.9146 9.4566 9.4566 11.3590 11.3590 k = 0.2736 0.2736-0.0000 ( 5948 PWs) bands (ev): -63.3659 -63.3659 -35.4821 -35.4821 -34.5460 -34.5460 -34.4671 -34.4671 -23.0874 -23.0874 -17.4851 -17.4851 -16.7712 -16.7712 -16.7028 -16.7028 -6.7474 -6.7474 -6.5038 -6.5038 -6.4480 -6.4480 0.2643 0.2643 0.5171 0.5171 0.7096 0.7096 1.2721 1.2721 1.5306 1.5306 1.6236 1.6236 1.9390 1.9390 1.9932 1.9932 2.3514 2.3514 7.8260 7.8260 7.8566 7.8566 8.1101 8.1101 8.9041 8.9041 9.4072 9.4072 11.2517 11.2517 k = 0.2642 0.2642-0.0000 ( 5948 PWs) bands (ev): -63.3659 -63.3659 -35.4819 -35.4819 -34.5459 -34.5459 -34.4669 -34.4669 -23.0879 -23.0879 -17.4867 -17.4867 -16.7751 -16.7751 -16.7020 -16.7020 -6.7470 -6.7470 -6.5029 -6.5029 -6.4487 -6.4487 0.2844 0.2844 0.5101 0.5101 0.7075 0.7075 1.3103 1.3103 1.5443 1.5443 1.6388 1.6388 1.9512 1.9512 2.0066 2.0066 2.3392 2.3392 7.8118 7.8118 7.8422 7.8422 8.0862 8.0862 8.8926 8.8926 9.3577 9.3577 11.1456 11.1456 k = 0.2547 0.2547-0.0000 ( 5946 PWs) bands (ev): -63.3658 -63.3658 -35.4818 -35.4818 -34.5458 -34.5458 -34.4667 -34.4667 -23.0885 -23.0885 -17.4884 -17.4884 -16.7791 -16.7791 -16.7013 -16.7013 -6.7466 -6.7466 -6.5020 -6.5020 -6.4495 -6.4495 0.3042 0.3042 0.5032 0.5032 0.7051 0.7051 1.3496 1.3496 1.5589 1.5589 1.6542 1.6542 1.9635 1.9635 2.0200 2.0200 2.3274 2.3274 7.7986 7.7986 7.8290 7.8290 8.0635 8.0635 8.8799 8.8799 9.3055 9.3055 11.0411 11.0411 k = 0.2453 0.2453-0.0000 ( 5948 PWs) bands (ev): -63.3659 -63.3659 -35.4817 -35.4817 -34.5457 -34.5457 -34.4665 -34.4665 -23.0891 -23.0891 -17.4900 -17.4900 -16.7830 -16.7830 -16.7006 -16.7006 -6.7463 -6.7463 -6.5013 -6.5013 -6.4504 -6.4504 0.3238 0.3238 0.4965 0.4965 0.7026 0.7026 1.3897 1.3897 1.5743 1.5743 1.6696 1.6696 1.9759 1.9759 2.0331 2.0331 2.3161 2.3161 7.7840 7.7840 7.8143 7.8143 8.0386 8.0386 8.8670 8.8670 9.2555 9.2555 10.9382 10.9382 k = 0.2358 0.2358-0.0000 ( 5952 PWs) bands (ev): -63.3662 -63.3662 -35.4816 -35.4816 -34.5457 -34.5457 -34.4662 -34.4662 -23.0896 -23.0896 -17.4917 -17.4917 -16.7870 -16.7870 -16.6999 -16.6999 -6.7461 -6.7461 -6.5006 -6.5006 -6.4512 -6.4512 0.3431 0.3431 0.4900 0.4900 0.6999 0.6999 1.4306 1.4306 1.5905 1.5905 1.6850 1.6850 1.9884 1.9884 2.0460 2.0460 2.3054 2.3054 7.7692 7.7692 7.7993 7.7993 8.0137 8.0137 8.8518 8.8518 9.2065 9.2065 10.8373 10.8373 k = 0.2264 0.2264-0.0000 ( 5958 PWs) bands (ev): -63.3666 -63.3666 -35.4816 -35.4816 -34.5456 -34.5456 -34.4661 -34.4661 -23.0902 -23.0902 -17.4933 -17.4933 -16.7909 -16.7909 -16.6991 -16.6991 -6.7460 -6.7460 -6.5000 -6.5000 -6.4521 -6.4521 0.3621 0.3621 0.4837 0.4837 0.6970 0.6970 1.4717 1.4717 1.6078 1.6078 1.7002 1.7002 2.0009 2.0009 2.0587 2.0587 2.2953 2.2953 7.7547 7.7547 7.7846 7.7846 7.9868 7.9868 8.8370 8.8370 9.1572 9.1572 10.7384 10.7384 k = 0.2170 0.2170-0.0000 ( 5966 PWs) bands (ev): -63.3671 -63.3671 -35.4815 -35.4815 -34.5456 -34.5456 -34.4660 -34.4660 -23.0908 -23.0908 -17.4948 -17.4948 -16.7947 -16.7947 -16.6984 -16.6984 -6.7459 -6.7459 -6.4995 -6.4995 -6.4530 -6.4530 0.3807 0.3807 0.4776 0.4776 0.6939 0.6939 1.5127 1.5127 1.6264 1.6264 1.7153 1.7153 2.0133 2.0133 2.0711 2.0711 2.2858 2.2858 7.7402 7.7402 7.7700 7.7700 7.9615 7.9615 8.8214 8.8214 9.1056 9.1056 10.6419 10.6419 k = 0.2075 0.2075-0.0000 ( 5962 PWs) bands (ev): -63.3669 -63.3669 -35.4814 -35.4814 -34.5455 -34.5455 -34.4657 -34.4657 -23.0913 -23.0913 -17.4963 -17.4963 -16.7985 -16.7985 -16.6977 -16.6977 -6.7459 -6.7459 -6.4992 -6.4992 -6.4539 -6.4539 0.3990 0.3990 0.4718 0.4718 0.6907 0.6907 1.5526 1.5526 1.6469 1.6469 1.7301 1.7301 2.0256 2.0256 2.0831 2.0831 2.2772 2.2772 7.7259 7.7259 7.7555 7.7555 7.9378 7.9378 8.8066 8.8066 9.0605 9.0605 10.5480 10.5480 k = 0.1981 0.1981-0.0000 ( 5964 PWs) bands (ev): -63.3670 -63.3670 -35.4813 -35.4813 -34.5455 -34.5455 -34.4655 -34.4655 -23.0919 -23.0919 -17.4978 -17.4978 -16.8023 -16.8023 -16.6970 -16.6970 -6.7460 -6.7460 -6.4989 -6.4989 -6.4549 -6.4549 0.4169 0.4169 0.4662 0.4662 0.6874 0.6874 1.5901 1.5901 1.6703 1.6703 1.7445 1.7445 2.0378 2.0378 2.0948 2.0948 2.2694 2.2694 7.7117 7.7117 7.7411 7.7411 7.9131 7.9131 8.7912 8.7912 9.0133 9.0133 10.4568 10.4568 k = 0.1887 0.1887-0.0000 ( 5966 PWs) bands (ev): -63.3671 -63.3671 -35.4812 -35.4812 -34.5454 -34.5454 -34.4653 -34.4653 -23.0925 -23.0925 -17.4993 -17.4993 -16.8059 -16.8059 -16.6963 -16.6963 -6.7461 -6.7461 -6.4986 -6.4986 -6.4558 -6.4558 0.4344 0.4344 0.4609 0.4609 0.6840 0.6840 1.6235 1.6235 1.6980 1.6980 1.7586 1.7586 2.0499 2.0499 2.1061 2.1061 2.2625 2.2625 7.6980 7.6980 7.7271 7.7271 7.8877 7.8877 8.7753 8.7753 8.9682 8.9682 10.3686 10.3686 k = 0.1792 0.1792-0.0000 ( 5972 PWs) bands (ev): -63.3675 -63.3675 -35.4812 -35.4812 -34.5454 -34.5454 -34.4652 -34.4652 -23.0930 -23.0930 -17.5006 -17.5006 -16.8095 -16.8095 -16.6956 -16.6956 -6.7462 -6.7462 -6.4985 -6.4985 -6.4568 -6.4568 0.4509 0.4509 0.4562 0.4562 0.6805 0.6805 1.6518 1.6518 1.7304 1.7304 1.7723 1.7723 2.0617 2.0617 2.1170 2.1170 2.2565 2.2565 7.6838 7.6838 7.7126 7.7126 7.8615 7.8615 8.7587 8.7587 8.9245 8.9245 10.2836 10.2836 k = 0.1698 0.1698-0.0000 ( 5974 PWs) bands (ev): -63.3677 -63.3677 -35.4811 -35.4811 -34.5453 -34.5453 -34.4650 -34.4650 -23.0935 -23.0935 -17.5020 -17.5020 -16.8129 -16.8129 -16.6950 -16.6950 -6.7464 -6.7464 -6.4984 -6.4984 -6.4577 -6.4577 0.4506 0.4506 0.4682 0.4682 0.6769 0.6769 1.6756 1.6756 1.7656 1.7656 1.7868 1.7868 2.0732 2.0732 2.1274 2.1274 2.2515 2.2515 7.6699 7.6699 7.6985 7.6985 7.8384 7.8384 8.7427 8.7427 8.8811 8.8811 10.2019 10.2019 k = 0.1604 0.1604-0.0000 ( 5970 PWs) bands (ev): -63.3674 -63.3674 -35.4810 -35.4810 -34.5452 -34.5452 -34.4647 -34.4647 -23.0941 -23.0941 -17.5032 -17.5032 -16.8163 -16.8163 -16.6943 -16.6943 -6.7467 -6.7467 -6.4984 -6.4984 -6.4587 -6.4587 0.4461 0.4461 0.4841 0.4841 0.6734 0.6734 1.6964 1.6964 1.7916 1.7916 1.8121 1.8121 2.0844 2.0844 2.1373 2.1373 2.2475 2.2475 7.6563 7.6563 7.6846 7.6846 7.8171 7.8171 8.7270 8.7270 8.8415 8.8415 10.1239 10.1239 k = 0.1509 0.1509-0.0000 ( 5974 PWs) bands (ev): -63.3677 -63.3677 -35.4809 -35.4809 -34.5452 -34.5452 -34.4645 -34.4645 -23.0946 -23.0946 -17.5045 -17.5045 -16.8195 -16.8195 -16.6937 -16.6937 -6.7470 -6.7470 -6.4985 -6.4985 -6.4596 -6.4596 0.4417 0.4417 0.4995 0.4995 0.6698 0.6698 1.7154 1.7154 1.8048 1.8048 1.8501 1.8501 2.0953 2.0953 2.1467 2.1467 2.2445 2.2445 7.6436 7.6436 7.6714 7.6714 7.7935 7.7935 8.7098 8.7098 8.8014 8.8014 10.0496 10.0496 k = 0.1415 0.1415-0.0000 ( 5982 PWs) bands (ev): -63.3682 -63.3682 -35.4809 -35.4809 -34.5453 -34.5453 -34.4644 -34.4644 -23.0950 -23.0950 -17.5056 -17.5056 -16.8225 -16.8225 -16.6931 -16.6931 -6.7473 -6.7473 -6.4986 -6.4986 -6.4606 -6.4606 0.4376 0.4376 0.5144 0.5144 0.6663 0.6663 1.7330 1.7330 1.8154 1.8154 1.8897 1.8897 2.1058 2.1058 2.1557 2.1557 2.2425 2.2425 7.6305 7.6305 7.6580 7.6580 7.7719 7.7719 8.6907 8.6907 8.7621 8.7621 9.9793 9.9793 k = 0.1321 0.1321-0.0000 ( 5982 PWs) bands (ev): -63.3682 -63.3682 -35.4808 -35.4808 -34.5452 -34.5452 -34.4642 -34.4642 -23.0955 -23.0955 -17.5067 -17.5067 -16.8254 -16.8254 -16.6925 -16.6925 -6.7477 -6.7477 -6.4988 -6.4988 -6.4614 -6.4614 0.4338 0.4338 0.5286 0.5286 0.6628 0.6628 1.7497 1.7497 1.8249 1.8249 1.9288 1.9288 2.1158 2.1158 2.1641 2.1641 2.2414 2.2414 7.6190 7.6190 7.6461 7.6461 7.7513 7.7513 8.6735 8.6735 8.7259 8.7259 9.9131 9.9131 k = 0.1226 0.1226-0.0000 ( 5980 PWs) bands (ev): -63.3681 -63.3681 -35.4807 -35.4807 -34.5451 -34.5451 -34.4641 -34.4641 -23.0960 -23.0960 -17.5077 -17.5077 -16.8282 -16.8282 -16.6920 -16.6920 -6.7481 -6.7481 -6.4990 -6.4990 -6.4623 -6.4623 0.4303 0.4303 0.5421 0.5421 0.6595 0.6595 1.7654 1.7654 1.8334 1.8334 1.9669 1.9669 2.1254 2.1254 2.1720 2.1720 2.2412 2.2412 7.6081 7.6081 7.6347 7.6347 7.7314 7.7314 8.6584 8.6584 8.6917 8.6917 9.8513 9.8513 k = 0.1132 0.1132-0.0000 ( 5987 PWs) bands (ev): -63.3685 -63.3685 -35.4807 -35.4807 -34.5451 -34.5451 -34.4640 -34.4640 -23.0964 -23.0964 -17.5087 -17.5087 -16.8308 -16.8308 -16.6915 -16.6915 -6.7485 -6.7485 -6.4993 -6.4993 -6.4631 -6.4631 0.4270 0.4270 0.5548 0.5548 0.6562 0.6562 1.7803 1.7803 1.8409 1.8409 2.0035 2.0035 2.1344 2.1344 2.1795 2.1795 2.2418 2.2418 7.5972 7.5972 7.6232 7.6232 7.7121 7.7121 8.6408 8.6408 8.6575 8.6575 9.7938 9.7938 k = 0.1038 0.1038-0.0000 ( 5979 PWs) bands (ev): -63.3680 -63.3680 -35.4805 -35.4805 -34.5450 -34.5450 -34.4637 -34.4637 -23.0968 -23.0968 -17.5096 -17.5096 -16.8332 -16.8332 -16.6910 -16.6910 -6.7489 -6.7489 -6.4995 -6.4995 -6.4639 -6.4639 0.4240 0.4240 0.5667 0.5667 0.6532 0.6532 1.7942 1.7942 1.8475 1.8475 2.0381 2.0381 2.1429 2.1429 2.1865 2.1865 2.2431 2.2431 7.5883 7.5883 7.6137 7.6137 7.6968 7.6968 8.6247 8.6247 8.6283 8.6283 9.7410 9.7410 k = 0.0943 0.0943-0.0000 ( 5983 PWs) bands (ev): -63.3682 -63.3682 -35.4805 -35.4805 -34.5450 -34.5450 -34.4636 -34.4636 -23.0971 -23.0971 -17.5104 -17.5104 -16.8354 -16.8354 -16.6906 -16.6906 -6.7492 -6.7492 -6.4998 -6.4998 -6.4646 -6.4646 0.4212 0.4212 0.5778 0.5778 0.6503 0.6503 1.8071 1.8071 1.8533 1.8533 2.0703 2.0703 2.1507 2.1507 2.1933 2.1933 2.2449 2.2449 7.5785 7.5785 7.6032 7.6032 7.6801 7.6801 8.6005 8.6005 8.6083 8.6083 9.6927 9.6927 k = 0.0849 0.0849-0.0000 ( 5985 PWs) bands (ev): -63.3684 -63.3684 -35.4805 -35.4805 -34.5449 -34.5449 -34.4635 -34.4635 -23.0975 -23.0975 -17.5111 -17.5111 -16.8374 -16.8374 -16.6902 -16.6902 -6.7496 -6.7496 -6.5001 -6.5001 -6.4653 -6.4653 0.4187 0.4187 0.5879 0.5879 0.6476 0.6476 1.8189 1.8189 1.8584 1.8584 2.0997 2.0997 2.1580 2.1580 2.2000 2.2000 2.2472 2.2472 7.5701 7.5701 7.5941 7.5941 7.6652 7.6652 8.5745 8.5745 8.5925 8.5925 9.6491 9.6491 k = 0.0755 0.0755-0.0000 ( 5985 PWs) bands (ev): -63.3684 -63.3684 -35.4804 -35.4804 -34.5449 -34.5449 -34.4634 -34.4634 -23.0978 -23.0978 -17.5118 -17.5118 -16.8393 -16.8393 -16.6898 -16.6898 -6.7500 -6.7500 -6.5004 -6.5004 -6.4659 -6.4659 0.4165 0.4165 0.5971 0.5971 0.6452 0.6452 1.8297 1.8297 1.8628 1.8628 2.1257 2.1257 2.1645 2.1645 2.2070 2.2070 2.2496 2.2496 7.5623 7.5623 7.5855 7.5855 7.6522 7.6522 8.5515 8.5515 8.5779 8.5779 9.6102 9.6102 k = 0.0660 0.0660-0.0000 ( 5987 PWs) bands (ev): -63.3685 -63.3685 -35.4804 -35.4804 -34.5449 -34.5449 -34.4634 -34.4634 -23.0981 -23.0981 -17.5123 -17.5123 -16.8409 -16.8409 -16.6895 -16.6895 -6.7503 -6.7503 -6.5007 -6.5007 -6.4664 -6.4664 0.4146 0.4146 0.6052 0.6052 0.6432 0.6432 1.8392 1.8392 1.8665 1.8665 2.1479 2.1479 2.1704 2.1704 2.2145 2.2145 2.2522 2.2522 7.5556 7.5556 7.5779 7.5779 7.6402 7.6402 8.5300 8.5300 8.5638 8.5638 9.5760 9.5760 k = 0.0566 0.0566-0.0000 ( 5989 PWs) bands (ev): -63.3687 -63.3687 -35.4804 -35.4804 -34.5449 -34.5449 -34.4633 -34.4633 -23.0983 -23.0983 -17.5129 -17.5129 -16.8423 -16.8423 -16.6892 -16.6892 -6.7506 -6.7506 -6.5010 -6.5010 -6.4669 -6.4669 0.4129 0.4129 0.6122 0.6122 0.6415 0.6415 1.8475 1.8475 1.8698 1.8698 2.1654 2.1654 2.1757 2.1757 2.2229 2.2229 2.2548 2.2548 7.5498 7.5498 7.5710 7.5710 7.6292 7.6292 8.5120 8.5120 8.5511 8.5511 9.5464 9.5464 k = 0.0472 0.0472-0.0000 ( 5989 PWs) bands (ev): -63.3687 -63.3687 -35.4803 -35.4803 -34.5448 -34.5448 -34.4633 -34.4633 -23.0985 -23.0985 -17.5133 -17.5133 -16.8435 -16.8435 -16.6890 -16.6890 -6.7509 -6.7509 -6.5012 -6.5012 -6.4673 -6.4673 0.4114 0.4114 0.6179 0.6179 0.6402 0.6402 1.8543 1.8543 1.8727 1.8727 2.1777 2.1777 2.1808 2.1808 2.2322 2.2322 2.2574 2.2574 7.5455 7.5455 7.5657 7.5657 7.6204 7.6204 8.4952 8.4952 8.5404 8.5404 9.5214 9.5214 k = 0.0377 0.0377-0.0000 ( 5995 PWs) bands (ev): -63.3691 -63.3691 -35.4803 -35.4803 -34.5449 -34.5449 -34.4633 -34.4633 -23.0987 -23.0987 -17.5136 -17.5136 -16.8445 -16.8445 -16.6888 -16.6888 -6.7511 -6.7511 -6.5014 -6.5014 -6.4676 -6.4676 0.4103 0.4103 0.6223 0.6223 0.6396 0.6396 1.8597 1.8597 1.8753 1.8753 2.1831 2.1831 2.1879 2.1879 2.2414 2.2414 2.2599 2.2599 7.5404 7.5404 7.5598 7.5598 7.6128 7.6128 8.4820 8.4820 8.5302 8.5302 9.5011 9.5011 k = 0.0283 0.0283-0.0000 ( 6003 PWs) bands (ev): -63.3696 -63.3696 -35.4804 -35.4804 -34.5449 -34.5449 -34.4633 -34.4633 -23.0988 -23.0988 -17.5139 -17.5139 -16.8453 -16.8453 -16.6886 -16.6886 -6.7513 -6.7513 -6.5016 -6.5016 -6.4678 -6.4678 0.4093 0.4093 0.6253 0.6253 0.6395 0.6395 1.8636 1.8636 1.8776 1.8776 2.1861 2.1861 2.1935 2.1935 2.2492 2.2492 2.2627 2.2627 7.5369 7.5369 7.5555 7.5555 7.6069 7.6069 8.4688 8.4688 8.5219 8.5219 9.4852 9.4852 k = 0.0189 0.0189-0.0000 ( 6007 PWs) bands (ev): -63.3698 -63.3698 -35.4804 -35.4804 -34.5449 -34.5449 -34.4634 -34.4634 -23.0989 -23.0989 -17.5141 -17.5141 -16.8459 -16.8459 -16.6885 -16.6885 -6.7514 -6.7514 -6.5017 -6.5017 -6.4680 -6.4680 0.4087 0.4087 0.6270 0.6270 0.6399 0.6399 1.8662 1.8662 1.8794 1.8794 2.1882 2.1882 2.1971 2.1971 2.2543 2.2543 2.2657 2.2657 7.5348 7.5348 7.5518 7.5518 7.6010 7.6010 8.4628 8.4628 8.5158 8.5158 9.4738 9.4738 k = 0.0094 0.0094-0.0000 ( 5997 PWs) bands (ev): -63.3692 -63.3692 -35.4803 -35.4803 -34.5448 -34.5448 -34.4632 -34.4632 -23.0990 -23.0990 -17.5142 -17.5142 -16.8462 -16.8462 -16.6885 -16.6885 -6.7515 -6.7515 -6.5018 -6.5018 -6.4681 -6.4681 0.4083 0.4083 0.6277 0.6277 0.6404 0.6404 1.8676 1.8676 1.8806 1.8806 2.1894 2.1894 2.1991 2.1991 2.2568 2.2568 2.2683 2.2683 7.5339 7.5339 7.5507 7.5507 7.5996 7.5996 8.4631 8.4631 8.5127 8.5127 9.4674 9.4674 k = 0.0000 0.0000 0.0000 ( 6001 PWs) bands (ev): -63.3695 -63.3695 -35.4803 -35.4803 -34.5449 -34.5449 -34.4632 -34.4632 -23.0990 -23.0990 -17.5143 -17.5143 -16.8463 -16.8463 -16.6884 -16.6884 -6.7516 -6.7516 -6.5018 -6.5018 -6.4682 -6.4682 0.4082 0.4082 0.6280 0.6280 0.6406 0.6406 1.8681 1.8681 1.8810 1.8810 2.1898 2.1898 2.1998 2.1998 2.2575 2.2575 2.2694 2.2694 7.5326 7.5326 7.5495 7.5495 7.5985 7.5985 8.4616 8.4616 8.5107 8.5107 9.4651 9.4651 k = 0.0000 0.0000 0.0000 ( 6001 PWs) bands (ev): -63.3695 -63.3695 -35.4803 -35.4803 -34.5449 -34.5449 -34.4632 -34.4632 -23.0990 -23.0990 -17.5143 -17.5143 -16.8463 -16.8463 -16.6884 -16.6884 -6.7516 -6.7516 -6.5018 -6.5018 -6.4682 -6.4682 0.4082 0.4082 0.6280 0.6280 0.6406 0.6406 1.8681 1.8681 1.8810 1.8810 2.1898 2.1898 2.1998 2.1998 2.2575 2.2575 2.2694 2.2694 7.5326 7.5326 7.5495 7.5495 7.5985 7.5985 8.4616 8.4616 8.5107 8.5107 9.4651 9.4651 k = 0.0000 0.0000 0.0133 ( 5993 PWs) bands (ev): -63.3689 -63.3689 -35.4803 -35.4803 -34.5448 -34.5448 -34.4631 -34.4631 -23.0989 -23.0989 -17.5139 -17.5139 -16.8464 -16.8464 -16.6884 -16.6884 -6.7515 -6.7515 -6.5017 -6.5017 -6.4682 -6.4682 0.4067 0.4067 0.6282 0.6282 0.6408 0.6408 1.8672 1.8672 1.8802 1.8802 2.1895 2.1895 2.1989 2.1989 2.2568 2.2568 2.2692 2.2692 7.5353 7.5353 7.5514 7.5514 7.5995 7.5995 8.4619 8.4619 8.5140 8.5140 9.4684 9.4684 k = 0.0000 0.0000 0.0266 ( 5989 PWs) bands (ev): -63.3687 -63.3687 -35.4803 -35.4803 -34.5448 -34.5448 -34.4631 -34.4631 -23.0989 -23.0989 -17.5129 -17.5129 -16.8467 -16.8467 -16.6884 -16.6884 -6.7515 -6.7515 -6.5015 -6.5015 -6.4684 -6.4684 0.4022 0.4022 0.6289 0.6289 0.6415 0.6415 1.8647 1.8647 1.8777 1.8777 2.1884 2.1884 2.1963 2.1963 2.2545 2.2545 2.2687 2.2687 7.5391 7.5391 7.5540 7.5540 7.6011 7.6011 8.4620 8.4620 8.5204 8.5204 9.4783 9.4783 k = 0.0000 0.0000 0.0399 ( 5997 PWs) bands (ev): -63.3692 -63.3692 -35.4804 -35.4804 -34.5450 -34.5450 -34.4632 -34.4632 -23.0987 -23.0987 -17.5112 -17.5112 -16.8471 -16.8471 -16.6883 -16.6883 -6.7514 -6.7514 -6.5013 -6.5013 -6.4687 -6.4687 0.3946 0.3946 0.6300 0.6300 0.6425 0.6425 1.8605 1.8605 1.8736 1.8736 2.1865 2.1865 2.1918 2.1918 2.2511 2.2511 2.2679 2.2679 7.5434 7.5434 7.5567 7.5567 7.6029 7.6029 8.4600 8.4600 8.5279 8.5279 9.4944 9.4944 k = 0.0000 0.0000 0.0532 ( 6013 PWs) bands (ev): -63.3702 -63.3702 -35.4806 -35.4806 -34.5453 -34.5453 -34.4634 -34.4634 -23.0985 -23.0985 -17.5087 -17.5087 -16.8477 -16.8477 -16.6882 -16.6882 -6.7513 -6.7513 -6.5008 -6.5008 -6.4691 -6.4691 0.3842 0.3842 0.6316 0.6316 0.6441 0.6441 1.8547 1.8547 1.8679 1.8679 2.1840 2.1840 2.1850 2.1850 2.2470 2.2470 2.2669 2.2669 7.5489 7.5489 7.5599 7.5599 7.6055 7.6055 8.4567 8.4567 8.5361 8.5361 9.5168 9.5168 k = 0.0000 0.0000 0.0666 ( 6013 PWs) bands (ev): -63.3702 -63.3702 -35.4807 -35.4807 -34.5455 -34.5455 -34.4634 -34.4634 -23.0983 -23.0983 -17.5056 -17.5056 -16.8485 -16.8485 -16.6881 -16.6881 -6.7512 -6.7512 -6.5003 -6.5003 -6.4696 -6.4696 0.3708 0.3708 0.6337 0.6337 0.6461 0.6461 1.8473 1.8473 1.8606 1.8606 2.1756 2.1756 2.1808 2.1808 2.2425 2.2425 2.2655 2.2655 7.5587 7.5587 7.5652 7.5652 7.6111 7.6111 8.4571 8.4571 8.5494 8.5494 9.5458 9.5458 k = 0.0000 0.0000 0.0799 ( 6013 PWs) bands (ev): -63.3702 -63.3702 -35.4808 -35.4808 -34.5457 -34.5457 -34.4634 -34.4634 -23.0980 -23.0980 -17.5019 -17.5019 -16.8495 -16.8495 -16.6880 -16.6880 -6.7510 -6.7510 -6.4997 -6.4997 -6.4702 -6.4702 0.3547 0.3547 0.6363 0.6363 0.6485 0.6485 1.8383 1.8383 1.8518 1.8518 2.1634 2.1634 2.1768 2.1768 2.2381 2.2381 2.2638 2.2638 7.5703 7.5703 7.5705 7.5705 7.6188 7.6188 8.4577 8.4577 8.5653 8.5653 9.5810 9.5810 k = 0.0000 0.0000 0.0932 ( 5989 PWs) bands (ev): -63.3686 -63.3686 -35.4807 -35.4807 -34.5456 -34.5456 -34.4631 -34.4631 -23.0977 -23.0977 -17.4975 -17.4975 -16.8507 -16.8507 -16.6879 -16.6879 -6.7508 -6.7508 -6.4989 -6.4989 -6.4708 -6.4708 0.3358 0.3358 0.6393 0.6393 0.6514 0.6514 1.8279 1.8279 1.8415 1.8415 2.1486 2.1486 2.1723 2.1723 2.2339 2.2339 2.2619 2.2619 7.5789 7.5789 7.5888 7.5888 7.6335 7.6335 8.4600 8.4600 8.5845 8.5845 9.6224 9.6224 k = 0.0000 0.0000 0.1065 ( 5997 PWs) bands (ev): -63.3691 -63.3691 -35.4810 -35.4810 -34.5460 -34.5460 -34.4631 -34.4631 -23.0973 -23.0973 -17.4925 -17.4925 -16.8520 -16.8520 -16.6877 -16.6877 -6.7506 -6.7506 -6.4981 -6.4981 -6.4716 -6.4716 0.3144 0.3144 0.6428 0.6428 0.6547 0.6547 1.8159 1.8159 1.8297 1.8297 2.1312 2.1312 2.1671 2.1671 2.2299 2.2299 2.2598 2.2598 7.5820 7.5820 7.6026 7.6026 7.6450 7.6450 8.4607 8.4607 8.6043 8.6043 9.6696 9.6696 k = 0.0000 0.0000 0.1198 ( 5989 PWs) bands (ev): -63.3686 -63.3686 -35.4810 -35.4810 -34.5462 -34.5462 -34.4631 -34.4631 -23.0968 -23.0968 -17.4869 -17.4869 -16.8535 -16.8535 -16.6875 -16.6875 -6.7504 -6.7504 -6.4972 -6.4972 -6.4725 -6.4725 0.2904 0.2904 0.6467 0.6467 0.6584 0.6584 1.8025 1.8025 1.8165 1.8165 2.1117 2.1117 2.1614 2.1614 2.2262 2.2262 2.2574 2.2574 7.5857 7.5857 7.6208 7.6208 7.6612 7.6612 8.4633 8.4633 8.6289 8.6289 9.7227 9.7227 k = 0.0000 0.0000 0.1331 ( 5989 PWs) bands (ev): -63.3686 -63.3686 -35.4812 -35.4812 -34.5466 -34.5466 -34.4630 -34.4630 -23.0964 -23.0964 -17.4807 -17.4807 -16.8552 -16.8552 -16.6873 -16.6873 -6.7501 -6.7501 -6.4961 -6.4961 -6.4734 -6.4734 0.2642 0.2642 0.6511 0.6511 0.6627 0.6627 1.7878 1.7878 1.8021 1.8021 2.0902 2.0902 2.1551 2.1551 2.2225 2.2225 2.2548 2.2548 7.5889 7.5889 7.6400 7.6400 7.6790 7.6790 8.4641 8.4641 8.6530 8.6530 9.7810 9.7810 k = 0.0000 0.0000 0.1464 ( 5993 PWs) bands (ev): -63.3688 -63.3688 -35.4815 -35.4815 -34.5470 -34.5470 -34.4631 -34.4631 -23.0959 -23.0959 -17.4740 -17.4740 -16.8570 -16.8570 -16.6871 -16.6871 -6.7499 -6.7499 -6.4950 -6.4950 -6.4744 -6.4744 0.2357 0.2357 0.6560 0.6560 0.6673 0.6673 1.7718 1.7718 1.7863 1.7863 2.0672 2.0672 2.1483 2.1483 2.2190 2.2190 2.2520 2.2520 7.5902 7.5902 7.6606 7.6606 7.6986 7.6986 8.4650 8.4650 8.6783 8.6783 9.8444 9.8444 k = 0.0000 0.0000 0.1597 ( 5985 PWs) bands (ev): -63.3683 -63.3683 -35.4816 -35.4816 -34.5473 -34.5473 -34.4630 -34.4630 -23.0953 -23.0953 -17.4667 -17.4667 -16.8590 -16.8590 -16.6868 -16.6868 -6.7496 -6.7496 -6.4938 -6.4938 -6.4755 -6.4755 0.2053 0.2053 0.6614 0.6614 0.6725 0.6725 1.7546 1.7546 1.7694 1.7694 2.0429 2.0429 2.1411 2.1411 2.2155 2.2155 2.2490 2.2490 7.5941 7.5941 7.6846 7.6846 7.7219 7.7219 8.4662 8.4662 8.7056 8.7056 9.9128 9.9128 k = 0.0000 0.0000 0.1730 ( 5969 PWs) bands (ev): -63.3673 -63.3673 -35.4817 -35.4817 -34.5474 -34.5474 -34.4628 -34.4628 -23.0947 -23.0947 -17.4590 -17.4590 -16.8611 -16.8611 -16.6866 -16.6866 -6.7494 -6.7494 -6.4926 -6.4926 -6.4766 -6.4766 0.1731 0.1731 0.6673 0.6673 0.6781 0.6781 1.7363 1.7363 1.7514 1.7514 2.0176 2.0176 2.1334 2.1334 2.2119 2.2119 2.2459 2.2459 7.5983 7.5983 7.7111 7.7111 7.7479 7.7479 8.4679 8.4679 8.7357 8.7357 9.9861 9.9861 k = 0.0000 0.0000 0.1863 ( 5969 PWs) bands (ev): -63.3672 -63.3672 -35.4819 -35.4819 -34.5479 -34.5479 -34.4628 -34.4628 -23.0941 -23.0941 -17.4509 -17.4509 -16.8634 -16.8634 -16.6863 -16.6863 -6.7491 -6.7491 -6.4912 -6.4912 -6.4777 -6.4777 0.1393 0.1393 0.6737 0.6737 0.6841 0.6841 1.7170 1.7170 1.7324 1.7324 1.9916 1.9916 2.1254 2.1254 2.2084 2.2084 2.2427 2.2427 7.6010 7.6010 7.7356 7.7356 7.7721 7.7721 8.4690 8.4690 8.7649 8.7649 10.0635 10.0635 k = 0.0000 0.0000 0.1997 ( 5969 PWs) bands (ev): -63.3672 -63.3672 -35.4821 -35.4821 -34.5483 -34.5483 -34.4628 -34.4628 -23.0935 -23.0935 -17.4424 -17.4424 -16.8659 -16.8659 -16.6860 -16.6860 -6.7489 -6.7489 -6.4899 -6.4899 -6.4788 -6.4788 0.1042 0.1042 0.6805 0.6805 0.6906 0.6906 1.6967 1.6967 1.7124 1.7124 1.9651 1.9651 2.1171 2.1171 2.2048 2.2048 2.2393 2.2393 7.6037 7.6037 7.7610 7.7610 7.7974 7.7974 8.4701 8.4701 8.7949 8.7949 10.1448 10.1448 k = 0.0000 0.0000 0.2130 ( 5965 PWs) bands (ev): -63.3669 -63.3669 -35.4824 -35.4824 -34.5487 -34.5487 -34.4628 -34.4628 -23.0928 -23.0928 -17.4335 -17.4335 -16.8685 -16.8685 -16.6858 -16.6858 -6.7487 -6.7487 -6.4884 -6.4884 -6.4800 -6.4800 0.0679 0.0679 0.6878 0.6878 0.6976 0.6976 1.6756 1.6756 1.6917 1.6917 1.9384 1.9384 2.1086 2.1086 2.2012 2.2012 2.2359 2.2359 7.6064 7.6064 7.7881 7.7881 7.8243 7.8243 8.4714 8.4714 8.8265 8.8265 10.2298 10.2298 k = 0.0000 0.0000 0.2263 ( 5957 PWs) bands (ev): -63.3663 -63.3663 -35.4825 -35.4825 -34.5491 -34.5491 -34.4627 -34.4627 -23.0922 -23.0922 -17.4243 -17.4243 -16.8712 -16.8712 -16.6855 -16.6855 -6.7484 -6.7484 -6.4870 -6.4870 -6.4812 -6.4812 0.0307 0.0307 0.6957 0.6957 0.7050 0.7050 1.6538 1.6538 1.6702 1.6702 1.9116 1.9116 2.0999 2.0999 2.1976 2.1976 2.2324 2.2324 7.6097 7.6097 7.8169 7.8169 7.8530 7.8530 8.4734 8.4734 8.8577 8.8577 10.3180 10.3180 k = 0.0000 0.0000 0.2396 ( 5958 PWs) bands (ev): -63.3663 -63.3663 -35.4828 -35.4828 -34.5496 -34.5496 -34.4627 -34.4627 -23.0915 -23.0915 -17.4148 -17.4148 -16.8740 -16.8740 -16.6852 -16.6852 -6.7482 -6.7482 -6.4855 -6.4855 -6.4823 -6.4823 -0.0072 -0.0072 0.7040 0.7040 0.7129 0.7129 1.6312 1.6312 1.6480 1.6480 1.8850 1.8850 2.0910 2.0910 2.1940 2.1940 2.2289 2.2289 7.6108 7.6108 7.8444 7.8444 7.8805 7.8805 8.4762 8.4762 8.8882 8.8882 10.4090 10.4090 k = 0.0000 0.0000 0.2529 ( 5966 PWs) bands (ev): -63.3668 -63.3668 -35.4832 -35.4832 -34.5502 -34.5502 -34.4627 -34.4627 -23.0908 -23.0908 -17.4052 -17.4052 -16.8770 -16.8770 -16.6849 -16.6849 -6.7481 -6.7481 -6.4840 -6.4840 -6.4835 -6.4835 -0.0455 -0.0455 0.7128 0.7128 0.7213 0.7213 1.6081 1.6081 1.6253 1.6253 1.8587 1.8587 2.0821 2.0821 2.1905 2.1905 2.2253 2.2253 7.6126 7.6126 7.8703 7.8703 7.9064 7.9064 8.4768 8.4768 8.9194 8.9194 10.5027 10.5027 k = 0.0000 0.0000 0.2662 ( 5966 PWs) bands (ev): -63.3667 -63.3667 -35.4834 -35.4834 -34.5507 -34.5507 -34.4627 -34.4627 -23.0901 -23.0901 -17.3953 -17.3953 -16.8801 -16.8801 -16.6846 -16.6846 -6.7479 -6.7479 -6.4846 -6.4846 -6.4824 -6.4824 -0.0838 -0.0838 0.7221 0.7221 0.7301 0.7301 1.5844 1.5844 1.6020 1.6020 1.8329 1.8329 2.0731 2.0731 2.1869 2.1869 2.2218 2.2218 7.6151 7.6151 7.8971 7.8971 7.9332 7.9332 8.4779 8.4779 8.9530 8.9530 10.5989 10.5989 k = 0.0000 0.0000 0.2795 ( 5982 PWs) bands (ev): -63.3677 -63.3677 -35.4839 -35.4839 -34.5514 -34.5514 -34.4629 -34.4629 -23.0894 -23.0894 -17.3854 -17.3854 -16.8833 -16.8833 -16.6843 -16.6843 -6.7478 -6.7478 -6.4857 -6.4857 -6.4809 -6.4809 -0.1223 -0.1223 0.7319 0.7319 0.7393 0.7393 1.5604 1.5604 1.5785 1.5785 1.8077 1.8077 2.0641 2.0641 2.1833 2.1833 2.2183 2.2183 7.6164 7.6164 7.9231 7.9231 7.9593 7.9593 8.4768 8.4768 8.9806 8.9806 10.6960 10.6960 k = 0.0000 0.0000 0.2928 ( 5978 PWs) bands (ev): -63.3674 -63.3674 -35.4841 -35.4841 -34.5518 -34.5518 -34.4628 -34.4628 -23.0887 -23.0887 -17.3754 -17.3754 -16.8865 -16.8865 -16.6840 -16.6840 -6.7477 -6.7477 -6.4868 -6.4868 -6.4794 -6.4794 -0.1604 -0.1604 0.7421 0.7421 0.7490 0.7490 1.5360 1.5360 1.5546 1.5546 1.7831 1.7831 2.0553 2.0553 2.1799 2.1799 2.2148 2.2148 7.6197 7.6197 7.9517 7.9517 7.9879 7.9879 8.4780 8.4780 9.0111 9.0111 10.7952 10.7952 k = 0.0000 0.0000 0.3061 ( 5978 PWs) bands (ev): -63.3674 -63.3674 -35.4844 -35.4844 -34.5523 -34.5523 -34.4628 -34.4628 -23.0880 -23.0880 -17.3654 -17.3654 -16.8899 -16.8899 -16.6837 -16.6837 -6.7476 -6.7476 -6.4878 -6.4878 -6.4779 -6.4779 -0.1979 -0.1979 0.7529 0.7529 0.7591 0.7591 1.5115 1.5115 1.5307 1.5307 1.7595 1.7595 2.0466 2.0466 2.1765 2.1765 2.2113 2.2113 7.6223 7.6223 7.9789 7.9789 8.0152 8.0152 8.4791 8.4791 9.0408 9.0408 10.8956 10.8956 k = 0.0000 0.0000 0.3195 ( 5990 PWs) bands (ev): -63.3681 -63.3681 -35.4847 -35.4847 -34.5530 -34.5530 -34.4628 -34.4628 -23.0873 -23.0873 -17.3555 -17.3555 -16.8933 -16.8933 -16.6834 -16.6834 -6.7475 -6.7475 -6.4888 -6.4888 -6.4764 -6.4764 -0.2347 -0.2347 0.7641 0.7641 0.7696 0.7696 1.4868 1.4868 1.5066 1.5066 1.7367 1.7367 2.0380 2.0380 2.1731 2.1731 2.2080 2.2080 7.6250 7.6250 8.0044 8.0044 8.0407 8.0407 8.4794 8.4794 9.0649 9.0649 10.9960 10.9960 k = 0.0000 0.0000 0.3328 ( 5962 PWs) bands (ev): -63.3663 -63.3663 -35.4848 -35.4848 -34.5532 -34.5532 -34.4624 -34.4624 -23.0867 -23.0867 -17.3456 -17.3456 -16.8967 -16.8967 -16.6831 -16.6831 -6.7475 -6.7475 -6.4897 -6.4897 -6.4750 -6.4750 -0.2702 -0.2702 0.7757 0.7757 0.7806 0.7806 1.4622 1.4622 1.4826 1.4826 1.7150 1.7150 2.0298 2.0298 2.1699 2.1699 2.2047 2.2047 7.6339 7.6339 8.0326 8.0326 8.0691 8.0691 8.4854 8.4854 9.0945 9.0945 11.0983 11.0983 k = 0.0000 0.0000 0.3461 ( 5978 PWs) bands (ev): -63.3673 -63.3673 -35.4852 -35.4852 -34.5539 -34.5539 -34.4625 -34.4625 -23.0860 -23.0860 -17.3360 -17.3360 -16.9001 -16.9001 -16.6828 -16.6828 -6.7475 -6.7475 -6.4906 -6.4906 -6.4736 -6.4736 -0.3047 -0.3047 0.7878 0.7878 0.7918 0.7918 1.4374 1.4374 1.4586 1.4586 1.6944 1.6944 2.0217 2.0217 2.1668 2.1668 2.2016 2.2016 7.6355 7.6355 8.0539 8.0539 8.0905 8.0905 8.4852 8.4852 9.1203 9.1203 11.1998 11.1998 k = 0.0000 0.0000 0.3594 ( 5986 PWs) bands (ev): -63.3678 -63.3678 -35.4855 -35.4855 -34.5544 -34.5544 -34.4625 -34.4625 -23.0854 -23.0854 -17.3266 -17.3266 -16.9036 -16.9036 -16.6825 -16.6825 -6.7475 -6.7475 -6.4914 -6.4914 -6.4722 -6.4722 -0.3378 -0.3378 0.8002 0.8002 0.8034 0.8034 1.4129 1.4129 1.4349 1.4349 1.6749 1.6749 2.0141 2.0141 2.1639 2.1639 2.1986 2.1986 7.6378 7.6378 8.0768 8.0768 8.1134 8.1134 8.4861 8.4861 9.1431 9.1431 11.3008 11.3008 k = 0.0000 0.0000 0.3727 ( 5978 PWs) bands (ev): -63.3672 -63.3672 -35.4856 -35.4856 -34.5547 -34.5547 -34.4624 -34.4624 -23.0848 -23.0848 -17.3175 -17.3175 -16.9070 -16.9070 -16.6823 -16.6823 -6.7475 -6.7475 -6.4921 -6.4921 -6.4710 -6.4710 -0.3691 -0.3691 0.8130 0.8130 0.8152 0.8152 1.3888 1.3888 1.4116 1.4116 1.6567 1.6567 2.0068 2.0068 2.1610 2.1610 2.1957 2.1957 7.6402 7.6402 8.1017 8.1017 8.1383 8.1383 8.4876 8.4876 9.1683 9.1683 11.4014 11.4014 k = 0.0000 0.0000 0.3860 ( 5978 PWs) bands (ev): -63.3672 -63.3672 -35.4859 -35.4859 -34.5551 -34.5551 -34.4624 -34.4624 -23.0843 -23.0843 -17.3088 -17.3088 -16.9103 -16.9103 -16.6820 -16.6820 -6.7475 -6.7475 -6.4928 -6.4928 -6.4697 -6.4697 -0.3987 -0.3987 0.8261 0.8261 0.8273 0.8273 1.3650 1.3650 1.3887 1.3887 1.6398 1.6398 1.9999 1.9999 2.1584 2.1584 2.1931 2.1931 7.6423 7.6423 8.1234 8.1234 8.1601 8.1601 8.4885 8.4885 9.1912 9.1912 11.5007 11.5007 k = 0.0000 0.0000 0.3993 ( 5986 PWs) bands (ev): -63.3677 -63.3677 -35.4861 -35.4861 -34.5555 -34.5555 -34.4626 -34.4626 -23.0838 -23.0838 -17.3005 -17.3005 -16.9136 -16.9136 -16.6818 -16.6818 -6.7476 -6.7476 -6.4935 -6.4935 -6.4686 -6.4686 -0.4263 -0.4263 0.8394 0.8394 0.8394 0.8394 1.3416 1.3416 1.3665 1.3665 1.6242 1.6242 1.9935 1.9935 2.1559 2.1559 2.1906 2.1906 7.6417 7.6417 8.1415 8.1415 8.1782 8.1782 8.4873 8.4873 9.2162 9.2162 11.5985 11.5985 k = 0.0000 0.0000 0.4126 ( 5990 PWs) bands (ev): -63.3679 -63.3679 -35.4864 -35.4864 -34.5559 -34.5559 -34.4626 -34.4626 -23.0833 -23.0833 -17.2927 -17.2927 -16.9167 -16.9167 -16.6816 -16.6816 -6.7476 -6.7476 -6.4940 -6.4940 -6.4676 -6.4676 -0.4518 -0.4518 0.8516 0.8516 0.8528 0.8528 1.3190 1.3190 1.3450 1.3450 1.6099 1.6099 1.9876 1.9876 2.1537 2.1537 2.1883 2.1883 7.6435 7.6435 8.1602 8.1602 8.1969 8.1969 8.4882 8.4882 9.2333 9.2333 11.6935 11.6935 k = 0.0000 0.0000 0.4259 ( 5978 PWs) bands (ev): -63.3671 -63.3671 -35.4864 -35.4864 -34.5560 -34.5560 -34.4625 -34.4625 -23.0829 -23.0829 -17.2855 -17.2855 -16.9196 -16.9196 -16.6814 -16.6814 -6.7477 -6.7477 -6.4945 -6.4945 -6.4666 -6.4666 -0.4749 -0.4749 0.8637 0.8637 0.8663 0.8663 1.2972 1.2972 1.3246 1.3246 1.5971 1.5971 1.9823 1.9823 2.1516 2.1516 2.1862 2.1862 7.6458 7.6458 8.1799 8.1799 8.2166 8.2166 8.4891 8.4891 9.2533 9.2533 11.7858 11.7858 k = 0.0000 0.0000 0.4392 ( 5978 PWs) bands (ev): -63.3671 -63.3671 -35.4865 -35.4865 -34.5563 -34.5563 -34.4625 -34.4625 -23.0825 -23.0825 -17.2789 -17.2789 -16.9223 -16.9223 -16.6813 -16.6813 -6.7478 -6.7478 -6.4950 -6.4950 -6.4658 -6.4658 -0.4957 -0.4957 0.8755 0.8755 0.8796 0.8796 1.2765 1.2765 1.3053 1.3053 1.5857 1.5857 1.9775 1.9775 2.1497 2.1497 2.1843 2.1843 7.6473 7.6473 8.1952 8.1952 8.2319 8.2319 8.4898 8.4898 9.2692 9.2692 11.8740 11.8740 k = 0.0000 0.0000 0.4526 ( 5982 PWs) bands (ev): -63.3673 -63.3673 -35.4867 -35.4867 -34.5566 -34.5566 -34.4625 -34.4625 -23.0821 -23.0821 -17.2731 -17.2731 -16.9248 -16.9248 -16.6811 -16.6811 -6.7478 -6.7478 -6.4954 -6.4954 -6.4650 -6.4650 -0.5140 -0.5140 0.8867 0.8867 0.8925 0.8925 1.2570 1.2570 1.2874 1.2874 1.5758 1.5758 1.9732 1.9732 2.1481 2.1481 2.1826 2.1826 7.6486 7.6486 8.2087 8.2087 8.2454 8.2454 8.4904 8.4904 9.2805 9.2805 11.9571 11.9571 k = 0.0000 0.0000 0.4659 ( 5966 PWs) bands (ev): -63.3663 -63.3663 -35.4867 -35.4867 -34.5566 -34.5566 -34.4623 -34.4623 -23.0818 -23.0818 -17.2680 -17.2680 -16.9270 -16.9270 -16.6810 -16.6810 -6.7479 -6.7479 -6.4957 -6.4957 -6.4644 -6.4644 -0.5296 -0.5296 0.8972 0.8972 0.9048 0.9048 1.2393 1.2393 1.2714 1.2714 1.5673 1.5673 1.9696 1.9696 2.1467 2.1467 2.1812 2.1812 7.6515 7.6515 8.2239 8.2239 8.2606 8.2606 8.4926 8.4926 9.2924 9.2924 12.0339 12.0339 k = 0.0000 0.0000 0.4792 ( 5978 PWs) bands (ev): -63.3670 -63.3670 -35.4869 -35.4869 -34.5569 -34.5569 -34.4624 -34.4624 -23.0816 -23.0816 -17.2638 -17.2638 -16.9288 -16.9288 -16.6809 -16.6809 -6.7479 -6.7479 -6.4959 -6.4959 -6.4638 -6.4638 -0.5425 -0.5425 0.9066 0.9066 0.9159 0.9159 1.2234 1.2234 1.2573 1.2573 1.5604 1.5604 1.9666 1.9666 2.1456 2.1456 2.1800 2.1800 7.6513 7.6513 8.2311 8.2311 8.2677 8.2677 8.4917 8.4917 9.3016 9.3016 12.1025 12.1025 k = 0.0000 0.0000 0.4925 ( 5974 PWs) bands (ev): -63.3668 -63.3668 -35.4869 -35.4869 -34.5570 -34.5570 -34.4624 -34.4624 -23.0814 -23.0814 -17.2604 -17.2604 -16.9303 -16.9303 -16.6808 -16.6808 -6.7480 -6.7480 -6.4961 -6.4961 -6.4634 -6.4634 -0.5525 -0.5525 0.9145 0.9145 0.9255 0.9255 1.2102 1.2102 1.2457 1.2457 1.5550 1.5550 1.9643 1.9643 2.1447 2.1447 2.1791 2.1791 7.6521 7.6521 8.2388 8.2388 8.2754 8.2754 8.4921 8.4921 9.3116 9.3116 12.1605 12.1605 k = 0.0000 0.0000 0.5058 ( 5962 PWs) bands (ev): -63.3660 -63.3660 -35.4869 -35.4869 -34.5571 -34.5571 -34.4621 -34.4621 -23.0813 -23.0813 -17.2580 -17.2580 -16.9314 -16.9314 -16.6807 -16.6807 -6.7480 -6.7480 -6.4963 -6.4963 -6.4631 -6.4631 -0.5595 -0.5595 0.9206 0.9206 0.9330 0.9330 1.2001 1.2001 1.2371 1.2371 1.5511 1.5511 1.9626 1.9626 2.1440 2.1440 2.1785 2.1785 7.6562 7.6562 8.2444 8.2444 8.2811 8.2811 8.4972 8.4972 9.3157 9.3157 12.2051 12.2051 k = 0.0000 0.0000 0.5191 ( 5962 PWs) bands (ev): -63.3660 -63.3660 -35.4869 -35.4869 -34.5571 -34.5571 -34.4621 -34.4621 -23.0812 -23.0812 -17.2565 -17.2565 -16.9321 -16.9321 -16.6807 -16.6807 -6.7480 -6.7480 -6.4964 -6.4964 -6.4629 -6.4629 -0.5639 -0.5639 0.9244 0.9244 0.9378 0.9378 1.1938 1.1938 1.2317 1.2317 1.5488 1.5488 1.9616 1.9616 2.1436 2.1436 2.1781 2.1781 7.6565 7.6565 8.2477 8.2477 8.2843 8.2843 8.4973 8.4973 9.3190 9.3190 12.2334 12.2334 k = 0.0000 0.0000 0.5324 ( 5974 PWs) bands (ev): -63.3667 -63.3667 -35.4871 -35.4871 -34.5574 -34.5574 -34.4621 -34.4621 -23.0812 -23.0812 -17.2560 -17.2560 -16.9323 -16.9323 -16.6807 -16.6807 -6.7481 -6.7481 -6.4964 -6.4964 -6.4629 -6.4629 -0.5653 -0.5653 0.9257 0.9257 0.9394 0.9394 1.1915 1.1915 1.2298 1.2298 1.5480 1.5480 1.9613 1.9613 2.1435 2.1435 2.1780 2.1780 7.6569 7.6569 8.2452 8.2452 8.2819 8.2819 8.4980 8.4980 9.3181 9.3181 12.2431 12.2431 k = 0.0000 0.0000 0.5324 ( 5974 PWs) bands (ev): -63.3667 -63.3667 -35.4871 -35.4871 -34.5574 -34.5574 -34.4621 -34.4621 -23.0812 -23.0812 -17.2560 -17.2560 -16.9323 -16.9323 -16.6807 -16.6807 -6.7481 -6.7481 -6.4964 -6.4964 -6.4629 -6.4629 -0.5653 -0.5653 0.9257 0.9257 0.9394 0.9394 1.1915 1.1915 1.2298 1.2298 1.5480 1.5480 1.9613 1.9613 2.1435 2.1435 2.1780 2.1780 7.6569 7.6569 8.2452 8.2452 8.2819 8.2819 8.4980 8.4980 9.3181 9.3181 12.2431 12.2431 k = 0.0000 0.0135 0.5324 ( 5974 PWs) bands (ev): -63.3668 -63.3668 -35.4871 -35.4871 -34.5573 -34.5573 -34.4623 -34.4623 -23.0812 -23.0812 -17.2560 -17.2560 -16.9321 -16.9321 -16.6807 -16.6807 -6.7481 -6.7481 -6.4965 -6.4965 -6.4629 -6.4629 -0.5657 -0.5657 0.9254 0.9254 0.9392 0.9392 1.1893 1.1893 1.2276 1.2276 1.5515 1.5515 1.9623 1.9623 2.1428 2.1428 2.1772 2.1772 7.6560 7.6560 8.2477 8.2477 8.2843 8.2843 8.4959 8.4959 9.3207 9.3207 12.2449 12.2449 k = 0.0000 0.0270 0.5324 ( 5982 PWs) bands (ev): -63.3673 -63.3673 -35.4871 -35.4871 -34.5573 -34.5573 -34.4624 -34.4624 -23.0811 -23.0811 -17.2561 -17.2561 -16.9315 -16.9315 -16.6807 -16.6807 -6.7483 -6.7483 -6.4967 -6.4967 -6.4631 -6.4631 -0.5663 -0.5663 0.9244 0.9244 0.9388 0.9388 1.1817 1.1817 1.2224 1.2224 1.5614 1.5614 1.9653 1.9653 2.1406 2.1406 2.1749 2.1749 7.6563 7.6563 8.2474 8.2474 8.2841 8.2841 8.4992 8.4992 9.3248 9.3248 12.2504 12.2504 k = 0.0000 0.0405 0.5324 ( 5986 PWs) bands (ev): -63.3676 -63.3676 -35.4872 -35.4872 -34.5573 -34.5573 -34.4625 -34.4625 -23.0811 -23.0811 -17.2561 -17.2561 -16.9304 -16.9304 -16.6808 -16.6808 -6.7487 -6.7487 -6.4971 -6.4971 -6.4633 -6.4633 -0.5673 -0.5673 0.9221 0.9221 0.9388 0.9388 1.1672 1.1672 1.2172 1.2172 1.5762 1.5762 1.9703 1.9703 2.1371 2.1371 2.1712 2.1712 7.6586 7.6586 8.2498 8.2498 8.2868 8.2868 8.5034 8.5034 9.3313 9.3313 12.2594 12.2594 k = 0.0000 0.0541 0.5324 ( 5994 PWs) bands (ev): -63.3681 -63.3681 -35.4873 -35.4873 -34.5574 -34.5574 -34.4627 -34.4627 -23.0810 -23.0810 -17.2562 -17.2562 -16.9290 -16.9290 -16.6809 -16.6809 -6.7491 -6.7491 -6.4977 -6.4977 -6.4637 -6.4637 -0.5686 -0.5686 0.9179 0.9179 0.9398 0.9398 1.1459 1.1459 1.2133 1.2133 1.5944 1.5944 1.9774 1.9774 2.1322 2.1322 2.1661 2.1661 7.6624 7.6624 8.2503 8.2503 8.2877 8.2877 8.5115 8.5115 9.3414 9.3414 12.2720 12.2720 k = 0.0000 0.0676 0.5324 ( 5986 PWs) bands (ev): -63.3676 -63.3676 -35.4872 -35.4872 -34.5574 -34.5574 -34.4627 -34.4627 -23.0809 -23.0809 -17.2562 -17.2562 -16.9272 -16.9272 -16.6811 -16.6811 -6.7498 -6.7498 -6.4984 -6.4984 -6.4641 -6.4641 -0.5702 -0.5702 0.9118 0.9118 0.9417 0.9417 1.1199 1.1199 1.2103 1.2103 1.6145 1.6145 1.9865 1.9865 2.1261 2.1261 2.1596 2.1596 7.6709 7.6709 8.2528 8.2528 8.2917 8.2917 8.5230 8.5230 9.3566 9.3566 12.2882 12.2882 k = 0.0000 0.0811 0.5324 ( 5984 PWs) bands (ev): -63.3675 -63.3675 -35.4872 -35.4872 -34.5574 -34.5574 -34.4627 -34.4627 -23.0807 -23.0807 -17.2563 -17.2563 -16.9250 -16.9250 -16.6813 -16.6813 -6.7505 -6.7505 -6.4993 -6.4993 -6.4646 -6.4646 -0.5720 -0.5720 0.9040 0.9040 0.9445 0.9445 1.0906 1.0906 1.2076 1.2076 1.6355 1.6355 1.9976 1.9976 2.1187 2.1187 2.1519 2.1519 7.6792 7.6792 8.2537 8.2537 8.2948 8.2948 8.5381 8.5381 9.3743 9.3743 12.3079 12.3079 k = 0.0000 0.0946 0.5324 ( 5972 PWs) bands (ev): -63.3667 -63.3667 -35.4872 -35.4872 -34.5573 -34.5573 -34.4626 -34.4626 -23.0806 -23.0806 -17.2564 -17.2564 -16.9225 -16.9225 -16.6815 -16.6815 -6.7514 -6.7514 -6.5004 -6.5004 -6.4652 -6.4652 -0.5742 -0.5742 0.8945 0.8945 0.9481 0.9481 1.0593 1.0593 1.2051 1.2051 1.6564 1.6564 2.0107 2.0107 2.1104 2.1104 2.1431 2.1431 7.6942 7.6942 8.2557 8.2557 8.2999 8.2999 8.5528 8.5528 9.3957 9.3957 12.3312 12.3312 k = 0.0000 0.1081 0.5324 ( 5972 PWs) bands (ev): -63.3667 -63.3667 -35.4872 -35.4872 -34.5574 -34.5574 -34.4627 -34.4627 -23.0804 -23.0804 -17.2566 -17.2566 -16.9196 -16.9196 -16.6818 -16.6818 -6.7523 -6.7523 -6.5017 -6.5017 -6.4657 -6.4657 -0.5768 -0.5768 0.8834 0.8834 0.9524 0.9524 1.0267 1.0267 1.2025 1.2025 1.6769 1.6769 2.0256 2.0256 2.1011 2.1011 2.1332 2.1332 7.7059 7.7059 8.2572 8.2572 8.3060 8.3060 8.5673 8.5673 9.4195 9.4195 12.3580 12.3580 k = 0.0000 0.1216 0.5324 ( 5966 PWs) bands (ev): -63.3664 -63.3664 -35.4872 -35.4872 -34.5573 -34.5573 -34.4628 -34.4628 -23.0802 -23.0802 -17.2567 -17.2567 -16.9163 -16.9163 -16.6821 -16.6821 -6.7534 -6.7534 -6.5031 -6.5031 -6.4663 -6.4663 -0.5798 -0.5798 0.8709 0.8709 0.9572 0.9572 0.9933 0.9933 1.1998 1.1998 1.6964 1.6964 2.0421 2.0421 2.0910 2.0910 2.1225 2.1225 7.7204 7.7204 8.2585 8.2585 8.3137 8.3137 8.5838 8.5838 9.4474 9.4474 12.3882 12.3882 k = 0.0000 0.1351 0.5324 ( 5964 PWs) bands (ev): -63.3663 -63.3663 -35.4873 -35.4873 -34.5574 -34.5574 -34.4628 -34.4628 -23.0800 -23.0800 -17.2568 -17.2568 -16.9127 -16.9127 -16.6825 -16.6825 -6.7547 -6.7547 -6.5047 -6.5047 -6.4669 -6.4669 -0.5830 -0.5830 0.8570 0.8570 0.9584 0.9584 0.9638 0.9638 1.1970 1.1970 1.7149 1.7149 2.0594 2.0594 2.0806 2.0806 2.1114 2.1114 7.7343 7.7343 8.2594 8.2594 8.3214 8.3214 8.6009 8.6009 9.4787 9.4787 12.4219 12.4219 k = 0.0000 0.1486 0.5324 ( 5960 PWs) bands (ev): -63.3660 -63.3660 -35.4873 -35.4873 -34.5574 -34.5574 -34.4630 -34.4630 -23.0797 -23.0797 -17.2570 -17.2570 -16.9089 -16.9089 -16.6829 -16.6829 -6.7560 -6.7560 -6.5065 -6.5065 -6.4674 -6.4674 -0.5867 -0.5867 0.8417 0.8417 0.9254 0.9254 0.9691 0.9691 1.1940 1.1940 1.7323 1.7323 2.0657 2.0657 2.0807 2.0807 2.1009 2.1009 7.7493 7.7493 8.2613 8.2613 8.3302 8.3302 8.6171 8.6171 9.5146 9.5146 12.4589 12.4589 k = 0.0000 0.1622 0.5324 ( 5964 PWs) bands (ev): -63.3663 -63.3663 -35.4874 -35.4874 -34.5575 -34.5575 -34.4632 -34.4632 -23.0795 -23.0795 -17.2572 -17.2572 -16.9047 -16.9047 -16.6834 -16.6834 -6.7574 -6.7574 -6.5085 -6.5085 -6.4679 -6.4679 -0.5907 -0.5907 0.8253 0.8253 0.8918 0.8918 0.9757 0.9757 1.1909 1.1909 1.7485 1.7485 2.0544 2.0544 2.0834 2.0834 2.1056 2.1056 7.7643 7.7643 8.2613 8.2613 8.3386 8.3386 8.6329 8.6329 9.5525 9.5525 12.4992 12.4992 k = 0.0000 0.1757 0.5324 ( 5964 PWs) bands (ev): -63.3663 -63.3663 -35.4875 -35.4875 -34.5575 -34.5575 -34.4633 -34.4633 -23.0792 -23.0792 -17.2574 -17.2574 -16.9003 -16.9003 -16.6839 -16.6839 -6.7589 -6.7589 -6.5106 -6.5106 -6.4684 -6.4684 -0.5949 -0.5949 0.8076 0.8076 0.8586 0.8586 0.9829 0.9829 1.1876 1.1876 1.7636 1.7636 2.0413 2.0413 2.0725 2.0725 2.1256 2.1256 7.7817 7.7817 8.2615 8.2615 8.3479 8.3479 8.6485 8.6485 9.5936 9.5936 12.5428 12.5428 k = 0.0000 0.1892 0.5324 ( 5968 PWs) bands (ev): -63.3665 -63.3665 -35.4876 -35.4876 -34.5576 -34.5576 -34.4635 -34.4635 -23.0789 -23.0789 -17.2576 -17.2576 -16.8957 -16.8957 -16.6845 -16.6845 -6.7605 -6.7605 -6.5129 -6.5129 -6.4688 -6.4688 -0.5995 -0.5995 0.7888 0.7888 0.8261 0.8261 0.9906 0.9906 1.1842 1.1842 1.7778 1.7778 2.0272 2.0272 2.0608 2.0608 2.1476 2.1476 7.7992 7.7992 8.2619 8.2619 8.3578 8.3578 8.6616 8.6616 9.6371 9.6371 12.5896 12.5896 k = 0.0000 0.2027 0.5324 ( 5968 PWs) bands (ev): -63.3665 -63.3665 -35.4877 -35.4877 -34.5577 -34.5577 -34.4637 -34.4637 -23.0787 -23.0787 -17.2578 -17.2578 -16.8908 -16.8908 -16.6851 -16.6851 -6.7621 -6.7621 -6.5153 -6.5153 -6.4692 -6.4692 -0.6044 -0.6044 0.7687 0.7687 0.7949 0.7949 0.9988 0.9988 1.1807 1.1807 1.7911 1.7911 2.0121 2.0121 2.0494 2.0494 2.1700 2.1700 7.8150 7.8150 8.2612 8.2612 8.3702 8.3702 8.6770 8.6770 9.6845 9.6845 12.6395 12.6395 k = 0.0000 0.2162 0.5324 ( 5968 PWs) bands (ev): -63.3665 -63.3665 -35.4877 -35.4877 -34.5577 -34.5577 -34.4638 -34.4638 -23.0784 -23.0784 -17.2580 -17.2580 -16.8858 -16.8858 -16.6858 -16.6858 -6.7638 -6.7638 -6.5178 -6.5178 -6.4695 -6.4695 -0.6095 -0.6095 0.7466 0.7466 0.7656 0.7656 1.0075 1.0075 1.1771 1.1771 1.8035 1.8035 1.9961 1.9961 2.0386 2.0386 2.1927 2.1927 7.8335 7.8335 8.2615 8.2615 8.3818 8.3818 8.6895 8.6895 9.7333 9.7333 12.6923 12.6923 k = 0.0000 0.2297 0.5324 ( 5964 PWs) bands (ev): -63.3663 -63.3663 -35.4878 -35.4878 -34.5578 -34.5578 -34.4639 -34.4639 -23.0781 -23.0781 -17.2582 -17.2582 -16.8806 -16.8806 -16.6866 -16.6866 -6.7656 -6.7656 -6.5204 -6.5204 -6.4698 -6.4698 -0.6149 -0.6149 0.7219 0.7219 0.7395 0.7395 1.0166 1.0166 1.1735 1.1735 1.8152 1.8152 1.9793 1.9793 2.0286 2.0286 2.2152 2.2152 7.8542 7.8542 8.2620 8.2620 8.3936 8.3936 8.7011 8.7011 9.7842 9.7842 12.7481 12.7481 k = 0.0000 0.2432 0.5324 ( 5968 PWs) bands (ev): -63.3666 -63.3666 -35.4879 -35.4879 -34.5579 -34.5579 -34.4641 -34.4641 -23.0778 -23.0778 -17.2584 -17.2584 -16.8753 -16.8753 -16.6874 -16.6874 -6.7674 -6.7674 -6.5231 -6.5231 -6.4700 -6.4700 -0.6205 -0.6205 0.6949 0.6949 0.7163 0.7163 1.0262 1.0262 1.1698 1.1698 1.8262 1.8262 1.9618 1.9618 2.0194 2.0194 2.2375 2.2375 7.8727 7.8727 8.2622 8.2622 8.4054 8.4054 8.7108 8.7108 9.8351 9.8351 12.8067 12.8067 k = 0.0000 0.2568 0.5324 ( 5966 PWs) bands (ev): -63.3664 -63.3664 -35.4880 -35.4880 -34.5579 -34.5579 -34.4643 -34.4643 -23.0775 -23.0775 -17.2586 -17.2586 -16.8699 -16.8699 -16.6884 -16.6884 -6.7692 -6.7692 -6.5258 -6.5258 -6.4701 -6.4701 -0.6262 -0.6262 0.6674 0.6674 0.6944 0.6944 1.0361 1.0361 1.1661 1.1661 1.8365 1.8365 1.9438 1.9438 2.0109 2.0109 2.2592 2.2592 7.8909 7.8909 8.2616 8.2616 8.4202 8.4202 8.7225 8.7225 9.8863 9.8863 12.8680 12.8680 k = 0.0000 0.2703 0.5324 ( 5966 PWs) bands (ev): -63.3665 -63.3665 -35.4880 -35.4880 -34.5580 -34.5580 -34.4644 -34.4644 -23.0772 -23.0772 -17.2588 -17.2588 -16.8644 -16.8644 -16.6893 -16.6893 -6.7710 -6.7710 -6.5285 -6.5285 -6.4702 -6.4702 -0.6320 -0.6320 0.6405 0.6405 0.6732 0.6732 1.0464 1.0464 1.1624 1.1624 1.8461 1.8461 1.9256 1.9256 2.0033 2.0033 2.2804 2.2804 7.9102 7.9102 8.2599 8.2599 8.4325 8.4325 8.7326 8.7326 9.9392 9.9392 12.9317 12.9317 k = 0.0000 0.2838 0.5324 ( 5966 PWs) bands (ev): -63.3665 -63.3665 -35.4881 -35.4881 -34.5581 -34.5581 -34.4646 -34.4646 -23.0769 -23.0769 -17.2590 -17.2590 -16.8590 -16.8590 -16.6904 -16.6904 -6.7728 -6.7728 -6.5312 -6.5312 -6.4703 -6.4703 -0.6380 -0.6380 0.6145 0.6145 0.6526 0.6526 1.0570 1.0570 1.1588 1.1588 1.8548 1.8548 1.9075 1.9075 1.9964 1.9964 2.3007 2.3007 7.9290 7.9290 8.2600 8.2600 8.4449 8.4449 8.7405 8.7405 9.9920 9.9920 12.9978 12.9978 k = 0.0000 0.2973 0.5324 ( 5974 PWs) bands (ev): -63.3670 -63.3670 -35.4883 -35.4883 -34.5582 -34.5582 -34.4648 -34.4648 -23.0766 -23.0766 -17.2592 -17.2592 -16.8535 -16.8535 -16.6915 -16.6915 -6.7746 -6.7746 -6.5338 -6.5338 -6.4703 -6.4703 -0.6442 -0.6442 0.5896 0.5896 0.6324 0.6324 1.0678 1.0678 1.1553 1.1553 1.8617 1.8617 1.8905 1.8905 1.9902 1.9902 2.3202 2.3202 7.9454 7.9454 8.2599 8.2599 8.4565 8.4565 8.7475 8.7475 10.0416 10.0416 13.0661 13.0661 k = 0.0000 0.3108 0.5324 ( 5970 PWs) bands (ev): -63.3667 -63.3667 -35.4883 -35.4883 -34.5583 -34.5583 -34.4649 -34.4649 -23.0763 -23.0763 -17.2594 -17.2594 -16.8480 -16.8480 -16.6927 -16.6927 -6.7764 -6.7764 -6.5364 -6.5364 -6.4703 -6.4703 -0.6501 -0.6501 0.5660 0.5660 0.6130 0.6130 1.0788 1.0788 1.1518 1.1518 1.8607 1.8607 1.8809 1.8809 1.9847 1.9847 2.3387 2.3387 7.9647 7.9647 8.2600 8.2600 8.4674 8.4674 8.7543 8.7543 10.0946 10.0946 13.1363 13.1363 k = 0.0000 0.3243 0.5324 ( 5986 PWs) bands (ev): -63.3678 -63.3678 -35.4886 -35.4886 -34.5586 -34.5586 -34.4652 -34.4652 -23.0760 -23.0760 -17.2596 -17.2596 -16.8427 -16.8427 -16.6940 -16.6940 -6.7781 -6.7781 -6.5390 -6.5390 -6.4703 -6.4703 -0.6562 -0.6562 0.5436 0.5436 0.5942 0.5942 1.0899 1.0899 1.1485 1.1485 1.8464 1.8464 1.8841 1.8841 1.9799 1.9799 2.3562 2.3562 7.9808 7.9808 8.2587 8.2587 8.4749 8.4749 8.7579 8.7579 10.1418 10.1418 13.2080 13.2080 k = 0.0000 0.3378 0.5324 ( 5990 PWs) bands (ev): -63.3681 -63.3681 -35.4887 -35.4887 -34.5587 -34.5587 -34.4653 -34.4653 -23.0758 -23.0758 -17.2598 -17.2598 -16.8374 -16.8374 -16.6953 -16.6953 -6.7798 -6.7798 -6.5414 -6.5414 -6.4703 -6.4703 -0.6621 -0.6621 0.5227 0.5227 0.5766 0.5766 1.1011 1.1011 1.1452 1.1452 1.8290 1.8290 1.8901 1.8901 1.9757 1.9757 2.3726 2.3726 7.9963 7.9963 8.2575 8.2575 8.4835 8.4835 8.7635 8.7635 10.1910 10.1910 13.2465 13.2465 k = 0.0000 0.3514 0.5324 ( 5986 PWs) bands (ev): -63.3678 -63.3678 -35.4887 -35.4887 -34.5587 -34.5587 -34.4655 -34.4655 -23.0755 -23.0755 -17.2600 -17.2600 -16.8324 -16.8324 -16.6967 -16.6967 -6.7813 -6.7813 -6.5437 -6.5437 -6.4702 -6.4702 -0.6678 -0.6678 0.5034 0.5034 0.5598 0.5598 1.1122 1.1122 1.1422 1.1422 1.8115 1.8115 1.8962 1.8962 1.9722 1.9722 2.3878 2.3878 8.0119 8.0119 8.2576 8.2576 8.4956 8.4956 8.7685 8.7685 10.2370 10.2370 13.2580 13.2580 k = 0.0000 0.3649 0.5324 ( 5994 PWs) bands (ev): -63.3684 -63.3684 -35.4888 -35.4888 -34.5588 -34.5588 -34.4657 -34.4657 -23.0753 -23.0753 -17.2601 -17.2601 -16.8275 -16.8275 -16.6981 -16.6981 -6.7828 -6.7828 -6.5459 -6.5459 -6.4701 -6.4701 -0.6734 -0.6734 0.4855 0.4855 0.5440 0.5440 1.1231 1.1231 1.1394 1.1394 1.7943 1.7943 1.9019 1.9019 1.9692 1.9692 2.4018 2.4018 8.0254 8.0254 8.2576 8.2576 8.5042 8.5042 8.7712 8.7712 10.2770 10.2770 13.2695 13.2695 k = 0.0000 0.3784 0.5324 ( 5998 PWs) bands (ev): -63.3686 -63.3686 -35.4889 -35.4889 -34.5589 -34.5589 -34.4659 -34.4659 -23.0751 -23.0751 -17.2603 -17.2603 -16.8228 -16.8228 -16.6995 -16.6995 -6.7842 -6.7842 -6.5479 -6.5479 -6.4700 -6.4700 -0.6787 -0.6787 0.4693 0.4693 0.5296 0.5296 1.1337 1.1337 1.1368 1.1368 1.7778 1.7778 1.9071 1.9071 1.9668 1.9668 2.4146 2.4146 8.0363 8.0363 8.2588 8.2588 8.5139 8.5139 8.7736 8.7736 10.3162 10.3162 13.2804 13.2804 k = 0.0000 0.3919 0.5324 ( 5994 PWs) bands (ev): -63.3684 -63.3684 -35.4889 -35.4889 -34.5589 -34.5589 -34.4660 -34.4660 -23.0749 -23.0749 -17.2604 -17.2604 -16.8184 -16.8184 -16.7008 -16.7008 -6.7855 -6.7855 -6.5498 -6.5498 -6.4699 -6.4699 -0.6836 -0.6836 0.4547 0.4547 0.5165 0.5165 1.1344 1.1344 1.1439 1.1439 1.7623 1.7623 1.9116 1.9116 1.9649 1.9649 2.4261 2.4261 8.0487 8.0487 8.2588 8.2588 8.5238 8.5238 8.7774 8.7774 10.3530 10.3530 13.2914 13.2914 k = 0.0000 0.4054 0.5324 ( 5990 PWs) bands (ev): -63.3682 -63.3682 -35.4889 -35.4889 -34.5589 -34.5589 -34.4660 -34.4660 -23.0747 -23.0747 -17.2605 -17.2605 -16.8144 -16.8144 -16.7022 -16.7022 -6.7867 -6.7867 -6.5515 -6.5515 -6.4698 -6.4698 -0.6881 -0.6881 0.4417 0.4417 0.5048 0.5048 1.1322 1.1322 1.1535 1.1535 1.7478 1.7478 1.9155 1.9155 1.9635 1.9635 2.4363 2.4363 8.0600 8.0600 8.2592 8.2592 8.5332 8.5332 8.7803 8.7803 10.3856 10.3856 13.3018 13.3018 k = 0.0000 0.4189 0.5324 ( 5986 PWs) bands (ev): -63.3679 -63.3679 -35.4890 -35.4890 -34.5589 -34.5589 -34.4661 -34.4661 -23.0745 -23.0745 -17.2606 -17.2606 -16.8107 -16.8107 -16.7035 -16.7035 -6.7877 -6.7877 -6.5529 -6.5529 -6.4697 -6.4697 -0.6921 -0.6921 0.4304 0.4304 0.4945 0.4945 1.1303 1.1303 1.1623 1.1623 1.7347 1.7347 1.9187 1.9187 1.9625 1.9625 2.4451 2.4451 8.0701 8.0701 8.2594 8.2594 8.5415 8.5415 8.7830 8.7830 10.4145 10.4145 13.3114 13.3114 k = 0.0000 0.4324 0.5324 ( 5978 PWs) bands (ev): -63.3674 -63.3674 -35.4889 -35.4889 -34.5589 -34.5589 -34.4660 -34.4660 -23.0744 -23.0744 -17.2607 -17.2607 -16.8075 -16.8075 -16.7047 -16.7047 -6.7886 -6.7886 -6.5542 -6.5542 -6.4696 -6.4696 -0.6954 -0.6954 0.4208 0.4208 0.4859 0.4859 1.1287 1.1287 1.1703 1.1703 1.7232 1.7232 1.9213 1.9213 1.9619 1.9619 2.4527 2.4527 8.0808 8.0808 8.2590 8.2590 8.5465 8.5465 8.7865 8.7865 10.4417 10.4417 13.3203 13.3203 k = 0.0000 0.4459 0.5324 ( 5962 PWs) bands (ev): -63.3664 -63.3664 -35.4888 -35.4888 -34.5587 -34.5587 -34.4659 -34.4659 -23.0743 -23.0743 -17.2608 -17.2608 -16.8047 -16.8047 -16.7057 -16.7057 -6.7893 -6.7893 -6.5552 -6.5552 -6.4696 -6.4696 -0.6982 -0.6982 0.4130 0.4130 0.4789 0.4789 1.1273 1.1273 1.1771 1.1771 1.7133 1.7133 1.9233 1.9233 1.9616 1.9616 2.4588 2.4588 8.0889 8.0889 8.2593 8.2593 8.5542 8.5542 8.7904 8.7904 10.4669 10.4669 13.3279 13.3279 k = 0.0000 0.4595 0.5324 ( 5966 PWs) bands (ev): -63.3667 -63.3667 -35.4889 -35.4889 -34.5587 -34.5587 -34.4660 -34.4660 -23.0742 -23.0742 -17.2609 -17.2609 -16.8025 -16.8025 -16.7066 -16.7066 -6.7899 -6.7899 -6.5561 -6.5561 -6.4695 -6.4695 -0.7006 -0.7006 0.4068 0.4068 0.4732 0.4732 1.1262 1.1262 1.1826 1.1826 1.7054 1.7054 1.9248 1.9248 1.9615 1.9615 2.4637 2.4637 8.0932 8.0932 8.2589 8.2589 8.5573 8.5573 8.7913 8.7913 10.4824 10.4824 13.3339 13.3339 k = 0.0000 0.4730 0.5324 ( 5970 PWs) bands (ev): -63.3670 -63.3670 -35.4889 -35.4889 -34.5588 -34.5588 -34.4660 -34.4660 -23.0741 -23.0741 -17.2609 -17.2609 -16.8009 -16.8009 -16.7073 -16.7073 -6.7903 -6.7903 -6.5567 -6.5567 -6.4695 -6.4695 -0.7022 -0.7022 0.4024 0.4024 0.4691 0.4691 1.1255 1.1255 1.1867 1.1867 1.6996 1.6996 1.9258 1.9258 1.9615 1.9615 2.4671 2.4671 8.0970 8.0970 8.2585 8.2585 8.5590 8.5590 8.7916 8.7916 10.4929 10.4929 13.3382 13.3382 k = 0.0000 0.4865 0.5324 ( 5968 PWs) bands (ev): -63.3669 -63.3669 -35.4889 -35.4889 -34.5588 -34.5588 -34.4660 -34.4660 -23.0741 -23.0741 -17.2609 -17.2609 -16.7999 -16.7999 -16.7077 -16.7077 -6.7905 -6.7905 -6.5570 -6.5570 -6.4694 -6.4694 -0.7032 -0.7032 0.3997 0.3997 0.4667 0.4667 1.1250 1.1250 1.1892 1.1892 1.6961 1.6961 1.9264 1.9264 1.9615 1.9615 2.4692 2.4692 8.0991 8.0991 8.2595 8.2595 8.5600 8.5600 8.7925 8.7925 10.5007 10.5007 13.3410 13.3410 k = 0.0000 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3669 -63.3669 -35.4889 -35.4889 -34.5588 -34.5588 -34.4661 -34.4661 -23.0741 -23.0741 -17.2610 -17.2610 -16.7996 -16.7996 -16.7078 -16.7078 -6.7906 -6.7906 -6.5571 -6.5571 -6.4694 -6.4694 -0.7036 -0.7036 0.3988 0.3988 0.4659 0.4659 1.1249 1.1249 1.1900 1.1900 1.6949 1.6949 1.9266 1.9266 1.9615 1.9615 2.4699 2.4699 8.0999 8.0999 8.2595 8.2595 8.5606 8.5606 8.7926 8.7926 10.5030 10.5030 13.3419 13.3419 k = 0.0000 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3669 -63.3669 -35.4889 -35.4889 -34.5588 -34.5588 -34.4661 -34.4661 -23.0741 -23.0741 -17.2610 -17.2610 -16.7996 -16.7996 -16.7078 -16.7078 -6.7906 -6.7906 -6.5571 -6.5571 -6.4694 -6.4694 -0.7036 -0.7036 0.3988 0.3988 0.4659 0.4659 1.1249 1.1249 1.1900 1.1900 1.6949 1.6949 1.9266 1.9266 1.9615 1.9615 2.4699 2.4699 8.0999 8.0999 8.2595 8.2595 8.5606 8.5606 8.7926 8.7926 10.5030 10.5030 13.3419 13.3419 k = 0.0135 0.5000 0.5324 ( 5972 PWs) bands (ev): -63.3671 -63.3671 -35.4890 -35.4890 -34.5589 -34.5589 -34.4661 -34.4661 -23.0741 -23.0741 -17.2609 -17.2609 -16.7994 -16.7994 -16.7078 -16.7078 -6.7907 -6.7907 -6.5572 -6.5572 -6.4697 -6.4697 -0.7038 -0.7038 0.3993 0.3993 0.4658 0.4658 1.1234 1.1234 1.1887 1.1887 1.6915 1.6915 1.9288 1.9288 1.9644 1.9644 2.4699 2.4699 8.0999 8.0999 8.2587 8.2587 8.5601 8.5601 8.7952 8.7952 10.5029 10.5029 13.3412 13.3412 k = 0.0270 0.5000 0.5324 ( 5972 PWs) bands (ev): -63.3671 -63.3671 -35.4890 -35.4890 -34.5589 -34.5589 -34.4661 -34.4661 -23.0740 -23.0740 -17.2609 -17.2609 -16.7989 -16.7989 -16.7077 -16.7077 -6.7911 -6.7911 -6.5575 -6.5575 -6.4704 -6.4704 -0.7044 -0.7044 0.4006 0.4006 0.4654 0.4654 1.1191 1.1191 1.1848 1.1848 1.6820 1.6820 1.9352 1.9352 1.9729 1.9729 2.4701 2.4701 8.1016 8.1016 8.2602 8.2602 8.5602 8.5602 8.8033 8.8033 10.5031 10.5031 13.3393 13.3393 k = 0.0405 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3668 -63.3668 -35.4890 -35.4890 -34.5588 -34.5588 -34.4661 -34.4661 -23.0740 -23.0740 -17.2608 -17.2608 -16.7980 -16.7980 -16.7077 -16.7077 -6.7917 -6.7917 -6.5580 -6.5580 -6.4716 -6.4716 -0.7054 -0.7054 0.4029 0.4029 0.4649 0.4649 1.1122 1.1122 1.1783 1.1783 1.6675 1.6675 1.9448 1.9448 1.9865 1.9865 2.4703 2.4703 8.1053 8.1053 8.2631 8.2631 8.5615 8.5615 8.8168 8.8168 10.5035 10.5035 13.3361 13.3361 k = 0.0541 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3668 -63.3668 -35.4890 -35.4890 -34.5588 -34.5588 -34.4662 -34.4662 -23.0739 -23.0739 -17.2608 -17.2608 -16.7968 -16.7968 -16.7075 -16.7075 -6.7926 -6.7926 -6.5587 -6.5587 -6.4733 -6.4733 -0.7070 -0.7070 0.4061 0.4061 0.4641 0.4641 1.1028 1.1028 1.1693 1.1693 1.6495 1.6495 1.9568 1.9568 2.0044 2.0044 2.4706 2.4706 8.1081 8.1081 8.2683 8.2683 8.5617 8.5617 8.8349 8.8349 10.5040 10.5040 13.3316 13.3316 k = 0.0676 0.5000 0.5324 ( 5956 PWs) bands (ev): -63.3660 -63.3660 -35.4889 -35.4889 -34.5587 -34.5587 -34.4661 -34.4661 -23.0738 -23.0738 -17.2606 -17.2606 -16.7952 -16.7952 -16.7074 -16.7074 -6.7937 -6.7937 -6.5596 -6.5596 -6.4754 -6.4754 -0.7088 -0.7088 0.4101 0.4101 0.4632 0.4632 1.0911 1.0911 1.1580 1.1580 1.6292 1.6292 1.9711 1.9711 2.0253 2.0253 2.4711 2.4711 8.1145 8.1145 8.2753 8.2753 8.5637 8.5637 8.8591 8.8591 10.5065 10.5065 13.3260 13.3260 k = 0.0811 0.5000 0.5324 ( 5956 PWs) bands (ev): -63.3660 -63.3660 -35.4889 -35.4889 -34.5587 -34.5587 -34.4662 -34.4662 -23.0737 -23.0737 -17.2605 -17.2605 -16.7933 -16.7933 -16.7072 -16.7072 -6.7950 -6.7950 -6.5607 -6.5607 -6.4779 -6.4779 -0.7110 -0.7110 0.4147 0.4147 0.4620 0.4620 1.0774 1.0774 1.1445 1.1445 1.6073 1.6073 1.9873 1.9873 2.0484 2.0484 2.4716 2.4716 8.1210 8.1210 8.2798 8.2798 8.5633 8.5633 8.8886 8.8886 10.5069 10.5069 13.3193 13.3193 k = 0.0946 0.5000 0.5324 ( 5952 PWs) bands (ev): -63.3657 -63.3657 -35.4889 -35.4889 -34.5588 -34.5588 -34.4662 -34.4662 -23.0736 -23.0736 -17.2604 -17.2604 -16.7910 -16.7910 -16.7070 -16.7070 -6.7966 -6.7966 -6.5619 -6.5619 -6.4809 -6.4809 -0.7137 -0.7137 0.4201 0.4201 0.4606 0.4606 1.0621 1.0621 1.1290 1.1290 1.5846 1.5846 2.0052 2.0052 2.0730 2.0730 2.4722 2.4722 8.1302 8.1302 8.2853 8.2853 8.5649 8.5649 8.9221 8.9221 10.5070 10.5070 13.3114 13.3114 k = 0.1081 0.5000 0.5324 ( 5948 PWs) bands (ev): -63.3654 -63.3654 -35.4889 -35.4889 -34.5588 -34.5588 -34.4662 -34.4662 -23.0735 -23.0735 -17.2602 -17.2602 -16.7885 -16.7885 -16.7068 -16.7068 -6.7983 -6.7983 -6.5633 -6.5633 -6.4843 -6.4843 -0.7167 -0.7167 0.4258 0.4258 0.4594 0.4594 1.0454 1.0454 1.1118 1.1118 1.5614 1.5614 2.0247 2.0247 2.0984 2.0984 2.4728 2.4728 8.1387 8.1387 8.2925 8.2925 8.5653 8.5653 8.9614 8.9614 10.5078 10.5078 13.3024 13.3024 k = 0.1216 0.5000 0.5324 ( 5956 PWs) bands (ev): -63.3659 -63.3659 -35.4891 -35.4891 -34.5588 -34.5588 -34.4665 -34.4665 -23.0733 -23.0733 -17.2600 -17.2600 -16.7857 -16.7857 -16.7065 -16.7065 -6.8003 -6.8003 -6.5649 -6.5649 -6.4880 -6.4880 -0.7204 -0.7204 0.4314 0.4314 0.4585 0.4585 1.0276 1.0276 1.0930 1.0930 1.5379 1.5379 2.0455 2.0455 2.1245 2.1245 2.4736 2.4736 8.1453 8.1453 8.3012 8.3012 8.5652 8.5652 9.0000 9.0000 10.5083 10.5083 13.2917 13.2917 k = 0.1351 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3667 -63.3667 -35.4892 -35.4892 -34.5590 -34.5590 -34.4668 -34.4668 -23.0731 -23.0731 -17.2598 -17.2598 -16.7826 -16.7826 -16.7062 -16.7062 -6.8024 -6.8024 -6.5666 -6.5666 -6.4920 -6.4920 -0.7245 -0.7245 0.4359 0.4359 0.4590 0.4590 1.0088 1.0088 1.0729 1.0729 1.5145 1.5145 2.0673 2.0673 2.1508 2.1508 2.4744 2.4744 8.1540 8.1540 8.3059 8.3059 8.5651 8.5651 9.0435 9.0435 10.5087 10.5087 13.2801 13.2801 k = 0.1486 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3667 -63.3667 -35.4893 -35.4893 -34.5590 -34.5590 -34.4669 -34.4669 -23.0730 -23.0730 -17.2595 -17.2595 -16.7793 -16.7793 -16.7059 -16.7059 -6.8048 -6.8048 -6.5684 -6.5684 -6.4963 -6.4963 -0.7289 -0.7289 0.4379 0.4379 0.4623 0.4623 0.9895 0.9895 1.0519 1.0519 1.4914 1.4914 2.0899 2.0899 2.1772 2.1772 2.4753 2.4753 8.1638 8.1638 8.3166 8.3166 8.5657 8.5657 9.0910 9.0910 10.5104 10.5104 13.2675 13.2675 k = 0.1622 0.5000 0.5324 ( 5960 PWs) bands (ev): -63.3662 -63.3662 -35.4893 -35.4893 -34.5590 -34.5590 -34.4670 -34.4670 -23.0728 -23.0728 -17.2593 -17.2593 -16.7758 -16.7758 -16.7056 -16.7056 -6.8072 -6.8072 -6.5704 -6.5704 -6.5009 -6.5009 -0.7337 -0.7337 0.4370 0.4370 0.4685 0.4685 0.9698 0.9698 1.0301 1.0301 1.4686 1.4686 2.1130 2.1130 2.2035 2.2035 2.4763 2.4763 8.1759 8.1759 8.3295 8.3295 8.5671 8.5671 9.1429 9.1429 10.5121 10.5121 13.2541 13.2541 k = 0.1757 0.5000 0.5324 ( 5956 PWs) bands (ev): -63.3659 -63.3659 -35.4893 -35.4893 -34.5590 -34.5590 -34.4671 -34.4671 -23.0726 -23.0726 -17.2590 -17.2590 -16.7721 -16.7721 -16.7052 -16.7052 -6.8099 -6.8099 -6.5725 -6.5725 -6.5057 -6.5057 -0.7388 -0.7388 0.4342 0.4342 0.4767 0.4767 0.9499 0.9499 1.0080 1.0080 1.4462 1.4462 2.1365 2.1365 2.2295 2.2295 2.4774 2.4774 8.1890 8.1890 8.3401 8.3401 8.5679 8.5679 9.1980 9.1980 10.5136 10.5136 13.2399 13.2399 k = 0.1892 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3667 -63.3667 -35.4895 -35.4895 -34.5591 -34.5591 -34.4674 -34.4674 -23.0724 -23.0724 -17.2588 -17.2588 -16.7682 -16.7682 -16.7049 -16.7049 -6.8126 -6.8126 -6.5746 -6.5746 -6.5107 -6.5107 -0.7445 -0.7445 0.4301 0.4301 0.4859 0.4859 0.9299 0.9299 0.9855 0.9855 1.4243 1.4243 2.1602 2.1602 2.2553 2.2553 2.4785 2.4785 8.2002 8.2002 8.3494 8.3494 8.5678 8.5678 9.2513 9.2513 10.5138 10.5138 13.2245 13.2245 k = 0.2027 0.5000 0.5324 ( 5964 PWs) bands (ev): -63.3665 -63.3665 -35.4895 -35.4895 -34.5592 -34.5592 -34.4675 -34.4675 -23.0721 -23.0721 -17.2585 -17.2585 -16.7642 -16.7642 -16.7045 -16.7045 -6.8155 -6.8155 -6.5769 -6.5769 -6.5158 -6.5158 -0.7504 -0.7504 0.4252 0.4252 0.4958 0.4958 0.9101 0.9101 0.9633 0.9633 1.4031 1.4031 2.1839 2.1839 2.2805 2.2805 2.4796 2.4796 8.2141 8.2141 8.3610 8.3610 8.5684 8.5684 9.3112 9.3112 10.5157 10.5157 13.2087 13.2087 k = 0.2162 0.5000 0.5324 ( 5972 PWs) bands (ev): -63.3670 -63.3670 -35.4897 -35.4897 -34.5593 -34.5593 -34.4678 -34.4678 -23.0719 -23.0719 -17.2582 -17.2582 -16.7600 -16.7600 -16.7041 -16.7041 -6.8184 -6.8184 -6.5793 -6.5793 -6.5209 -6.5209 -0.7567 -0.7567 0.4195 0.4195 0.5061 0.5061 0.8905 0.8905 0.9413 0.9413 1.3825 1.3825 2.2075 2.2075 2.3052 2.3052 2.4808 2.4808 8.2276 8.2276 8.3725 8.3725 8.5667 8.5667 9.3688 9.3688 10.5166 10.5166 13.1919 13.1919 k = 0.2297 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3667 -63.3667 -35.4897 -35.4897 -34.5593 -34.5593 -34.4679 -34.4679 -23.0717 -23.0717 -17.2579 -17.2579 -16.7558 -16.7558 -16.7037 -16.7037 -6.8214 -6.8214 -6.5817 -6.5817 -6.5262 -6.5262 -0.7633 -0.7633 0.4132 0.4132 0.5167 0.5167 0.8712 0.8712 0.9200 0.9200 1.3627 1.3627 2.2307 2.2307 2.3293 2.3293 2.4821 2.4821 8.2429 8.2429 8.3853 8.3853 8.5674 8.5674 9.4299 9.4299 10.5190 10.5190 13.1747 13.1747 k = 0.2432 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3667 -63.3667 -35.4898 -35.4898 -34.5594 -34.5594 -34.4681 -34.4681 -23.0715 -23.0715 -17.2576 -17.2576 -16.7516 -16.7516 -16.7033 -16.7033 -6.8245 -6.8245 -6.5841 -6.5841 -6.5314 -6.5314 -0.7703 -0.7703 0.4064 0.4064 0.5275 0.5275 0.8525 0.8525 0.8995 0.8995 1.3436 1.3436 2.2535 2.2535 2.3526 2.3526 2.4834 2.4834 8.2563 8.2563 8.3998 8.3998 8.5679 8.5679 9.4882 9.4882 10.5233 10.5233 13.1567 13.1567 k = 0.2568 0.5000 0.5324 ( 5960 PWs) bands (ev): -63.3662 -63.3662 -35.4898 -35.4898 -34.5594 -34.5594 -34.4682 -34.4682 -23.0712 -23.0712 -17.2573 -17.2573 -16.7473 -16.7473 -16.7029 -16.7029 -6.8276 -6.8276 -6.5866 -6.5866 -6.5366 -6.5366 -0.7774 -0.7774 0.3991 0.3991 0.5384 0.5384 0.8343 0.8343 0.8799 0.8799 1.3253 1.3253 2.2758 2.2758 2.3751 2.3751 2.4848 2.4848 8.2745 8.2745 8.4128 8.4128 8.5689 8.5689 9.5485 9.5485 10.5277 10.5277 13.1385 13.1385 k = 0.2703 0.5000 0.5324 ( 5956 PWs) bands (ev): -63.3660 -63.3660 -35.4898 -35.4898 -34.5594 -34.5594 -34.4683 -34.4683 -23.0710 -23.0710 -17.2570 -17.2570 -16.7430 -16.7430 -16.7025 -16.7025 -6.8307 -6.8307 -6.5891 -6.5891 -6.5418 -6.5418 -0.7848 -0.7848 0.3911 0.3911 0.5492 0.5492 0.8168 0.8168 0.8615 0.8615 1.3079 1.3079 2.2974 2.2974 2.3967 2.3967 2.4862 2.4862 8.2906 8.2906 8.4261 8.4261 8.5703 8.5703 9.6083 9.6083 10.5313 10.5313 13.1198 13.1198 k = 0.2838 0.5000 0.5324 ( 5948 PWs) bands (ev): -63.3655 -63.3655 -35.4898 -35.4898 -34.5594 -34.5594 -34.4683 -34.4683 -23.0708 -23.0708 -17.2567 -17.2567 -16.7388 -16.7388 -16.7021 -16.7021 -6.8337 -6.8337 -6.5916 -6.5916 -6.5468 -6.5468 -0.7922 -0.7922 0.3828 0.3828 0.5599 0.5599 0.8000 0.8000 0.8443 0.8443 1.2913 1.2913 2.3182 2.3182 2.4172 2.4172 2.4878 2.4878 8.3074 8.3074 8.4396 8.4396 8.5715 8.5715 9.6684 9.6684 10.5358 10.5358 13.1011 13.1011 k = 0.2973 0.5000 0.5324 ( 5952 PWs) bands (ev): -63.3658 -63.3658 -35.4900 -35.4900 -34.5595 -34.5595 -34.4686 -34.4686 -23.0705 -23.0705 -17.2564 -17.2564 -16.7346 -16.7346 -16.7017 -16.7017 -6.8368 -6.8368 -6.5941 -6.5941 -6.5517 -6.5517 -0.7999 -0.7999 0.3741 0.3741 0.5704 0.5704 0.7839 0.7839 0.8285 0.8285 1.2755 1.2755 2.3382 2.3382 2.4366 2.4366 2.4896 2.4896 8.3192 8.3192 8.4523 8.4523 8.5721 8.5721 9.7266 9.7266 10.5393 10.5393 13.0822 13.0822 k = 0.3108 0.5000 0.5324 ( 5952 PWs) bands (ev): -63.3658 -63.3658 -35.4900 -35.4900 -34.5595 -34.5595 -34.4687 -34.4687 -23.0703 -23.0703 -17.2562 -17.2562 -16.7306 -16.7306 -16.7013 -16.7013 -6.8397 -6.8397 -6.5965 -6.5965 -6.5563 -6.5563 -0.8075 -0.8075 0.3652 0.3652 0.5806 0.5806 0.7687 0.7687 0.8139 0.8139 1.2607 1.2607 2.3572 2.3572 2.4544 2.4544 2.4918 2.4918 8.3336 8.3336 8.4646 8.4646 8.5730 8.5730 9.7820 9.7820 10.5442 10.5442 13.0633 13.0633 k = 0.3243 0.5000 0.5324 ( 5956 PWs) bands (ev): -63.3660 -63.3660 -35.4901 -35.4901 -34.5596 -34.5596 -34.4689 -34.4689 -23.0701 -23.0701 -17.2559 -17.2559 -16.7267 -16.7267 -16.7009 -16.7009 -6.8426 -6.8426 -6.5989 -6.5989 -6.5608 -6.5608 -0.8152 -0.8152 0.3562 0.3562 0.5905 0.5905 0.7544 0.7544 0.8007 0.8007 1.2467 1.2467 2.3752 2.3752 2.4699 2.4699 2.4954 2.4954 8.3456 8.3456 8.4765 8.4765 8.5740 8.5740 9.8349 9.8349 10.5491 10.5491 13.0446 13.0446 k = 0.3378 0.5000 0.5324 ( 5940 PWs) bands (ev): -63.3650 -63.3650 -35.4901 -35.4901 -34.5595 -34.5595 -34.4689 -34.4689 -23.0699 -23.0699 -17.2556 -17.2556 -16.7229 -16.7229 -16.7006 -16.7006 -6.8454 -6.8454 -6.6013 -6.6013 -6.5650 -6.5650 -0.8226 -0.8226 0.3473 0.3473 0.5999 0.5999 0.7411 0.7411 0.7889 0.7889 1.2339 1.2339 2.3921 2.3921 2.4810 2.4810 2.5022 2.5022 8.3625 8.3625 8.4905 8.4905 8.5769 8.5769 9.8876 9.8876 10.5559 10.5559 13.0264 13.0264 k = 0.3514 0.5000 0.5324 ( 5940 PWs) bands (ev): -63.3650 -63.3650 -35.4901 -35.4901 -34.5595 -34.5595 -34.4690 -34.4690 -23.0697 -23.0697 -17.2554 -17.2554 -16.7194 -16.7194 -16.7002 -16.7002 -6.8480 -6.8480 -6.6036 -6.6036 -6.5689 -6.5689 -0.8298 -0.8298 0.3385 0.3385 0.6089 0.6089 0.7286 0.7286 0.7783 0.7783 1.2219 1.2219 2.4079 2.4079 2.4868 2.4868 2.5131 2.5131 8.3754 8.3754 8.5013 8.5013 8.5781 8.5781 9.9347 9.9347 10.5625 10.5625 13.0084 13.0084 k = 0.3649 0.5000 0.5324 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4902 -35.4902 -34.5596 -34.5596 -34.4691 -34.4691 -23.0695 -23.0695 -17.2552 -17.2552 -16.7161 -16.7161 -16.6998 -16.6998 -6.8505 -6.8505 -6.6057 -6.6057 -6.5725 -6.5725 -0.8368 -0.8368 0.3300 0.3300 0.6172 0.6172 0.7172 0.7172 0.7691 0.7691 1.2109 1.2109 2.4224 2.4224 2.4898 2.4898 2.5256 2.5256 8.3876 8.3876 8.5114 8.5114 8.5795 8.5795 9.9806 9.9806 10.5700 10.5700 12.9912 12.9912 k = 0.3784 0.5000 0.5324 ( 5928 PWs) bands (ev): -63.3643 -63.3643 -35.4902 -35.4902 -34.5596 -34.5596 -34.4691 -34.4691 -23.0693 -23.0693 -17.2549 -17.2549 -16.7130 -16.7130 -16.6995 -16.6995 -6.8528 -6.8528 -6.6078 -6.6078 -6.5758 -6.5758 -0.8433 -0.8433 0.3219 0.3219 0.6249 0.6249 0.7069 0.7069 0.7611 0.7611 1.2010 1.2010 2.4356 2.4356 2.4918 2.4918 2.5379 2.5379 8.4003 8.4003 8.5211 8.5211 8.5814 8.5814 10.0230 10.0230 10.5782 10.5782 12.9747 12.9747 k = 0.3919 0.5000 0.5324 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4903 -35.4903 -34.5597 -34.5597 -34.4693 -34.4693 -23.0692 -23.0692 -17.2547 -17.2547 -16.7102 -16.7102 -16.6991 -16.6991 -6.8550 -6.8550 -6.6098 -6.6098 -6.5787 -6.5787 -0.8496 -0.8496 0.3143 0.3143 0.6319 0.6319 0.6975 0.6975 0.7539 0.7539 1.1920 1.1920 2.4474 2.4474 2.4934 2.4934 2.5492 2.5492 8.4100 8.4100 8.5273 8.5273 8.5827 8.5827 10.0566 10.0566 10.5855 10.5855 12.9587 12.9587 k = 0.4054 0.5000 0.5324 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4903 -35.4903 -34.5597 -34.5597 -34.4694 -34.4694 -23.0691 -23.0691 -17.2546 -17.2546 -16.7078 -16.7078 -16.6988 -16.6988 -6.8569 -6.8569 -6.6115 -6.6115 -6.5814 -6.5814 -0.8553 -0.8553 0.3074 0.3074 0.6381 0.6381 0.6893 0.6893 0.7478 0.7478 1.1841 1.1841 2.4577 2.4577 2.4949 2.4949 2.5594 2.5594 8.4196 8.4196 8.5343 8.5343 8.5847 8.5847 10.0874 10.0874 10.5940 10.5940 12.9431 12.9431 k = 0.4189 0.5000 0.5324 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4904 -35.4904 -34.5598 -34.5598 -34.4694 -34.4694 -23.0689 -23.0689 -17.2544 -17.2544 -16.7056 -16.7056 -16.6984 -16.6984 -6.8586 -6.8586 -6.6131 -6.6131 -6.5836 -6.5836 -0.8604 -0.8604 0.3011 0.3011 0.6434 0.6434 0.6823 0.6823 0.7427 0.7427 1.1772 1.1772 2.4665 2.4665 2.4964 2.4964 2.5683 2.5683 8.4281 8.4281 8.5409 8.5409 8.5871 8.5871 10.1140 10.1140 10.6013 10.6013 12.9268 12.9268 k = 0.4324 0.5000 0.5324 ( 5932 PWs) bands (ev): -63.3645 -63.3645 -35.4904 -35.4904 -34.5597 -34.5597 -34.4695 -34.4695 -23.0688 -23.0688 -17.2543 -17.2543 -16.7039 -16.7039 -16.6980 -16.6980 -6.8600 -6.8600 -6.6145 -6.6145 -6.5855 -6.5855 -0.8648 -0.8648 0.2957 0.2957 0.6478 0.6478 0.6766 0.6766 0.7386 0.7386 1.1714 1.1714 2.4737 2.4737 2.4980 2.4980 2.5760 2.5760 8.4360 8.4360 8.5465 8.5465 8.5900 8.5900 10.1367 10.1367 10.6093 10.6093 12.9100 12.9100 k = 0.4459 0.5000 0.5324 ( 5928 PWs) bands (ev): -63.3642 -63.3642 -35.4904 -35.4904 -34.5597 -34.5597 -34.4695 -34.4695 -23.0687 -23.0687 -17.2542 -17.2542 -16.7026 -16.7026 -16.6976 -16.6976 -6.8612 -6.8612 -6.6157 -6.6157 -6.5871 -6.5871 -0.8686 -0.8686 0.2912 0.2912 0.6512 0.6512 0.6722 0.6722 0.7351 0.7351 1.1666 1.1666 2.4792 2.4792 2.4997 2.4997 2.5823 2.5823 8.4431 8.4431 8.5513 8.5513 8.5942 8.5942 10.1531 10.1531 10.6160 10.6160 12.8947 12.8947 k = 0.4595 0.5000 0.5324 ( 5912 PWs) bands (ev): -63.3632 -63.3632 -35.4902 -35.4902 -34.5595 -34.5595 -34.4694 -34.4694 -23.0687 -23.0687 -17.2541 -17.2541 -16.7017 -16.7017 -16.6971 -16.6971 -6.8622 -6.8622 -6.6166 -6.6166 -6.5883 -6.5883 -0.8715 -0.8715 0.2879 0.2879 0.6533 0.6533 0.6693 0.6693 0.7327 0.7327 1.1629 1.1629 2.4830 2.4830 2.5015 2.5015 2.5872 2.5872 8.4496 8.4496 8.5568 8.5568 8.5991 8.5991 10.1684 10.1684 10.6240 10.6240 12.8822 12.8822 k = 0.4730 0.5000 0.5324 ( 5900 PWs) bands (ev): -63.3625 -63.3625 -35.4901 -35.4901 -34.5594 -34.5594 -34.4693 -34.4693 -23.0686 -23.0686 -17.2540 -17.2540 -16.7011 -16.7011 -16.6967 -16.6967 -6.8629 -6.8629 -6.6173 -6.6173 -6.5891 -6.5891 -0.8735 -0.8735 0.2854 0.2854 0.6542 0.6542 0.6679 0.6679 0.7311 0.7311 1.1603 1.1603 2.4855 2.4855 2.5030 2.5030 2.5908 2.5908 8.4542 8.4542 8.5606 8.5606 8.6024 8.6024 10.1805 10.1805 10.6292 10.6292 12.8732 12.8732 k = 0.4865 0.5000 0.5324 ( 5896 PWs) bands (ev): -63.3623 -63.3623 -35.4901 -35.4901 -34.5594 -34.5594 -34.4693 -34.4693 -23.0686 -23.0686 -17.2540 -17.2540 -16.7007 -16.7007 -16.6964 -16.6964 -6.8633 -6.8633 -6.6177 -6.6177 -6.5897 -6.5897 -0.8748 -0.8748 0.2838 0.2838 0.6544 0.6544 0.6674 0.6674 0.7300 0.7300 1.1587 1.1587 2.4868 2.4868 2.5041 2.5041 2.5929 2.5929 8.4566 8.4566 8.5626 8.5626 8.6042 8.6042 10.1864 10.1864 10.6323 10.6323 12.8677 12.8677 k = 0.5000 0.5000 0.5324 ( 5896 PWs) bands (ev): -63.3623 -63.3623 -35.4901 -35.4901 -34.5594 -34.5594 -34.4693 -34.4693 -23.0686 -23.0686 -17.2540 -17.2540 -16.7006 -16.7006 -16.6963 -16.6963 -6.8634 -6.8634 -6.6179 -6.6179 -6.5898 -6.5898 -0.8753 -0.8753 0.2833 0.2833 0.6544 0.6544 0.6674 0.6674 0.7296 0.7296 1.1582 1.1582 2.4872 2.4872 2.5045 2.5045 2.5936 2.5936 8.4573 8.4573 8.5629 8.5629 8.6046 8.6046 10.1882 10.1882 10.6333 10.6333 12.8659 12.8659 k = 0.5000 0.5000 0.5324 ( 5896 PWs) bands (ev): -63.3623 -63.3623 -35.4901 -35.4901 -34.5594 -34.5594 -34.4693 -34.4693 -23.0686 -23.0686 -17.2540 -17.2540 -16.7006 -16.7006 -16.6963 -16.6963 -6.8634 -6.8634 -6.6179 -6.6179 -6.5898 -6.5898 -0.8753 -0.8753 0.2833 0.2833 0.6544 0.6544 0.6674 0.6674 0.7296 0.7296 1.1582 1.1582 2.4872 2.4872 2.5045 2.5045 2.5936 2.5936 8.4573 8.4573 8.5629 8.5629 8.6046 8.6046 10.1882 10.1882 10.6333 10.6333 12.8659 12.8659 k = 0.4906 0.4906 0.5324 ( 5896 PWs) bands (ev): -63.3623 -63.3623 -35.4901 -35.4901 -34.5594 -34.5594 -34.4693 -34.4693 -23.0686 -23.0686 -17.2540 -17.2540 -16.7007 -16.7007 -16.6964 -16.6964 -6.8633 -6.8633 -6.6177 -6.6177 -6.5897 -6.5897 -0.8748 -0.8748 0.2838 0.2838 0.6544 0.6544 0.6674 0.6674 0.7300 0.7300 1.1587 1.1587 2.4868 2.4868 2.5041 2.5041 2.5929 2.5929 8.4566 8.4566 8.5626 8.5626 8.6042 8.6042 10.1864 10.1864 10.6323 10.6323 12.8676 12.8676 k = 0.4811 0.4811 0.5324 ( 5902 PWs) bands (ev): -63.3626 -63.3626 -35.4901 -35.4901 -34.5594 -34.5594 -34.4693 -34.4693 -23.0686 -23.0686 -17.2540 -17.2540 -16.7011 -16.7011 -16.6967 -16.6967 -6.8629 -6.8629 -6.6173 -6.6173 -6.5892 -6.5892 -0.8736 -0.8736 0.2853 0.2853 0.6544 0.6544 0.6677 0.6677 0.7310 0.7310 1.1602 1.1602 2.4856 2.4856 2.5030 2.5030 2.5909 2.5909 8.4539 8.4539 8.5602 8.5602 8.6019 8.6019 10.1807 10.1807 10.6293 10.6293 12.8729 12.8729 k = 0.4717 0.4717 0.5324 ( 5910 PWs) bands (ev): -63.3631 -63.3631 -35.4902 -35.4902 -34.5595 -34.5595 -34.4693 -34.4693 -23.0687 -23.0687 -17.2541 -17.2541 -16.7017 -16.7017 -16.6970 -16.6970 -6.8622 -6.8622 -6.6167 -6.6167 -6.5883 -6.5883 -0.8715 -0.8715 0.2878 0.2878 0.6544 0.6544 0.6682 0.6682 0.7327 0.7327 1.1628 1.1628 2.4836 2.4836 2.5011 2.5011 2.5874 2.5874 8.4500 8.4500 8.5565 8.5565 8.5986 8.5986 10.1710 10.1710 10.6238 10.6238 12.8816 12.8816 k = 0.4623 0.4623 0.5324 ( 5922 PWs) bands (ev): -63.3639 -63.3639 -35.4903 -35.4903 -34.5596 -34.5596 -34.4695 -34.4695 -23.0687 -23.0687 -17.2542 -17.2542 -16.7028 -16.7028 -16.6973 -16.6973 -6.8613 -6.8613 -6.6157 -6.6157 -6.5872 -6.5872 -0.8687 -0.8687 0.2912 0.2912 0.6541 0.6541 0.6693 0.6693 0.7349 0.7349 1.1664 1.1664 2.4807 2.4807 2.4985 2.4985 2.5827 2.5827 8.4432 8.4432 8.5533 8.5533 8.5957 8.5957 10.1553 10.1553 10.6158 10.6158 12.8932 12.8932 k = 0.4528 0.4528 0.5324 ( 5930 PWs) bands (ev): -63.3644 -63.3644 -35.4903 -35.4903 -34.5597 -34.5597 -34.4695 -34.4695 -23.0688 -23.0688 -17.2543 -17.2543 -16.7044 -16.7044 -16.6974 -16.6974 -6.8601 -6.8601 -6.6146 -6.6146 -6.5857 -6.5857 -0.8650 -0.8650 0.2957 0.2957 0.6535 0.6535 0.6710 0.6710 0.7378 0.7378 1.1711 1.1711 2.4769 2.4769 2.4953 2.4953 2.5766 2.5766 8.4375 8.4375 8.5488 8.5488 8.5907 8.5907 10.1375 10.1375 10.6070 10.6070 12.9068 12.9068 k = 0.4434 0.4434 0.5324 ( 5930 PWs) bands (ev): -63.3644 -63.3644 -35.4903 -35.4903 -34.5597 -34.5597 -34.4694 -34.4694 -23.0689 -23.0689 -17.2544 -17.2544 -16.7065 -16.7065 -16.6974 -16.6974 -6.8587 -6.8587 -6.6132 -6.6132 -6.5839 -6.5839 -0.8606 -0.8606 0.3013 0.3013 0.6525 0.6525 0.6736 0.6736 0.7415 0.7415 1.1769 1.1769 2.4721 2.4721 2.4915 2.4915 2.5692 2.5692 8.4296 8.4296 8.5455 8.5455 8.5875 8.5875 10.1185 10.1185 10.5964 10.5964 12.9199 12.9200 k = 0.4340 0.4340 0.5324 ( 5926 PWs) bands (ev): -63.3641 -63.3641 -35.4902 -35.4902 -34.5596 -34.5596 -34.4693 -34.4693 -23.0690 -23.0690 -17.2545 -17.2545 -16.7091 -16.7091 -16.6974 -16.6974 -6.8570 -6.8570 -6.6115 -6.6115 -6.5817 -6.5817 -0.8554 -0.8554 0.3078 0.3078 0.6512 0.6512 0.6768 0.6768 0.7459 0.7459 1.1837 1.1837 2.4663 2.4663 2.4872 2.4872 2.5607 2.5607 8.4214 8.4214 8.5419 8.5419 8.5839 8.5839 10.0974 10.0974 10.5844 10.5844 12.9317 12.9317 k = 0.4245 0.4245 0.5324 ( 5930 PWs) bands (ev): -63.3644 -63.3644 -35.4902 -35.4902 -34.5596 -34.5596 -34.4692 -34.4692 -23.0692 -23.0692 -17.2547 -17.2547 -16.7120 -16.7120 -16.6972 -16.6972 -6.8551 -6.8551 -6.6096 -6.6096 -6.5793 -6.5793 -0.8495 -0.8495 0.3155 0.3155 0.6496 0.6496 0.6808 0.6808 0.7507 0.7507 1.1916 1.1916 2.4595 2.4595 2.4824 2.4824 2.5510 2.5510 8.4116 8.4116 8.5362 8.5362 8.5783 8.5783 10.0704 10.0704 10.5714 10.5714 12.9431 12.9431 k = 0.4151 0.4151 0.5324 ( 5926 PWs) bands (ev): -63.3641 -63.3641 -35.4901 -35.4901 -34.5595 -34.5595 -34.4691 -34.4691 -23.0693 -23.0693 -17.2549 -17.2549 -16.7154 -16.7154 -16.6971 -16.6971 -6.8530 -6.8530 -6.6076 -6.6076 -6.5766 -6.5766 -0.8430 -0.8430 0.3241 0.3241 0.6478 0.6478 0.6854 0.6854 0.7562 0.7562 1.2005 1.2005 2.4516 2.4516 2.4772 2.4772 2.5403 2.5403 8.4006 8.4006 8.5321 8.5321 8.5743 8.5743 10.0427 10.0427 10.5562 10.5562 12.9548 12.9548 k = 0.4057 0.4057 0.5324 ( 5934 PWs) bands (ev): -63.3646 -63.3646 -35.4901 -35.4901 -34.5595 -34.5595 -34.4690 -34.4690 -23.0695 -23.0695 -17.2551 -17.2551 -16.7192 -16.7192 -16.6968 -16.6968 -6.8506 -6.8506 -6.6053 -6.6053 -6.5736 -6.5736 -0.8360 -0.8360 0.3334 0.3334 0.6460 0.6460 0.6906 0.6906 0.7622 0.7622 1.2106 1.2106 2.4427 2.4427 2.4714 2.4714 2.5285 2.5285 8.3874 8.3874 8.5257 8.5257 8.5680 8.5680 10.0108 10.0108 10.5366 10.5366 12.9671 12.9671 k = 0.3962 0.3962 0.5324 ( 5926 PWs) bands (ev): -63.3641 -63.3641 -35.4900 -35.4900 -34.5594 -34.5594 -34.4688 -34.4688 -23.0697 -23.0697 -17.2553 -17.2553 -16.7233 -16.7233 -16.6966 -16.6966 -6.8481 -6.8481 -6.6029 -6.6029 -6.5704 -6.5704 -0.8283 -0.8283 0.3442 0.3442 0.6442 0.6442 0.6965 0.6965 0.7689 0.7689 1.2217 1.2217 2.4328 2.4328 2.4651 2.4651 2.5159 2.5159 8.3750 8.3750 8.5188 8.5188 8.5620 8.5620 9.9798 9.9798 10.5210 10.5210 12.9799 12.9799 k = 0.3868 0.3868 0.5324 ( 5930 PWs) bands (ev): -63.3643 -63.3643 -35.4900 -35.4900 -34.5594 -34.5594 -34.4687 -34.4687 -23.0699 -23.0699 -17.2555 -17.2555 -16.7277 -16.7277 -16.6963 -16.6963 -6.8454 -6.8454 -6.6003 -6.6003 -6.5669 -6.5669 -0.8202 -0.8202 0.3556 0.3556 0.6425 0.6425 0.7030 0.7030 0.7758 0.7758 1.2340 1.2340 2.4220 2.4220 2.4583 2.4583 2.5025 2.5025 8.3606 8.3606 8.5122 8.5122 8.5557 8.5557 9.9423 9.9423 10.4995 10.4995 12.9930 12.9930 k = 0.3774 0.3774 0.5324 ( 5932 PWs) bands (ev): -63.3645 -63.3645 -35.4899 -35.4899 -34.5593 -34.5593 -34.4686 -34.4686 -23.0702 -23.0702 -17.2557 -17.2557 -16.7325 -16.7325 -16.6959 -16.6959 -6.8426 -6.8426 -6.5975 -6.5975 -6.5632 -6.5632 -0.8118 -0.8118 0.3679 0.3679 0.6411 0.6411 0.7101 0.7101 0.7832 0.7832 1.2473 1.2473 2.4103 2.4103 2.4508 2.4508 2.4885 2.4885 8.3443 8.3443 8.5050 8.5050 8.5490 8.5490 9.9048 9.9048 10.4768 10.4768 13.0063 13.0063 k = 0.3679 0.3679 0.5324 ( 5936 PWs) bands (ev): -63.3647 -63.3647 -35.4899 -35.4899 -34.5593 -34.5593 -34.4685 -34.4685 -23.0704 -23.0704 -17.2559 -17.2559 -16.7375 -16.7375 -16.6956 -16.6956 -6.8396 -6.8396 -6.5946 -6.5946 -6.5594 -6.5594 -0.8030 -0.8030 0.3812 0.3812 0.6399 0.6399 0.7178 0.7178 0.7909 0.7909 1.2618 1.2618 2.3976 2.3976 2.4427 2.4427 2.4740 2.4740 8.3280 8.3280 8.4975 8.4975 8.5419 8.5419 9.8634 9.8634 10.4522 10.4522 13.0196 13.0196 k = 0.3585 0.3585 0.5324 ( 5936 PWs) bands (ev): -63.3647 -63.3647 -35.4898 -35.4898 -34.5592 -34.5592 -34.4683 -34.4683 -23.0707 -23.0707 -17.2561 -17.2561 -16.7428 -16.7428 -16.6952 -16.6952 -6.8365 -6.8365 -6.5916 -6.5916 -6.5553 -6.5553 -0.7938 -0.7938 0.3954 0.3954 0.6392 0.6392 0.7260 0.7260 0.7990 0.7990 1.2774 1.2774 2.3842 2.3842 2.4337 2.4337 2.4593 2.4593 8.3108 8.3108 8.4898 8.4898 8.5345 8.5345 9.8224 9.8224 10.4268 10.4268 13.0330 13.0330 k = 0.3491 0.3491 0.5324 ( 5948 PWs) bands (ev): -63.3655 -63.3655 -35.4898 -35.4898 -34.5592 -34.5592 -34.4683 -34.4683 -23.0709 -23.0709 -17.2564 -17.2564 -16.7484 -16.7484 -16.6948 -16.6948 -6.8332 -6.8332 -6.5884 -6.5884 -6.5512 -6.5512 -0.7846 -0.7846 0.4103 0.4103 0.6389 0.6389 0.7348 0.7348 0.8071 0.8071 1.2941 1.2941 2.3699 2.3699 2.4236 2.4236 2.4447 2.4447 8.2921 8.2921 8.4814 8.4814 8.5264 8.5264 9.7748 9.7748 10.3983 10.3983 13.0460 13.0460 k = 0.3396 0.3396 0.5324 ( 5952 PWs) bands (ev): -63.3657 -63.3657 -35.4897 -35.4897 -34.5592 -34.5592 -34.4682 -34.4682 -23.0712 -23.0712 -17.2566 -17.2566 -16.7543 -16.7543 -16.6944 -16.6944 -6.8299 -6.8299 -6.5852 -6.5852 -6.5469 -6.5469 -0.7751 -0.7751 0.4261 0.4261 0.6392 0.6392 0.7442 0.7442 0.8157 0.8157 1.3119 1.3119 2.3548 2.3548 2.4119 2.4119 2.4308 2.4308 8.2725 8.2725 8.4727 8.4727 8.5177 8.5177 9.7304 9.7304 10.3700 10.3700 13.0587 13.0587 k = 0.3302 0.3302 0.5324 ( 5952 PWs) bands (ev): -63.3657 -63.3657 -35.4896 -35.4896 -34.5591 -34.5591 -34.4680 -34.4680 -23.0715 -23.0715 -17.2568 -17.2568 -16.7603 -16.7603 -16.6940 -16.6940 -6.8265 -6.8265 -6.5818 -6.5818 -6.5426 -6.5426 -0.7654 -0.7654 0.4426 0.4426 0.6402 0.6402 0.7541 0.7541 0.8245 0.8245 1.3309 1.3309 2.3390 2.3390 2.3986 2.3986 2.4178 2.4178 8.2530 8.2530 8.4640 8.4640 8.5095 8.5095 9.6857 9.6857 10.3407 10.3407 13.0707 13.0707 k = 0.3208 0.3208 0.5324 ( 5956 PWs) bands (ev): -63.3660 -63.3660 -35.4896 -35.4896 -34.5591 -34.5591 -34.4678 -34.4678 -23.0718 -23.0718 -17.2570 -17.2570 -16.7666 -16.7666 -16.6935 -16.6935 -6.8230 -6.8230 -6.5784 -6.5784 -6.5382 -6.5382 -0.7557 -0.7557 0.4598 0.4598 0.6418 0.6418 0.7646 0.7646 0.8334 0.8334 1.3511 1.3511 2.3225 2.3225 2.3837 2.3837 2.4056 2.4056 8.2320 8.2320 8.4542 8.4542 8.5008 8.5008 9.6395 9.6395 10.3099 10.3099 13.0822 13.0822 k = 0.3113 0.3113 0.5324 ( 5962 PWs) bands (ev): -63.3663 -63.3663 -35.4895 -35.4895 -34.5591 -34.5591 -34.4677 -34.4677 -23.0722 -23.0722 -17.2572 -17.2572 -16.7730 -16.7730 -16.6930 -16.6930 -6.8195 -6.8195 -6.5749 -6.5749 -6.5338 -6.5338 -0.7459 -0.7459 0.4776 0.4776 0.6443 0.6443 0.7757 0.7757 0.8423 0.8423 1.3723 1.3723 2.3052 2.3052 2.3681 2.3681 2.3937 2.3937 8.2104 8.2104 8.4428 8.4428 8.4927 8.4927 9.5929 9.5929 10.2770 10.2770 13.0929 13.0929 k = 0.3019 0.3019 0.5324 ( 5966 PWs) bands (ev): -63.3666 -63.3666 -35.4895 -35.4895 -34.5590 -34.5590 -34.4675 -34.4675 -23.0725 -23.0725 -17.2573 -17.2573 -16.7795 -16.7795 -16.6925 -16.6925 -6.8160 -6.8160 -6.5714 -6.5714 -6.5294 -6.5294 -0.7363 -0.7363 0.4960 0.4960 0.6477 0.6477 0.7873 0.7873 0.8511 0.8511 1.3947 1.3947 2.2873 2.2873 2.3520 2.3520 2.3817 2.3817 8.1885 8.1885 8.4336 8.4336 8.4838 8.4838 9.5443 9.5443 10.2436 10.2436 13.1027 13.1027 k = 0.2925 0.2925 0.5324 ( 5978 PWs) bands (ev): -63.3674 -63.3674 -35.4895 -35.4895 -34.5591 -34.5591 -34.4674 -34.4674 -23.0729 -23.0729 -17.2575 -17.2575 -16.7862 -16.7862 -16.6920 -16.6920 -6.8124 -6.8124 -6.5678 -6.5678 -6.5251 -6.5251 -0.7268 -0.7268 0.5147 0.5147 0.6521 0.6521 0.7993 0.7993 0.8597 0.8597 1.4182 1.4182 2.2688 2.2688 2.3358 2.3358 2.3696 2.3696 8.1666 8.1666 8.4237 8.4237 8.4741 8.4741 9.4932 9.4932 10.2064 10.2064 13.1115 13.1115 k = 0.2830 0.2830 0.5324 ( 5978 PWs) bands (ev): -63.3674 -63.3674 -35.4894 -35.4894 -34.5590 -34.5590 -34.4672 -34.4672 -23.0732 -23.0732 -17.2576 -17.2576 -16.7930 -16.7930 -16.6915 -16.6915 -6.8089 -6.8089 -6.5642 -6.5642 -6.5208 -6.5208 -0.7172 -0.7172 0.5339 0.5339 0.6576 0.6576 0.8119 0.8119 0.8683 0.8683 1.4428 1.4428 2.2496 2.2496 2.3198 2.3198 2.3570 2.3570 8.1445 8.1445 8.4149 8.4149 8.4650 8.4650 9.4449 9.4449 10.1714 10.1714 13.1196 13.1196 k = 0.2736 0.2736 0.5324 ( 5978 PWs) bands (ev): -63.3673 -63.3673 -35.4892 -35.4892 -34.5589 -34.5589 -34.4669 -34.4669 -23.0736 -23.0736 -17.2578 -17.2578 -16.7998 -16.7998 -16.6910 -16.6910 -6.8053 -6.8053 -6.5605 -6.5605 -6.5166 -6.5166 -0.7079 -0.7079 0.5535 0.5535 0.6641 0.6641 0.8250 0.8250 0.8767 0.8767 1.4685 1.4685 2.2298 2.2298 2.3041 2.3041 2.3441 2.3441 8.1221 8.1221 8.4059 8.4059 8.4559 8.4559 9.3966 9.3966 10.1355 10.1355 13.1268 13.1268 k = 0.2642 0.2642 0.5324 ( 5970 PWs) bands (ev): -63.3668 -63.3668 -35.4891 -35.4891 -34.5588 -34.5588 -34.4666 -34.4666 -23.0739 -23.0739 -17.2579 -17.2579 -16.8067 -16.8067 -16.6905 -16.6905 -6.8018 -6.8018 -6.5569 -6.5569 -6.5125 -6.5125 -0.6986 -0.6986 0.5732 0.5732 0.6719 0.6719 0.8386 0.8386 0.8849 0.8849 1.4951 1.4951 2.2094 2.2094 2.2889 2.2889 2.3307 2.3307 8.1007 8.1007 8.3978 8.3978 8.4476 8.4476 9.3510 9.3510 10.0987 10.0987 13.1331 13.1331 k = 0.2547 0.2547 0.5324 ( 5966 PWs) bands (ev): -63.3665 -63.3665 -35.4889 -35.4889 -34.5587 -34.5587 -34.4663 -34.4663 -23.0743 -23.0743 -17.2579 -17.2579 -16.8136 -16.8136 -16.6900 -16.6900 -6.7983 -6.7983 -6.5532 -6.5532 -6.5086 -6.5086 -0.6896 -0.6896 0.5932 0.5932 0.6808 0.6808 0.8525 0.8525 0.8928 0.8928 1.5227 1.5227 2.1883 2.1883 2.2742 2.2742 2.3170 2.3170 8.0777 8.0777 8.3895 8.3895 8.4388 8.4388 9.3046 9.3046 10.0617 10.0617 13.1166 13.1166 k = 0.2453 0.2453 0.5324 ( 5966 PWs) bands (ev): -63.3665 -63.3665 -35.4888 -35.4888 -34.5586 -34.5586 -34.4661 -34.4661 -23.0747 -23.0747 -17.2580 -17.2580 -16.8206 -16.8206 -16.6895 -16.6895 -6.7949 -6.7949 -6.5496 -6.5496 -6.5048 -6.5048 -0.6809 -0.6809 0.6131 0.6131 0.6910 0.6910 0.8668 0.8668 0.9001 0.9001 1.5512 1.5512 2.1667 2.1667 2.2601 2.2601 2.3028 2.3028 8.0551 8.0551 8.3824 8.3824 8.4298 8.4298 9.2549 9.2549 10.0233 10.0233 13.0824 13.0824 k = 0.2358 0.2358 0.5324 ( 5970 PWs) bands (ev): -63.3668 -63.3668 -35.4887 -35.4887 -34.5585 -34.5585 -34.4659 -34.4659 -23.0750 -23.0750 -17.2580 -17.2580 -16.8275 -16.8275 -16.6889 -16.6889 -6.7915 -6.7915 -6.5460 -6.5460 -6.5012 -6.5012 -0.6725 -0.6725 0.6330 0.6330 0.7023 0.7023 0.8813 0.8813 0.9072 0.9072 1.5805 1.5805 2.1445 2.1445 2.2469 2.2469 2.2883 2.2883 8.0319 8.0319 8.3736 8.3736 8.4207 8.4207 9.2053 9.2053 9.9845 9.9845 13.0448 13.0448 k = 0.2264 0.2264 0.5324 ( 5966 PWs) bands (ev): -63.3665 -63.3665 -35.4886 -35.4886 -34.5584 -34.5584 -34.4656 -34.4656 -23.0754 -23.0754 -17.2581 -17.2581 -16.8343 -16.8343 -16.6884 -16.6884 -6.7883 -6.7883 -6.5425 -6.5425 -6.4978 -6.4978 -0.6643 -0.6643 0.6528 0.6528 0.7150 0.7150 0.8958 0.8958 0.9143 0.9143 1.6105 1.6105 2.1217 2.1217 2.2344 2.2344 2.2733 2.2733 8.0099 8.0099 8.3656 8.3656 8.4120 8.4120 9.1589 9.1589 9.9462 9.9462 13.0045 13.0045 k = 0.2170 0.2170 0.5324 ( 5970 PWs) bands (ev): -63.3668 -63.3668 -35.4885 -35.4885 -34.5583 -34.5583 -34.4654 -34.4654 -23.0758 -23.0758 -17.2581 -17.2581 -16.8411 -16.8411 -16.6879 -16.6879 -6.7851 -6.7851 -6.5390 -6.5390 -6.4945 -6.4945 -0.6564 -0.6564 0.6724 0.6724 0.7289 0.7289 0.9092 0.9092 0.9222 0.9222 1.6412 1.6412 2.0984 2.0984 2.2228 2.2228 2.2581 2.2581 7.9858 7.9858 8.3575 8.3575 8.4027 8.4027 9.1116 9.1116 9.9069 9.9069 12.9620 12.9620 k = 0.2075 0.2075 0.5324 ( 5966 PWs) bands (ev): -63.3665 -63.3665 -35.4884 -35.4884 -34.5582 -34.5582 -34.4651 -34.4651 -23.0762 -23.0762 -17.2580 -17.2580 -16.8478 -16.8478 -16.6874 -16.6874 -6.7820 -6.7820 -6.5356 -6.5356 -6.4914 -6.4914 -0.6487 -0.6487 0.6917 0.6917 0.7441 0.7441 0.9189 0.9189 0.9336 0.9336 1.6723 1.6723 2.0745 2.0745 2.2120 2.2120 2.2427 2.2427 7.9645 7.9645 8.3494 8.3494 8.3941 8.3941 9.0664 9.0664 9.8686 9.8686 12.9179 12.9179 k = 0.1981 0.1981 0.5324 ( 5966 PWs) bands (ev): -63.3665 -63.3665 -35.4883 -35.4883 -34.5581 -34.5581 -34.4649 -34.4649 -23.0765 -23.0765 -17.2580 -17.2580 -16.8543 -16.8543 -16.6869 -16.6869 -6.7790 -6.7790 -6.5323 -6.5323 -6.4885 -6.4885 -0.6414 -0.6414 0.7107 0.7107 0.7605 0.7605 0.9250 0.9250 0.9483 0.9483 1.7038 1.7038 2.0500 2.0500 2.2021 2.2021 2.2272 2.2272 7.9418 7.9418 8.3410 8.3410 8.3856 8.3856 9.0222 9.0222 9.8300 9.8300 12.8726 12.8726 k = 0.1887 0.1887 0.5324 ( 5958 PWs) bands (ev): -63.3659 -63.3659 -35.4881 -35.4881 -34.5580 -34.5580 -34.4646 -34.4646 -23.0769 -23.0769 -17.2579 -17.2579 -16.8608 -16.8608 -16.6864 -16.6864 -6.7761 -6.7761 -6.5291 -6.5291 -6.4858 -6.4858 -0.6344 -0.6344 0.7293 0.7293 0.7782 0.7782 0.9295 0.9295 0.9642 0.9642 1.7355 1.7355 2.0251 2.0251 2.1926 2.1926 2.2120 2.2120 7.9202 7.9202 8.3352 8.3352 8.3786 8.3786 8.9798 8.9798 9.7916 9.7916 12.8267 12.8267 k = 0.1792 0.1792 0.5324 ( 5950 PWs) bands (ev): -63.3654 -63.3654 -35.4879 -35.4879 -34.5578 -34.5578 -34.4643 -34.4643 -23.0773 -23.0773 -17.2579 -17.2579 -16.8670 -16.8670 -16.6859 -16.6859 -6.7734 -6.7734 -6.5260 -6.5260 -6.4833 -6.4833 -0.6276 -0.6276 0.7474 0.7474 0.7971 0.7971 0.9332 0.9332 0.9806 0.9806 1.7672 1.7672 1.9997 1.9997 2.1827 2.1827 2.1979 2.1979 7.8995 7.8995 8.3279 8.3279 8.3707 8.3707 8.9402 8.9402 9.7544 9.7544 12.7805 12.7805 k = 0.1698 0.1698 0.5324 ( 5958 PWs) bands (ev): -63.3659 -63.3659 -35.4879 -35.4879 -34.5578 -34.5578 -34.4641 -34.4641 -23.0776 -23.0776 -17.2578 -17.2578 -16.8731 -16.8731 -16.6854 -16.6854 -6.7707 -6.7707 -6.5230 -6.5230 -6.4810 -6.4810 -0.6213 -0.6213 0.7649 0.7649 0.8170 0.8170 0.9359 0.9359 0.9973 0.9973 1.7988 1.7988 1.9739 1.9739 2.1706 2.1706 2.1869 2.1869 7.8781 7.8781 8.3193 8.3193 8.3619 8.3619 8.8966 8.8966 9.7164 9.7164 12.7345 12.7345 k = 0.1604 0.1604 0.5324 ( 5964 PWs) bands (ev): -63.3663 -63.3663 -35.4878 -35.4878 -34.5578 -34.5578 -34.4640 -34.4640 -23.0779 -23.0779 -17.2577 -17.2577 -16.8790 -16.8790 -16.6849 -16.6849 -6.7683 -6.7683 -6.5201 -6.5201 -6.4789 -6.4789 -0.6153 -0.6153 0.7818 0.7818 0.8381 0.8381 0.9380 0.9380 1.0142 1.0142 1.8298 1.8298 1.9480 1.9480 2.1560 2.1560 2.1792 2.1792 7.8568 7.8568 8.3116 8.3116 8.3532 8.3532 8.8548 8.8548 9.6802 9.6802 12.6891 12.6891 k = 0.1509 0.1509 0.5324 ( 5958 PWs) bands (ev): -63.3659 -63.3659 -35.4877 -35.4877 -34.5577 -34.5577 -34.4638 -34.4638 -23.0783 -23.0783 -17.2575 -17.2575 -16.8846 -16.8846 -16.6845 -16.6845 -6.7659 -6.7659 -6.5174 -6.5174 -6.4769 -6.4769 -0.6096 -0.6096 0.7980 0.7980 0.8603 0.8603 0.9396 0.9396 1.0311 1.0311 1.8595 1.8595 1.9226 1.9226 2.1402 2.1402 2.1737 2.1737 7.8365 7.8365 8.3061 8.3061 8.3469 8.3469 8.8177 8.8177 9.6450 9.6450 12.6445 12.6445 k = 0.1415 0.1415 0.5324 ( 5966 PWs) bands (ev): -63.3664 -63.3664 -35.4877 -35.4877 -34.5577 -34.5577 -34.4637 -34.4637 -23.0786 -23.0786 -17.2574 -17.2574 -16.8901 -16.8901 -16.6841 -16.6841 -6.7637 -6.7637 -6.5148 -6.5148 -6.4751 -6.4751 -0.6044 -0.6044 0.8134 0.8134 0.8834 0.8834 0.9407 0.9407 1.0480 1.0480 1.8789 1.8789 1.9064 1.9064 2.1240 2.1240 2.1695 2.1695 7.8153 7.8153 8.2983 8.2983 8.3392 8.3392 8.7803 8.7803 9.6096 9.6096 12.6012 12.6012 k = 0.1321 0.1321 0.5324 ( 5956 PWs) bands (ev): -63.3657 -63.3657 -35.4875 -35.4875 -34.5575 -34.5575 -34.4634 -34.4634 -23.0789 -23.0789 -17.2573 -17.2573 -16.8952 -16.8952 -16.6836 -16.6836 -6.7617 -6.7617 -6.5124 -6.5124 -6.4734 -6.4734 -0.5992 -0.5992 0.8280 0.8280 0.9074 0.9074 0.9414 0.9414 1.0647 1.0647 1.8614 1.8614 1.9259 1.9259 2.1077 2.1077 2.1663 2.1663 7.7990 7.7990 8.2932 8.2932 8.3333 8.3333 8.7459 8.7459 9.5776 9.5776 12.5593 12.5593 k = 0.1226 0.1226 0.5324 ( 5960 PWs) bands (ev): -63.3660 -63.3660 -35.4874 -35.4874 -34.5575 -34.5575 -34.4633 -34.4633 -23.0792 -23.0792 -17.2572 -17.2572 -16.9001 -16.9001 -16.6833 -16.6833 -6.7597 -6.7597 -6.5101 -6.5101 -6.4719 -6.4719 -0.5946 -0.5946 0.8418 0.8418 0.9320 0.9320 0.9418 0.9418 1.0812 1.0812 1.8350 1.8350 1.9531 1.9531 2.0916 2.0916 2.1639 2.1639 7.7809 7.7809 8.2866 8.2866 8.3261 8.3261 8.7122 8.7122 9.5454 9.5454 12.5192 12.5192 k = 0.1132 0.1132 0.5324 ( 5962 PWs) bands (ev): -63.3661 -63.3661 -35.4874 -35.4874 -34.5574 -34.5574 -34.4632 -34.4632 -23.0795 -23.0795 -17.2570 -17.2570 -16.9046 -16.9046 -16.6829 -16.6829 -6.7580 -6.7580 -6.5081 -6.5081 -6.4705 -6.4705 -0.5903 -0.5903 0.8546 0.8546 0.9411 0.9411 0.9580 0.9580 1.0975 1.0975 1.8074 1.8074 1.9801 1.9801 2.0758 2.0758 2.1623 2.1623 7.7628 7.7628 8.2817 8.2817 8.3208 8.3208 8.6807 8.6807 9.5143 9.5143 12.4811 12.4811 k = 0.1038 0.1038 0.5324 ( 5966 PWs) bands (ev): -63.3664 -63.3664 -35.4874 -35.4874 -34.5574 -34.5574 -34.4631 -34.4631 -23.0797 -23.0797 -17.2569 -17.2569 -16.9089 -16.9089 -16.6826 -16.6826 -6.7564 -6.7564 -6.5061 -6.5061 -6.4693 -6.4693 -0.5864 -0.5864 0.8666 0.8666 0.9409 0.9409 0.9839 0.9839 1.1133 1.1133 1.7794 1.7794 2.0057 2.0057 2.0606 2.0606 2.1613 2.1613 7.7457 7.7457 8.2759 8.2759 8.3150 8.3150 8.6515 8.6515 9.4854 9.4854 12.4452 12.4452 k = 0.0943 0.0943 0.5324 ( 5976 PWs) bands (ev): -63.3670 -63.3670 -35.4874 -35.4874 -34.5575 -34.5575 -34.4630 -34.4630 -23.0800 -23.0800 -17.2568 -17.2568 -16.9129 -16.9129 -16.6822 -16.6822 -6.7549 -6.7549 -6.5044 -6.5044 -6.4681 -6.4681 -0.5828 -0.5828 0.8776 0.8776 0.9403 0.9403 1.0101 1.0101 1.1284 1.1284 1.7514 1.7514 2.0290 2.0290 2.0467 2.0467 2.1609 2.1609 7.7309 7.7309 8.2702 8.2702 8.3080 8.3080 8.6224 8.6224 9.4569 9.4569 12.4117 12.4117 k = 0.0849 0.0849 0.5324 ( 5976 PWs) bands (ev): -63.3670 -63.3670 -35.4873 -35.4873 -34.5574 -34.5574 -34.4629 -34.4629 -23.0802 -23.0802 -17.2566 -17.2566 -16.9165 -16.9165 -16.6820 -16.6820 -6.7536 -6.7536 -6.5029 -6.5029 -6.4671 -6.4671 -0.5795 -0.5795 0.8876 0.8876 0.9396 0.9396 1.0365 1.0365 1.1430 1.1430 1.7234 1.7234 2.0301 2.0301 2.0539 2.0539 2.1611 2.1611 7.7170 7.7170 8.2659 8.2659 8.3035 8.3035 8.5981 8.5981 9.4320 9.4320 12.3808 12.3808 k = 0.0755 0.0755 0.5324 ( 5972 PWs) bands (ev): -63.3668 -63.3668 -35.4872 -35.4872 -34.5574 -34.5574 -34.4627 -34.4627 -23.0804 -23.0804 -17.2565 -17.2565 -16.9197 -16.9197 -16.6817 -16.6817 -6.7524 -6.7524 -6.5015 -6.5015 -6.4662 -6.4662 -0.5766 -0.5766 0.8965 0.8965 0.9389 0.9389 1.0627 1.0627 1.1568 1.1568 1.6958 1.6958 2.0174 2.0174 2.0737 2.0737 2.1617 2.1617 7.7053 7.7053 8.2628 8.2628 8.3001 8.3001 8.5762 8.5762 9.4094 9.4094 12.3528 12.3528 k = 0.0660 0.0660 0.5324 ( 5976 PWs) bands (ev): -63.3670 -63.3670 -35.4872 -35.4872 -34.5574 -34.5574 -34.4627 -34.4627 -23.0806 -23.0806 -17.2564 -17.2564 -16.9226 -16.9226 -16.6815 -16.6815 -6.7514 -6.7514 -6.5003 -6.5003 -6.4654 -6.4654 -0.5740 -0.5740 0.9043 0.9043 0.9382 0.9382 1.0883 1.0883 1.1698 1.1698 1.6688 1.6688 2.0053 2.0053 2.0917 2.0917 2.1628 2.1628 7.6934 7.6934 8.2590 8.2590 8.2962 8.2962 8.5562 8.5562 9.3883 9.3883 12.3276 12.3276 k = 0.0566 0.0566 0.5324 ( 5984 PWs) bands (ev): -63.3675 -63.3675 -35.4872 -35.4872 -34.5574 -34.5574 -34.4627 -34.4627 -23.0807 -23.0807 -17.2563 -17.2563 -16.9252 -16.9252 -16.6813 -16.6813 -6.7505 -6.7505 -6.4992 -6.4992 -6.4648 -6.4648 -0.5719 -0.5719 0.9109 0.9109 0.9377 0.9377 1.1128 1.1128 1.1818 1.1818 1.6428 1.6428 1.9943 1.9943 2.1072 2.1072 2.1644 2.1644 7.6825 7.6825 8.2552 8.2552 8.2922 8.2922 8.5371 8.5371 9.3700 9.3700 12.3056 12.3056 k = 0.0472 0.0472 0.5324 ( 5988 PWs) bands (ev): -63.3677 -63.3677 -35.4872 -35.4872 -34.5574 -34.5574 -34.4627 -34.4627 -23.0809 -23.0809 -17.2562 -17.2562 -16.9273 -16.9273 -16.6811 -16.6811 -6.7497 -6.7497 -6.4984 -6.4984 -6.4642 -6.4642 -0.5700 -0.5700 0.9163 0.9163 0.9374 0.9374 1.1355 1.1355 1.1930 1.1930 1.6182 1.6182 1.9846 1.9846 2.1198 2.1198 2.1665 2.1665 7.6722 7.6722 8.2527 8.2527 8.2895 8.2895 8.5224 8.5224 9.3543 9.3543 12.2867 12.2867 k = 0.0377 0.0377 0.5324 ( 5986 PWs) bands (ev): -63.3676 -63.3676 -35.4872 -35.4872 -34.5574 -34.5574 -34.4626 -34.4626 -23.0810 -23.0810 -17.2562 -17.2562 -16.9291 -16.9291 -16.6809 -16.6809 -6.7491 -6.7491 -6.4976 -6.4976 -6.4637 -6.4637 -0.5685 -0.5685 0.9203 0.9203 0.9375 0.9375 1.1555 1.1555 1.2034 1.2034 1.5958 1.5958 1.9764 1.9764 2.1295 2.1295 2.1693 2.1693 7.6649 7.6649 8.2509 8.2509 8.2876 8.2876 8.5128 8.5128 9.3406 9.3406 12.2711 12.2711 k = 0.0283 0.0283 0.5324 ( 5986 PWs) bands (ev): -63.3676 -63.3676 -35.4872 -35.4872 -34.5573 -34.5573 -34.4625 -34.4625 -23.0811 -23.0811 -17.2561 -17.2561 -16.9305 -16.9305 -16.6808 -16.6808 -6.7487 -6.7487 -6.4971 -6.4971 -6.4633 -6.4633 -0.5673 -0.5673 0.9231 0.9231 0.9380 0.9380 1.1716 1.1716 1.2130 1.2130 1.5764 1.5764 1.9699 1.9699 2.1363 2.1363 2.1724 2.1724 7.6588 7.6588 8.2498 8.2498 8.2865 8.2865 8.5033 8.5033 9.3305 9.3305 12.2589 12.2589 k = 0.0189 0.0189 0.5324 ( 5982 PWs) bands (ev): -63.3673 -63.3673 -35.4871 -35.4871 -34.5573 -34.5573 -34.4624 -34.4624 -23.0811 -23.0811 -17.2561 -17.2561 -16.9315 -16.9315 -16.6807 -16.6807 -6.7483 -6.7483 -6.4967 -6.4967 -6.4631 -6.4631 -0.5663 -0.5663 0.9247 0.9247 0.9386 0.9386 1.1829 1.1829 1.2215 1.2215 1.5612 1.5612 1.9651 1.9651 2.1405 2.1405 2.1752 2.1752 7.6565 7.6565 8.2480 8.2480 8.2847 8.2847 8.4978 8.4978 9.3242 9.3242 12.2502 12.2502 k = 0.0094 0.0094 0.5324 ( 5980 PWs) bands (ev): -63.3671 -63.3671 -35.4871 -35.4871 -34.5573 -34.5573 -34.4623 -34.4623 -23.0812 -23.0812 -17.2560 -17.2560 -16.9321 -16.9321 -16.6807 -16.6807 -6.7481 -6.7481 -6.4965 -6.4965 -6.4629 -6.4629 -0.5657 -0.5657 0.9254 0.9254 0.9392 0.9392 1.1894 1.1894 1.2276 1.2276 1.5514 1.5514 1.9622 1.9622 2.1428 2.1428 2.1772 2.1772 7.6556 7.6556 8.2470 8.2470 8.2836 8.2836 8.4941 8.4941 9.3201 9.3201 12.2449 12.2449 k = 0.0000 0.0000 0.5324 ( 5974 PWs) bands (ev): -63.3667 -63.3667 -35.4871 -35.4871 -34.5574 -34.5574 -34.4621 -34.4621 -23.0812 -23.0812 -17.2560 -17.2560 -16.9323 -16.9323 -16.6807 -16.6807 -6.7481 -6.7481 -6.4964 -6.4964 -6.4629 -6.4629 -0.5653 -0.5653 0.9257 0.9257 0.9394 0.9394 1.1915 1.1915 1.2298 1.2298 1.5480 1.5480 1.9613 1.9613 2.1435 2.1435 2.1780 2.1780 7.6569 7.6569 8.2452 8.2452 8.2819 8.2819 8.4980 8.4980 9.3181 9.3181 12.2431 12.2431 k = 0.0000 0.5000-0.0000 ( 5974 PWs) bands (ev): -63.3678 -63.3678 -35.4820 -35.4820 -34.5462 -34.5462 -34.4667 -34.4667 -23.0881 -23.0881 -17.4945 -17.4945 -16.7786 -16.7786 -16.7014 -16.7014 -6.7362 -6.7362 -6.4876 -6.4876 -6.4467 -6.4467 0.3256 0.3256 0.4937 0.4937 0.6908 0.6908 1.1821 1.1821 1.8228 1.8228 1.8699 1.8699 1.8824 1.8824 1.9305 1.9305 2.1366 2.1366 7.5860 7.5860 8.0295 8.0295 8.0991 8.0991 8.5398 8.5398 9.3573 9.3573 11.9895 11.9895 k = 0.0000 0.5000 0.0133 ( 5974 PWs) bands (ev): -63.3678 -63.3678 -35.4820 -35.4820 -34.5462 -34.5462 -34.4667 -34.4667 -23.0881 -23.0881 -17.4941 -17.4941 -16.7787 -16.7787 -16.7014 -16.7014 -6.7363 -6.7363 -6.4876 -6.4876 -6.4468 -6.4468 0.3242 0.3242 0.4934 0.4934 0.6911 0.6911 1.1799 1.1799 1.8224 1.8224 1.8630 1.8630 1.8915 1.8915 1.9297 1.9297 2.1360 2.1360 7.5878 7.5878 8.0299 8.0299 8.0987 8.0987 8.5410 8.5410 9.3588 9.3588 11.9914 11.9914 k = 0.0000 0.5000 0.0266 ( 5970 PWs) bands (ev): -63.3675 -63.3675 -35.4820 -35.4820 -34.5461 -34.5461 -34.4667 -34.4667 -23.0880 -23.0880 -17.4931 -17.4931 -16.7787 -16.7787 -16.7014 -16.7014 -6.7365 -6.7365 -6.4877 -6.4877 -6.4473 -6.4473 0.3201 0.3201 0.4925 0.4925 0.6919 0.6919 1.1735 1.1735 1.8212 1.8212 1.8542 1.8542 1.9068 1.9068 1.9274 1.9274 2.1343 2.1343 7.5918 7.5918 8.0321 8.0321 8.0989 8.0989 8.5451 8.5451 9.3646 9.3646 11.9971 11.9971 k = 0.0000 0.5000 0.0399 ( 5966 PWs) bands (ev): -63.3672 -63.3672 -35.4820 -35.4820 -34.5462 -34.5462 -34.4667 -34.4667 -23.0879 -23.0879 -17.4915 -17.4915 -16.7788 -16.7788 -16.7015 -16.7015 -6.7368 -6.7368 -6.4878 -6.4878 -6.4481 -6.4481 0.3131 0.3131 0.4912 0.4912 0.6934 0.6934 1.1631 1.1631 1.8194 1.8194 1.8470 1.8470 1.9223 1.9223 1.9255 1.9255 2.1315 2.1315 7.5973 7.5973 8.0356 8.0356 8.0997 8.0997 8.5521 8.5521 9.3731 9.3731 12.0067 12.0067 k = 0.0000 0.5000 0.0532 ( 5970 PWs) bands (ev): -63.3675 -63.3675 -35.4822 -35.4822 -34.5464 -34.5464 -34.4667 -34.4667 -23.0877 -23.0877 -17.4891 -17.4891 -16.7789 -16.7789 -16.7016 -16.7016 -6.7372 -6.7372 -6.4879 -6.4879 -6.4491 -6.4491 0.3031 0.3031 0.4895 0.4895 0.6954 0.6954 1.1489 1.1489 1.8172 1.8172 1.8414 1.8414 1.9177 1.9177 1.9440 1.9440 2.1276 2.1276 7.6049 7.6049 8.0390 8.0390 8.1000 8.1000 8.5589 8.5589 9.3833 9.3833 12.0200 12.0200 k = 0.0000 0.5000 0.0666 ( 5966 PWs) bands (ev): -63.3672 -63.3672 -35.4822 -35.4822 -34.5465 -34.5465 -34.4667 -34.4667 -23.0875 -23.0875 -17.4862 -17.4862 -16.7790 -16.7790 -16.7016 -16.7016 -6.7378 -6.7378 -6.4880 -6.4880 -6.4505 -6.4505 0.2901 0.2901 0.4876 0.4876 0.6980 0.6980 1.1314 1.1314 1.8149 1.8149 1.8372 1.8372 1.9107 1.9107 1.9648 1.9648 2.1228 2.1228 7.6148 7.6148 8.0462 8.0462 8.1013 8.1013 8.5677 8.5677 9.3985 9.3985 12.0371 12.0371 k = 0.0000 0.5000 0.0799 ( 5956 PWs) bands (ev): -63.3665 -63.3665 -35.4822 -35.4822 -34.5466 -34.5466 -34.4665 -34.4665 -23.0873 -23.0873 -17.4826 -17.4826 -16.7792 -16.7792 -16.7017 -16.7017 -6.7384 -6.7384 -6.4882 -6.4882 -6.4521 -6.4521 0.2742 0.2742 0.4856 0.4856 0.7012 0.7012 1.1110 1.1110 1.8129 1.8129 1.8338 1.8338 1.9022 1.9022 1.9868 1.9868 2.1171 2.1171 7.6269 7.6269 8.0544 8.0544 8.1042 8.1042 8.5796 8.5796 9.4180 9.4180 12.0580 12.0580 k = 0.0000 0.5000 0.0932 ( 5962 PWs) bands (ev): -63.3669 -63.3669 -35.4824 -35.4824 -34.5469 -34.5469 -34.4666 -34.4666 -23.0870 -23.0870 -17.4783 -17.4783 -16.7794 -16.7794 -16.7019 -16.7019 -6.7392 -6.7392 -6.4885 -6.4885 -6.4539 -6.4539 0.2552 0.2552 0.4835 0.4835 0.7049 0.7049 1.0881 1.0881 1.8111 1.8111 1.8310 1.8310 1.8923 1.8923 2.0096 2.0096 2.1107 2.1107 7.6395 7.6395 8.0607 8.0607 8.1052 8.1052 8.5897 8.5897 9.4397 9.4397 12.0825 12.0825 k = 0.0000 0.5000 0.1065 ( 5958 PWs) bands (ev): -63.3666 -63.3666 -35.4825 -35.4825 -34.5472 -34.5472 -34.4665 -34.4665 -23.0867 -23.0867 -17.4735 -17.4735 -16.7796 -16.7796 -16.7020 -16.7020 -6.7402 -6.7402 -6.4889 -6.4889 -6.4559 -6.4559 0.2333 0.2333 0.4816 0.4816 0.7093 0.7093 1.0631 1.0631 1.8095 1.8095 1.8289 1.8289 1.8811 1.8811 2.0330 2.0330 2.1036 2.1036 7.6560 7.6560 8.0688 8.0688 8.1083 8.1083 8.6015 8.6015 9.4658 9.4658 12.1107 12.1107 k = 0.0000 0.5000 0.1198 ( 5960 PWs) bands (ev): -63.3667 -63.3667 -35.4827 -35.4827 -34.5475 -34.5475 -34.4666 -34.4666 -23.0864 -23.0864 -17.4682 -17.4682 -16.7799 -16.7799 -16.7022 -16.7022 -6.7412 -6.7412 -6.4893 -6.4893 -6.4580 -6.4580 0.2084 0.2084 0.4799 0.4799 0.7142 0.7142 1.0364 1.0364 1.8077 1.8077 1.8273 1.8273 1.8688 1.8688 2.0566 2.0566 2.0961 2.0961 7.6707 7.6707 8.0756 8.0756 8.1126 8.1126 8.6149 8.6149 9.4953 9.4953 12.1424 12.1424 k = 0.0000 0.5000 0.1331 ( 5964 PWs) bands (ev): -63.3669 -63.3669 -35.4829 -35.4829 -34.5479 -34.5479 -34.4665 -34.4665 -23.0860 -23.0860 -17.4623 -17.4623 -16.7802 -16.7802 -16.7023 -16.7023 -6.7424 -6.7424 -6.4899 -6.4899 -6.4603 -6.4603 0.1809 0.1809 0.4782 0.4782 0.7197 0.7197 1.0084 1.0084 1.8055 1.8055 1.8261 1.8261 1.8559 1.8559 2.0795 2.0795 2.0891 2.0891 7.6889 7.6889 8.0811 8.0811 8.1193 8.1193 8.6265 8.6265 9.5260 9.5260 12.1777 12.1777 k = 0.0000 0.5000 0.1464 ( 5964 PWs) bands (ev): -63.3669 -63.3669 -35.4831 -35.4831 -34.5483 -34.5483 -34.4665 -34.4665 -23.0856 -23.0856 -17.4559 -17.4559 -16.7806 -16.7806 -16.7025 -16.7025 -6.7437 -6.7437 -6.4907 -6.4907 -6.4625 -6.4625 0.1509 0.1509 0.4767 0.4767 0.7258 0.7258 0.9793 0.9793 1.8027 1.8027 1.8234 1.8234 1.8443 1.8443 2.0790 2.0790 2.1052 2.1052 7.7086 7.7086 8.0856 8.0856 8.1295 8.1295 8.6388 8.6388 9.5608 9.5608 12.2164 12.2164 k = 0.0000 0.5000 0.1597 ( 5960 PWs) bands (ev): -63.3666 -63.3666 -35.4833 -35.4833 -34.5486 -34.5486 -34.4665 -34.4665 -23.0852 -23.0852 -17.4490 -17.4490 -16.7810 -16.7810 -16.7027 -16.7027 -6.7451 -6.7451 -6.4917 -6.4917 -6.4647 -6.4647 0.1186 0.1186 0.4754 0.4754 0.7324 0.7324 0.9496 0.9496 1.7992 1.7992 1.8146 1.8146 1.8389 1.8389 2.0708 2.0708 2.1287 2.1287 7.7305 7.7305 8.0878 8.0878 8.1424 8.1424 8.6520 8.6520 9.6000 9.6000 12.2584 12.2584 k = 0.0000 0.5000 0.1730 ( 5968 PWs) bands (ev): -63.3671 -63.3671 -35.4836 -35.4836 -34.5491 -34.5491 -34.4666 -34.4666 -23.0847 -23.0847 -17.4417 -17.4417 -16.7814 -16.7814 -16.7029 -16.7029 -6.7466 -6.7466 -6.4930 -6.4930 -6.4668 -6.4668 0.0842 0.0842 0.4742 0.4742 0.7396 0.7396 0.9194 0.9194 1.7946 1.7946 1.8003 1.8003 1.8392 1.8392 2.0623 2.0623 2.1519 2.1519 7.7512 7.7512 8.0893 8.0893 8.1554 8.1554 8.6625 8.6625 9.6400 9.6400 12.3037 12.3037 k = 0.0000 0.5000 0.1863 ( 5966 PWs) bands (ev): -63.3670 -63.3670 -35.4838 -35.4838 -34.5495 -34.5495 -34.4665 -34.4665 -23.0843 -23.0843 -17.4341 -17.4341 -16.7819 -16.7819 -16.7031 -16.7031 -6.7482 -6.7482 -6.4946 -6.4946 -6.4686 -6.4686 0.0480 0.0480 0.4730 0.4730 0.7474 0.7474 0.8890 0.8890 1.7810 1.7810 1.7919 1.7919 1.8420 1.8420 2.0538 2.0538 2.1748 2.1748 7.7755 7.7755 8.0907 8.0907 8.1723 8.1723 8.6745 8.6745 9.6808 9.6808 12.3522 12.3522 k = 0.0000 0.5000 0.1997 ( 5962 PWs) bands (ev): -63.3667 -63.3667 -35.4840 -35.4840 -34.5499 -34.5499 -34.4665 -34.4665 -23.0838 -23.0838 -17.4260 -17.4260 -16.7824 -16.7824 -16.7034 -16.7034 -6.7499 -6.7499 -6.4966 -6.4966 -6.4702 -6.4702 0.0103 0.0103 0.4721 0.4721 0.7557 0.7557 0.8587 0.8587 1.7620 1.7620 1.7871 1.7871 1.8458 1.8458 2.0453 2.0453 2.1970 2.1970 7.8006 7.8006 8.0915 8.0915 8.1899 8.1899 8.6857 8.6857 9.7265 9.7265 12.4038 12.4038 k = 0.0000 0.5000 0.2130 ( 5958 PWs) bands (ev): -63.3664 -63.3664 -35.4842 -35.4842 -34.5503 -34.5503 -34.4665 -34.4665 -23.0832 -23.0832 -17.4177 -17.4177 -16.7830 -16.7830 -16.7036 -16.7036 -6.7517 -6.7517 -6.4990 -6.4990 -6.4714 -6.4714 -0.0287 -0.0287 0.4712 0.4712 0.7642 0.7642 0.8288 0.8288 1.7418 1.7418 1.7823 1.7823 1.8502 1.8502 2.0371 2.0371 2.2186 2.2186 7.8255 7.8255 8.0926 8.0926 8.2101 8.2101 8.6964 8.6964 9.7724 9.7724 12.4583 12.4583 k = 0.0000 0.5000 0.2263 ( 5942 PWs) bands (ev): -63.3654 -63.3654 -35.4844 -35.4844 -34.5506 -34.5506 -34.4662 -34.4662 -23.0827 -23.0827 -17.4091 -17.4091 -16.7836 -16.7836 -16.7038 -16.7038 -6.7536 -6.7536 -6.5017 -6.5017 -6.4724 -6.4724 -0.0686 -0.0686 0.4704 0.4704 0.7720 0.7720 0.8006 0.8006 1.7206 1.7206 1.7774 1.7774 1.8551 1.8551 2.0291 2.0291 2.2394 2.2394 7.8531 7.8531 8.0972 8.0972 8.2314 8.2314 8.7077 8.7077 9.8196 9.8196 12.5156 12.5156 k = 0.0000 0.5000 0.2396 ( 5932 PWs) bands (ev): -63.3647 -63.3647 -35.4845 -35.4845 -34.5510 -34.5510 -34.4661 -34.4661 -23.0822 -23.0822 -17.4003 -17.4003 -16.7843 -16.7843 -16.7041 -16.7041 -6.7556 -6.7556 -6.5047 -6.5047 -6.4730 -6.4730 -0.1093 -0.1093 0.4696 0.4696 0.7640 0.7640 0.7892 0.7892 1.6986 1.6986 1.7723 1.7723 1.8604 1.8604 2.0213 2.0213 2.2595 2.2595 7.8815 7.8815 8.0998 8.0998 8.2524 8.2524 8.7173 8.7173 9.8671 9.8671 12.5756 12.5756 k = 0.0000 0.5000 0.2529 ( 5944 PWs) bands (ev): -63.3654 -63.3654 -35.4849 -35.4849 -34.5516 -34.5516 -34.4663 -34.4663 -23.0816 -23.0816 -17.3913 -17.3913 -16.7850 -16.7850 -16.7043 -16.7043 -6.7577 -6.7577 -6.5080 -6.5080 -6.4735 -6.4735 -0.1505 -0.1505 0.4690 0.4690 0.7373 0.7373 0.7976 0.7976 1.6759 1.6759 1.7671 1.7671 1.8658 1.8658 2.0139 2.0139 2.2787 2.2787 7.9057 7.9057 8.0979 8.0979 8.2710 8.2710 8.7233 8.7233 9.9155 9.9155 12.6382 12.6382 k = 0.0000 0.5000 0.2662 ( 5948 PWs) bands (ev): -63.3657 -63.3657 -35.4852 -35.4852 -34.5521 -34.5521 -34.4663 -34.4663 -23.0811 -23.0811 -17.3822 -17.3822 -16.7857 -16.7857 -16.7046 -16.7046 -6.7598 -6.7598 -6.5114 -6.5114 -6.4737 -6.4737 -0.1918 -0.1918 0.4684 0.4684 0.7095 0.7095 0.8084 0.8084 1.6526 1.6526 1.7619 1.7619 1.8714 1.8714 2.0069 2.0069 2.2970 2.2970 7.9299 7.9299 8.0987 8.0987 8.2902 8.2902 8.7296 8.7296 9.9650 9.9650 12.7032 12.7032 k = 0.0000 0.5000 0.2795 ( 5950 PWs) bands (ev): -63.3658 -63.3658 -35.4855 -35.4855 -34.5527 -34.5527 -34.4663 -34.4663 -23.0805 -23.0805 -17.3731 -17.3731 -16.7865 -16.7865 -16.7048 -16.7048 -6.7620 -6.7620 -6.5149 -6.5149 -6.4738 -6.4738 -0.2330 -0.2330 0.4677 0.4677 0.6822 0.6822 0.8202 0.8202 1.6288 1.6288 1.7566 1.7566 1.8770 1.8770 2.0002 2.0002 2.3144 2.3144 7.9552 7.9552 8.0996 8.0996 8.3115 8.3115 8.7364 8.7364 10.0106 10.0106 12.7704 12.7704 k = 0.0000 0.5000 0.2928 ( 5948 PWs) bands (ev): -63.3657 -63.3657 -35.4858 -35.4858 -34.5532 -34.5532 -34.4662 -34.4662 -23.0800 -23.0800 -17.3640 -17.3640 -16.7873 -16.7873 -16.7051 -16.7051 -6.7642 -6.7642 -6.5184 -6.5184 -6.4738 -6.4738 -0.2737 -0.2737 0.4671 0.4671 0.6557 0.6557 0.8326 0.8326 1.6045 1.6045 1.7515 1.7515 1.8827 1.8827 1.9940 1.9940 2.3308 2.3308 7.9799 7.9799 8.1015 8.1015 8.3337 8.3337 8.7434 8.7434 10.0560 10.0560 12.8396 12.9119 k = 0.0000 0.5000 0.3061 ( 5936 PWs) bands (ev): -63.3649 -63.3649 -35.4859 -35.4859 -34.5535 -34.5535 -34.4660 -34.4660 -23.0794 -23.0794 -17.3549 -17.3549 -16.7882 -16.7882 -16.7053 -16.7053 -6.7664 -6.7664 -6.5219 -6.5219 -6.4737 -6.4737 -0.3137 -0.3137 0.4666 0.4666 0.6302 0.6302 0.8457 0.8457 1.5799 1.5799 1.7463 1.7463 1.8883 1.8883 1.9882 1.9882 2.3463 2.3463 8.0082 8.0082 8.1029 8.1029 8.3557 8.3557 8.7514 8.7514 10.1018 10.1018 12.9107 12.9107 k = 0.0000 0.5000 0.3195 ( 5940 PWs) bands (ev): -63.3652 -63.3652 -35.4862 -35.4862 -34.5541 -34.5541 -34.4660 -34.4660 -23.0789 -23.0789 -17.3460 -17.3460 -16.7890 -16.7890 -16.7056 -16.7056 -6.7686 -6.7686 -6.5254 -6.5254 -6.4735 -6.4735 -0.3529 -0.3529 0.4660 0.4660 0.6057 0.6057 0.8593 0.8593 1.5550 1.5550 1.7413 1.7413 1.8937 1.8937 1.9828 1.9828 2.3609 2.3609 8.0313 8.0313 8.1042 8.1042 8.3759 8.3759 8.7566 8.7566 10.1438 10.1438 12.9764 12.9764 k = 0.0000 0.5000 0.3328 ( 5950 PWs) bands (ev): -63.3658 -63.3658 -35.4866 -35.4866 -34.5547 -34.5547 -34.4660 -34.4660 -23.0784 -23.0784 -17.3372 -17.3372 -16.7899 -16.7899 -16.7058 -16.7058 -6.7708 -6.7708 -6.5288 -6.5288 -6.4732 -6.4732 -0.3910 -0.3910 0.4653 0.4653 0.5823 0.5823 0.8736 0.8736 1.5298 1.5298 1.7363 1.7363 1.8990 1.8990 1.9779 1.9779 2.3745 2.3745 8.0534 8.0534 8.1060 8.1060 8.3928 8.3928 8.7601 8.7601 10.1838 10.1838 13.0093 13.0093 k = 0.0000 0.5000 0.3461 ( 5958 PWs) bands (ev): -63.3663 -63.3663 -35.4869 -35.4869 -34.5552 -34.5552 -34.4662 -34.4662 -23.0779 -23.0779 -17.3286 -17.3286 -16.7909 -16.7909 -16.7060 -16.7060 -6.7729 -6.7729 -6.5321 -6.5321 -6.4729 -6.4729 -0.4277 -0.4277 0.4648 0.4648 0.5603 0.5603 0.8884 0.8884 1.5045 1.5045 1.7315 1.7315 1.9040 1.9040 1.9735 1.9735 2.3871 2.3871 8.0715 8.0715 8.1089 8.1089 8.4091 8.4091 8.7641 8.7641 10.2249 10.2249 13.0422 13.0422 k = 0.0000 0.5000 0.3594 ( 5962 PWs) bands (ev): -63.3666 -63.3666 -35.4872 -35.4872 -34.5557 -34.5557 -34.4662 -34.4662 -23.0774 -23.0774 -17.3203 -17.3203 -16.7918 -16.7918 -16.7063 -16.7063 -6.7750 -6.7750 -6.5353 -6.5353 -6.4726 -6.4726 -0.4628 -0.4628 0.4641 0.4641 0.5396 0.5396 0.9038 0.9038 1.4791 1.4791 1.7269 1.7269 1.9086 1.9086 1.9696 1.9696 2.3988 2.3988 8.0856 8.0856 8.1174 8.1174 8.4260 8.4260 8.7676 8.7676 10.2624 10.2624 13.0750 13.0750 k = 0.0000 0.5000 0.3727 ( 5962 PWs) bands (ev): -63.3666 -63.3666 -35.4874 -35.4874 -34.5562 -34.5562 -34.4661 -34.4661 -23.0770 -23.0770 -17.3124 -17.3124 -16.7927 -16.7927 -16.7065 -16.7065 -6.7771 -6.7771 -6.5383 -6.5383 -6.4722 -6.4722 -0.4962 -0.4962 0.4632 0.4632 0.5205 0.5205 0.9198 0.9198 1.4537 1.4537 1.7226 1.7226 1.9129 1.9129 1.9662 1.9662 2.4096 2.4096 8.0930 8.0930 8.1325 8.1325 8.4444 8.4444 8.7712 8.7712 10.2967 10.2967 13.1074 13.1074 k = 0.0000 0.5000 0.3860 ( 5958 PWs) bands (ev): -63.3663 -63.3663 -35.4876 -35.4876 -34.5565 -34.5565 -34.4661 -34.4661 -23.0765 -23.0765 -17.3049 -17.3049 -16.7936 -16.7936 -16.7067 -16.7067 -6.7790 -6.7790 -6.5412 -6.5412 -6.4719 -6.4719 -0.5275 -0.5275 0.4620 0.4620 0.5033 0.5033 0.9363 0.9363 1.4283 1.4283 1.7184 1.7184 1.9167 1.9167 1.9634 1.9634 2.4194 2.4194 8.0961 8.0961 8.1504 8.1504 8.4617 8.4617 8.7752 8.7752 10.3311 10.3311 13.1390 13.1390 k = 0.0000 0.5000 0.3993 ( 5952 PWs) bands (ev): -63.3659 -63.3659 -35.4877 -35.4877 -34.5568 -34.5568 -34.4660 -34.4660 -23.0761 -23.0761 -17.2977 -17.2977 -16.7945 -16.7945 -16.7069 -16.7069 -6.7809 -6.7809 -6.5438 -6.5438 -6.4715 -6.4715 -0.5567 -0.5567 0.4596 0.4596 0.4887 0.4887 0.9533 0.9533 1.4030 1.4030 1.7146 1.7146 1.9199 1.9199 1.9613 1.9613 2.4283 2.4283 8.0981 8.0981 8.1685 8.1685 8.4796 8.4796 8.7792 8.7792 10.3620 10.3620 13.1696 13.1696 k = 0.0000 0.5000 0.4126 ( 5948 PWs) bands (ev): -63.3656 -63.3656 -35.4879 -35.4879 -34.5571 -34.5571 -34.4659 -34.4659 -23.0757 -23.0757 -17.2911 -17.2911 -16.7953 -16.7953 -16.7070 -16.7070 -6.7826 -6.7826 -6.5463 -6.5463 -6.4712 -6.4712 -0.5836 -0.5836 0.4549 0.4549 0.4779 0.4779 0.9709 0.9709 1.3779 1.3779 1.7110 1.7110 1.9225 1.9225 1.9597 1.9597 2.4363 2.4363 8.0994 8.0994 8.1871 8.1871 8.4946 8.4946 8.7820 8.7820 10.3898 10.3898 13.1988 13.1988 k = 0.0000 0.5000 0.4259 ( 5964 PWs) bands (ev): -63.3667 -63.3667 -35.4882 -35.4882 -34.5576 -34.5576 -34.4660 -34.4660 -23.0754 -23.0754 -17.2851 -17.2851 -16.7962 -16.7962 -16.7072 -16.7072 -6.7842 -6.7842 -6.5485 -6.5485 -6.4708 -6.4708 -0.6081 -0.6081 0.4466 0.4466 0.4718 0.4718 0.9889 0.9889 1.3529 1.3529 1.7077 1.7077 1.9244 1.9244 1.9589 1.9589 2.4435 2.4435 8.0994 8.0994 8.1986 8.1986 8.5070 8.5070 8.7835 8.7835 10.4099 10.4099 13.2261 13.2261 k = 0.0000 0.5000 0.4392 ( 5964 PWs) bands (ev): -63.3666 -63.3666 -35.4884 -35.4884 -34.5579 -34.5579 -34.4660 -34.4660 -23.0751 -23.0751 -17.2796 -17.2796 -16.7969 -16.7969 -16.7073 -16.7073 -6.7856 -6.7856 -6.5505 -6.5505 -6.4705 -6.4705 -0.6300 -0.6300 0.4368 0.4368 0.4692 0.4692 1.0074 1.0074 1.3282 1.3282 1.7048 1.7048 1.9257 1.9257 1.9586 1.9586 2.4497 2.4497 8.0998 8.0998 8.2119 8.2119 8.5188 8.5188 8.7860 8.7860 10.4329 10.4329 13.2513 13.2513 k = 0.0000 0.5000 0.4526 ( 5956 PWs) bands (ev): -63.3661 -63.3661 -35.4884 -35.4884 -34.5580 -34.5580 -34.4660 -34.4660 -23.0748 -23.0748 -17.2748 -17.2748 -16.7976 -16.7976 -16.7075 -16.7075 -6.7869 -6.7869 -6.5522 -6.5522 -6.4703 -6.4703 -0.6492 -0.6492 0.4273 0.4273 0.4680 0.4680 1.0263 1.0263 1.3039 1.3039 1.7022 1.7022 1.9264 1.9264 1.9588 1.9588 2.4551 2.4551 8.1003 8.1003 8.2256 8.2256 8.5313 8.5313 8.7886 8.7886 10.4538 10.4538 13.2742 13.2742 k = 0.0000 0.5000 0.4659 ( 5952 PWs) bands (ev): -63.3658 -63.3658 -35.4885 -35.4885 -34.5581 -34.5581 -34.4659 -34.4659 -23.0746 -23.0746 -17.2706 -17.2706 -16.7982 -16.7982 -16.7076 -16.7076 -6.7880 -6.7880 -6.5537 -6.5537 -6.4700 -6.4700 -0.6656 -0.6656 0.4189 0.4189 0.4673 0.4673 1.0456 1.0456 1.2800 1.2800 1.7000 1.7000 1.9268 1.9268 1.9593 1.9593 2.4596 2.4596 8.1002 8.1002 8.2387 8.2387 8.5414 8.5414 8.7902 8.7902 10.4696 10.4696 13.2941 13.2941 k = 0.0000 0.5000 0.4792 ( 5960 PWs) bands (ev): -63.3664 -63.3664 -35.4887 -35.4887 -34.5584 -34.5584 -34.4660 -34.4660 -23.0744 -23.0744 -17.2672 -17.2672 -16.7987 -16.7987 -16.7077 -16.7077 -6.7889 -6.7889 -6.5549 -6.5549 -6.4698 -6.4698 -0.6792 -0.6792 0.4117 0.4117 0.4667 0.4667 1.0650 1.0650 1.2568 1.2568 1.6982 1.6982 1.9268 1.9268 1.9599 1.9599 2.4633 2.4633 8.0998 8.0998 8.2451 8.2451 8.5477 8.5477 8.7909 8.7909 10.4823 10.4823 13.3109 13.3109 k = 0.0000 0.5000 0.4925 ( 5964 PWs) bands (ev): -63.3666 -63.3666 -35.4888 -35.4888 -34.5586 -34.5586 -34.4660 -34.4660 -23.0743 -23.0743 -17.2645 -17.2645 -16.7991 -16.7991 -16.7077 -16.7077 -6.7897 -6.7897 -6.5559 -6.5559 -6.4696 -6.4696 -0.6898 -0.6898 0.4061 0.4061 0.4664 0.4664 1.0842 1.0842 1.2345 1.2345 1.6968 1.6968 1.9268 1.9268 1.9605 1.9605 2.4662 2.4662 8.1000 8.1000 8.2502 8.2502 8.5537 8.5537 8.7918 8.7918 10.4916 10.4916 13.3243 13.3243 k = 0.0000 0.5000 0.5058 ( 5972 PWs) bands (ev): -63.3671 -63.3671 -35.4889 -35.4889 -34.5588 -34.5588 -34.4661 -34.4661 -23.0742 -23.0742 -17.2625 -17.2625 -16.7994 -16.7994 -16.7078 -16.7078 -6.7902 -6.7902 -6.5566 -6.5566 -6.4695 -6.4695 -0.6975 -0.6975 0.4021 0.4021 0.4660 0.4660 1.1026 1.1026 1.2140 1.2140 1.6957 1.6957 1.9267 1.9267 1.9610 1.9610 2.4682 2.4682 8.0993 8.0993 8.2545 8.2545 8.5573 8.5573 8.7918 8.7918 10.4961 10.4961 13.3339 13.3339 k = 0.0000 0.5000 0.5191 ( 5968 PWs) bands (ev): -63.3669 -63.3669 -35.4889 -35.4889 -34.5588 -34.5588 -34.4661 -34.4661 -23.0741 -23.0741 -17.2614 -17.2614 -16.7995 -16.7995 -16.7078 -16.7078 -6.7905 -6.7905 -6.5570 -6.5570 -6.4695 -6.4695 -0.7021 -0.7021 0.3996 0.3996 0.4660 0.4660 1.1180 1.1180 1.1973 1.1973 1.6951 1.6951 1.9266 1.9266 1.9614 1.9614 2.4695 2.4695 8.0998 8.0998 8.2585 8.2585 8.5597 8.5597 8.7925 8.7925 10.5015 10.5015 13.3399 13.3399 k = 0.0000 0.5000 0.5324 ( 5968 PWs) bands (ev): -63.3669 -63.3669 -35.4889 -35.4889 -34.5588 -34.5588 -34.4661 -34.4661 -23.0741 -23.0741 -17.2610 -17.2610 -16.7996 -16.7996 -16.7078 -16.7078 -6.7906 -6.7906 -6.5571 -6.5571 -6.4694 -6.4694 -0.7036 -0.7036 0.3988 0.3988 0.4659 0.4659 1.1249 1.1249 1.1900 1.1900 1.6949 1.6949 1.9266 1.9266 1.9615 1.9615 2.4699 2.4699 8.0999 8.0999 8.2595 8.2595 8.5606 8.5606 8.7926 8.7926 10.5030 10.5030 13.3419 13.3419 k = 0.5000 0.5000-0.0000 ( 5944 PWs) bands (ev): -63.3653 -63.3653 -35.4837 -35.4837 -34.5472 -34.5472 -34.4704 -34.4704 -23.0800 -23.0800 -17.4584 -17.4584 -16.7153 -16.7153 -16.7110 -16.7110 -6.7618 -6.7618 -6.5285 -6.5285 -6.4382 -6.4382 -0.0727 -0.0727 0.6468 0.6468 0.7154 0.7154 0.8257 0.8257 1.3982 1.3982 1.4330 1.4330 1.7685 1.7685 1.7701 1.7701 2.5692 2.5692 8.0194 8.0194 8.0510 8.0510 8.4385 8.4385 9.0428 9.0428 10.1794 10.1794 13.0329 13.0329 k = 0.5000 0.5000 0.0133 ( 5944 PWs) bands (ev): -63.3653 -63.3653 -35.4837 -35.4837 -34.5472 -34.5472 -34.4704 -34.4704 -23.0800 -23.0800 -17.4581 -17.4581 -16.7153 -16.7153 -16.7110 -16.7110 -6.7619 -6.7619 -6.5286 -6.5286 -6.4385 -6.4385 -0.0731 -0.0731 0.6453 0.6453 0.7154 0.7154 0.8262 0.8262 1.3947 1.3947 1.4291 1.4291 1.7719 1.7719 1.7739 1.7739 2.5692 2.5692 8.0191 8.0191 8.0508 8.0508 8.4375 8.4375 9.0489 9.0489 10.1791 10.1791 13.0328 13.0328 k = 0.5000 0.5000 0.0266 ( 5948 PWs) bands (ev): -63.3656 -63.3656 -35.4837 -35.4837 -34.5473 -34.5473 -34.4705 -34.4705 -23.0799 -23.0799 -17.4572 -17.4572 -16.7152 -16.7152 -16.7109 -16.7109 -6.7624 -6.7624 -6.5289 -6.5289 -6.4394 -6.4394 -0.0749 -0.0749 0.6408 0.6408 0.7155 0.7155 0.8277 0.8277 1.3846 1.3846 1.4179 1.4179 1.7820 1.7820 1.7849 1.7849 2.5693 2.5693 8.0205 8.0205 8.0521 8.0521 8.4374 8.4374 9.0563 9.0563 10.1791 10.1791 13.0321 13.0321 k = 0.5000 0.5000 0.0399 ( 5948 PWs) bands (ev): -63.3656 -63.3656 -35.4838 -35.4838 -34.5474 -34.5474 -34.4705 -34.4705 -23.0798 -23.0798 -17.4556 -17.4556 -16.7151 -16.7151 -16.7108 -16.7108 -6.7630 -6.7630 -6.5293 -6.5293 -6.4410 -6.4410 -0.0779 -0.0779 0.6335 0.6335 0.7156 0.7156 0.8303 0.8303 1.3688 1.3688 1.4008 1.4008 1.7976 1.7976 1.8019 1.8019 2.5695 2.5695 8.0242 8.0242 8.0558 8.0558 8.4376 8.4376 9.0699 9.0699 10.1792 10.1792 13.0311 13.0311 k = 0.5000 0.5000 0.0532 ( 5932 PWs) bands (ev): -63.3645 -63.3645 -35.4837 -35.4837 -34.5473 -34.5473 -34.4703 -34.4703 -23.0797 -23.0797 -17.4535 -17.4535 -16.7150 -16.7150 -16.7107 -16.7107 -6.7639 -6.7639 -6.5300 -6.5300 -6.4431 -6.4431 -0.0821 -0.0821 0.6235 0.6235 0.7159 0.7159 0.8339 0.8339 1.3486 1.3486 1.3791 1.3791 1.8177 1.8177 1.8234 1.8234 2.5697 2.5697 8.0329 8.0329 8.0645 8.0645 8.4380 8.4380 9.0893 9.0893 10.1821 10.1821 13.0297 13.0297 k = 0.5000 0.5000 0.0666 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4838 -35.4838 -34.5476 -34.5476 -34.4703 -34.4703 -23.0796 -23.0796 -17.4508 -17.4508 -16.7148 -16.7148 -16.7105 -16.7105 -6.7651 -6.7651 -6.5308 -6.5308 -6.4459 -6.4459 -0.0877 -0.0877 0.6109 0.6109 0.7162 0.7162 0.8385 0.8385 1.3252 1.3252 1.3542 1.3542 1.8409 1.8409 1.8480 1.8480 2.5700 2.5700 8.0385 8.0385 8.0701 8.0701 8.4379 8.4379 9.1131 9.1131 10.1821 10.1821 13.0278 13.0278 k = 0.5000 0.5000 0.0799 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4840 -35.4840 -34.5478 -34.5478 -34.4703 -34.4703 -23.0794 -23.0794 -17.4475 -17.4475 -16.7145 -16.7145 -16.7102 -16.7102 -6.7666 -6.7666 -6.5318 -6.5318 -6.4492 -6.4492 -0.0947 -0.0947 0.5962 0.5962 0.7164 0.7164 0.8440 0.8440 1.2994 1.2994 1.3271 1.3271 1.8664 1.8664 1.8747 1.8747 2.5704 2.5704 8.0465 8.0465 8.0781 8.0781 8.4383 8.4383 9.1420 9.1420 10.1822 10.1822 13.0256 13.0256 k = 0.5000 0.5000 0.0932 ( 5952 PWs) bands (ev): -63.3658 -63.3658 -35.4842 -35.4842 -34.5482 -34.5482 -34.4704 -34.4704 -23.0792 -23.0792 -17.4436 -17.4436 -16.7142 -16.7142 -16.7100 -16.7100 -6.7683 -6.7683 -6.5330 -6.5330 -6.4531 -6.4531 -0.1035 -0.1035 0.5794 0.5794 0.7167 0.7167 0.8505 0.8505 1.2720 1.2720 1.2985 1.2985 1.8934 1.8934 1.9028 1.9028 2.5708 2.5708 8.0539 8.0539 8.0855 8.0855 8.4359 8.4359 9.1717 9.1717 10.1819 10.1819 13.0227 13.0227 k = 0.5000 0.5000 0.1065 ( 5936 PWs) bands (ev): -63.3647 -63.3647 -35.4842 -35.4842 -34.5483 -34.5483 -34.4702 -34.4702 -23.0789 -23.0789 -17.4393 -17.4393 -16.7139 -16.7139 -16.7096 -16.7096 -6.7702 -6.7702 -6.5343 -6.5343 -6.4574 -6.4574 -0.1138 -0.1138 0.5611 0.5611 0.7171 0.7171 0.8579 0.8579 1.2436 1.2436 1.2691 1.2691 1.9215 1.9215 1.9318 1.9318 2.5713 2.5713 8.0673 8.0673 8.0990 8.0990 8.4394 8.4394 9.2100 9.2100 10.1840 10.1840 13.0197 13.0197 k = 0.5000 0.5000 0.1198 ( 5952 PWs) bands (ev): -63.3657 -63.3657 -35.4846 -35.4846 -34.5488 -34.5488 -34.4704 -34.4704 -23.0786 -23.0786 -17.4344 -17.4344 -16.7136 -16.7136 -16.7093 -16.7093 -6.7724 -6.7724 -6.5358 -6.5358 -6.4623 -6.4623 -0.1260 -0.1260 0.5416 0.5416 0.7173 0.7173 0.8661 0.8661 1.2144 1.2144 1.2390 1.2390 1.9501 1.9501 1.9612 1.9612 2.5719 2.5719 8.0760 8.0760 8.1076 8.1076 8.4383 8.4383 9.2521 9.2521 10.1814 10.1814 13.0162 13.0162 k = 0.5000 0.5000 0.1331 ( 5968 PWs) bands (ev): -63.3668 -63.3668 -35.4849 -35.4849 -34.5494 -34.5494 -34.4705 -34.4705 -23.0783 -23.0783 -17.4290 -17.4290 -16.7132 -16.7132 -16.7089 -16.7089 -6.7748 -6.7748 -6.5374 -6.5374 -6.4675 -6.4675 -0.1402 -0.1402 0.5214 0.5214 0.7175 0.7175 0.8750 0.8750 1.1850 1.1850 1.2087 1.2087 1.9789 1.9789 1.9907 1.9907 2.5725 2.5725 8.0870 8.0870 8.1186 8.1186 8.4374 8.4374 9.2941 9.2941 10.1797 10.1797 13.0123 13.0123 k = 0.5000 0.5000 0.1464 ( 5968 PWs) bands (ev): -63.3668 -63.3668 -35.4851 -35.4851 -34.5498 -34.5498 -34.4705 -34.4705 -23.0780 -23.0780 -17.4232 -17.4232 -16.7128 -16.7128 -16.7085 -16.7085 -6.7774 -6.7774 -6.5392 -6.5392 -6.4732 -6.4732 -0.1565 -0.1565 0.5008 0.5008 0.7180 0.7180 0.8848 0.8848 1.1555 1.1555 1.1784 1.1784 2.0079 2.0079 2.0203 2.0203 2.5731 2.5731 8.0993 8.0993 8.1310 8.1310 8.4397 8.4397 9.3447 9.3447 10.1807 10.1807 13.0082 13.0082 k = 0.5000 0.5000 0.1597 ( 5956 PWs) bands (ev): -63.3660 -63.3660 -35.4852 -35.4852 -34.5501 -34.5501 -34.4703 -34.4703 -23.0777 -23.0777 -17.4170 -17.4170 -16.7123 -16.7123 -16.7080 -16.7080 -6.7802 -6.7802 -6.5411 -6.5411 -6.4792 -6.4792 -0.1750 -0.1750 0.4803 0.4803 0.7186 0.7186 0.8952 0.8952 1.1261 1.1261 1.1483 1.1483 2.0367 2.0367 2.0496 2.0496 2.5738 2.5738 8.1161 8.1161 8.1478 8.1478 8.4420 8.4420 9.3979 9.3979 10.1837 10.1837 13.0037 13.0037 k = 0.5000 0.5000 0.1730 ( 5948 PWs) bands (ev): -63.3655 -63.3655 -35.4854 -35.4854 -34.5504 -34.5504 -34.4702 -34.4702 -23.0773 -23.0773 -17.4104 -17.4104 -16.7118 -16.7118 -16.7075 -16.7075 -6.7833 -6.7833 -6.5431 -6.5431 -6.4855 -6.4855 -0.1957 -0.1957 0.4603 0.4603 0.7191 0.7191 0.9062 0.9062 1.0969 1.0969 1.1186 1.1186 2.0652 2.0652 2.0786 2.0786 2.5746 2.5746 8.1343 8.1343 8.1660 8.1660 8.4428 8.4428 9.4534 9.4534 10.1845 10.1845 12.9990 12.9990 k = 0.5000 0.5000 0.1863 ( 5956 PWs) bands (ev): -63.3660 -63.3660 -35.4857 -35.4857 -34.5509 -34.5509 -34.4703 -34.4703 -23.0769 -23.0769 -17.4035 -17.4035 -16.7113 -16.7113 -16.7070 -16.7070 -6.7865 -6.7865 -6.5452 -6.5452 -6.4921 -6.4921 -0.2189 -0.2189 0.4410 0.4410 0.7195 0.7195 0.9177 0.9177 1.0681 1.0681 1.0892 1.0892 2.0932 2.0932 2.1070 2.1070 2.5754 2.5754 8.1492 8.1492 8.1808 8.1808 8.4426 8.4426 9.5116 9.5116 10.1838 10.1838 12.9940 12.9940 k = 0.5000 0.5000 0.1997 ( 5948 PWs) bands (ev): -63.3655 -63.3655 -35.4858 -35.4858 -34.5513 -34.5513 -34.4701 -34.4701 -23.0765 -23.0765 -17.3963 -17.3963 -16.7108 -16.7108 -16.7065 -16.7065 -6.7898 -6.7898 -6.5474 -6.5474 -6.4989 -6.4989 -0.2443 -0.2443 0.4230 0.4230 0.7200 0.7200 0.9296 0.9296 1.0398 1.0398 1.0605 1.0605 2.1208 2.1208 2.1348 2.1348 2.5762 2.5762 8.1674 8.1674 8.1990 8.1990 8.4459 8.4459 9.5719 9.5719 10.1847 10.1847 12.9887 12.9887 k = 0.5000 0.5000 0.2130 ( 5948 PWs) bands (ev): -63.3655 -63.3655 -35.4861 -35.4861 -34.5518 -34.5518 -34.4701 -34.4701 -23.0761 -23.0761 -17.3888 -17.3888 -16.7103 -16.7103 -16.7060 -16.7060 -6.7933 -6.7933 -6.5496 -6.5496 -6.5059 -6.5059 -0.2720 -0.2720 0.4059 0.4059 0.7204 0.7204 0.9419 0.9419 1.0121 1.0121 1.0323 1.0323 2.1476 2.1476 2.1620 2.1620 2.5770 2.5770 8.1861 8.1861 8.2176 8.2176 8.4468 8.4468 9.6323 9.6323 10.1847 10.1847 12.9831 12.9831 k = 0.5000 0.5000 0.2263 ( 5948 PWs) bands (ev): -63.3655 -63.3655 -35.4864 -35.4864 -34.5522 -34.5522 -34.4701 -34.4701 -23.0756 -23.0756 -17.3811 -17.3811 -16.7097 -16.7097 -16.7054 -16.7054 -6.7970 -6.7970 -6.5520 -6.5520 -6.5129 -6.5129 -0.3016 -0.3016 0.3902 0.3902 0.7209 0.7209 0.9543 0.9543 0.9851 0.9851 1.0051 1.0051 2.1738 2.1738 2.1884 2.1884 2.5779 2.5779 8.2055 8.2055 8.2369 8.2369 8.4478 8.4478 9.6939 9.6939 10.1848 10.1848 12.9772 12.9772 k = 0.5000 0.5000 0.2396 ( 5956 PWs) bands (ev): -63.3661 -63.3661 -35.4867 -35.4867 -34.5529 -34.5529 -34.4701 -34.4701 -23.0752 -23.0752 -17.3733 -17.3733 -16.7091 -16.7091 -16.7049 -16.7049 -6.8008 -6.8008 -6.5543 -6.5543 -6.5201 -6.5201 -0.3331 -0.3331 0.3759 0.3759 0.7213 0.7213 0.9588 0.9588 0.9655 0.9655 0.9801 0.9801 2.1992 2.1992 2.2140 2.2140 2.5788 2.5788 8.2236 8.2236 8.2549 8.2549 8.4487 8.4487 9.7546 9.7546 10.1844 10.1844 12.9712 12.9712 k = 0.5000 0.5000 0.2529 ( 5960 PWs) bands (ev): -63.3663 -63.3663 -35.4870 -35.4870 -34.5534 -34.5534 -34.4701 -34.4701 -23.0747 -23.0747 -17.3654 -17.3654 -16.7086 -16.7086 -16.7043 -16.7043 -6.8046 -6.8046 -6.5567 -6.5567 -6.5272 -6.5272 -0.3660 -0.3660 0.3630 0.3630 0.7218 0.7218 0.9333 0.9333 0.9510 0.9510 0.9817 0.9817 2.2237 2.2237 2.2388 2.2388 2.5797 2.5797 8.2439 8.2439 8.2750 8.2750 8.4498 8.4498 9.8144 9.8144 10.1845 10.1845 12.9649 12.9649 k = 0.5000 0.5000 0.2662 ( 5944 PWs) bands (ev): -63.3653 -63.3653 -35.4871 -35.4871 -34.5537 -34.5537 -34.4699 -34.4699 -23.0743 -23.0743 -17.3573 -17.3573 -16.7080 -16.7080 -16.7037 -16.7037 -6.8085 -6.8085 -6.5591 -6.5591 -6.5343 -6.5343 -0.4001 -0.4001 0.3516 0.3516 0.7223 0.7223 0.9088 0.9088 0.9266 0.9266 0.9942 0.9942 2.2474 2.2474 2.2626 2.2626 2.5806 2.5806 8.2685 8.2685 8.2991 8.2991 8.4524 8.4524 9.8770 9.8770 10.1858 10.1858 12.9587 12.9587 k = 0.5000 0.5000 0.2795 ( 5952 PWs) bands (ev): -63.3658 -63.3658 -35.4875 -35.4875 -34.5543 -34.5543 -34.4701 -34.4701 -23.0739 -23.0739 -17.3493 -17.3493 -16.7074 -16.7074 -16.7031 -16.7031 -6.8125 -6.8125 -6.5615 -6.5615 -6.5414 -6.5414 -0.4352 -0.4352 0.3414 0.3414 0.7227 0.7227 0.8851 0.8851 0.9027 0.9027 1.0070 1.0070 2.2701 2.2701 2.2855 2.2855 2.5816 2.5816 8.2891 8.2891 8.3191 8.3191 8.4501 8.4501 9.9376 9.9376 10.1858 10.1858 12.9522 12.9522 k = 0.5000 0.5000 0.2928 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4876 -35.4876 -34.5545 -34.5545 -34.4700 -34.4700 -23.0734 -23.0734 -17.3413 -17.3413 -16.7068 -16.7068 -16.7026 -16.7026 -6.8165 -6.8165 -6.5639 -6.5639 -6.5483 -6.5483 -0.4706 -0.4706 0.3331 0.3331 0.7232 0.7232 0.8624 0.8624 0.8798 0.8798 1.0199 1.0199 2.2918 2.2918 2.3073 2.3073 2.5825 2.5825 8.3124 8.3124 8.3415 8.3415 8.4523 8.4523 10.0040 10.0040 10.1861 10.1861 12.9460 12.9460 k = 0.5000 0.5000 0.3061 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4878 -35.4878 -34.5550 -34.5550 -34.4700 -34.4700 -23.0730 -23.0730 -17.3334 -17.3334 -16.7063 -16.7063 -16.7020 -16.7020 -6.8205 -6.8205 -6.5663 -6.5663 -6.5550 -6.5550 -0.5063 -0.5063 0.3254 0.3254 0.7236 0.7236 0.8407 0.8407 0.8579 0.8579 1.0326 1.0326 2.3125 2.3125 2.3281 2.3281 2.5834 2.5834 8.3332 8.3332 8.3611 8.3611 8.4544 8.4544 10.0638 10.0638 10.1862 10.1862 12.9395 12.9395 k = 0.5000 0.5000 0.3195 ( 5936 PWs) bands (ev): -63.3648 -63.3648 -35.4881 -35.4881 -34.5555 -34.5555 -34.4699 -34.4699 -23.0725 -23.0725 -17.3257 -17.3257 -16.7057 -16.7057 -16.7014 -16.7014 -6.8245 -6.8245 -6.5686 -6.5686 -6.5616 -6.5616 -0.5417 -0.5417 0.3186 0.3186 0.7240 0.7240 0.8201 0.8201 0.8370 0.8370 1.0450 1.0450 2.3321 2.3321 2.3479 2.3479 2.5843 2.5843 8.3538 8.3538 8.3799 8.3799 8.4572 8.4572 10.1220 10.1220 10.1862 10.1862 12.9330 12.9330 k = 0.5000 0.5000 0.3328 ( 5944 PWs) bands (ev): -63.3654 -63.3654 -35.4884 -35.4884 -34.5560 -34.5560 -34.4700 -34.4700 -23.0721 -23.0721 -17.3181 -17.3181 -16.7052 -16.7052 -16.7009 -16.7009 -6.8284 -6.8284 -6.5709 -6.5709 -6.5679 -6.5679 -0.5766 -0.5766 0.3127 0.3127 0.7241 0.7241 0.8005 0.8005 0.8173 0.8173 1.0571 1.0571 2.3506 2.3506 2.3665 2.3665 2.5852 2.5852 8.3732 8.3732 8.3964 8.3964 8.4603 8.4603 10.1779 10.1779 10.1836 10.1836 12.9266 12.9266 k = 0.5000 0.5000 0.3461 ( 5952 PWs) bands (ev): -63.3659 -63.3659 -35.4888 -35.4888 -34.5566 -34.5566 -34.4700 -34.4700 -23.0717 -23.0717 -17.3107 -17.3107 -16.7047 -16.7047 -16.7004 -16.7004 -6.8323 -6.8323 -6.5739 -6.5739 -6.5731 -6.5731 -0.6106 -0.6106 0.3073 0.3073 0.7243 0.7243 0.7820 0.7820 0.7987 0.7987 1.0689 1.0689 2.3681 2.3681 2.3841 2.3841 2.5861 2.5861 8.3929 8.3929 8.4115 8.4115 8.4658 8.4658 10.1836 10.1836 10.2266 10.2266 12.9202 12.9202 k = 0.5000 0.5000 0.3594 ( 5944 PWs) bands (ev): -63.3654 -63.3654 -35.4889 -35.4889 -34.5569 -34.5569 -34.4699 -34.4699 -23.0713 -23.0713 -17.3036 -17.3036 -16.7042 -16.7042 -16.6999 -16.6999 -6.8361 -6.8361 -6.5797 -6.5797 -6.5752 -6.5752 -0.6435 -0.6435 0.3030 0.3030 0.7245 0.7245 0.7648 0.7648 0.7815 0.7815 1.0802 1.0802 2.3844 2.3844 2.4005 2.4005 2.5870 2.5870 8.4139 8.4139 8.4250 8.4250 8.4757 8.4757 10.1839 10.1839 10.2783 10.2783 12.9140 12.9140 k = 0.5000 0.5000 0.3727 ( 5928 PWs) bands (ev): -63.3643 -63.3643 -35.4890 -35.4890 -34.5572 -34.5572 -34.4697 -34.4697 -23.0709 -23.0709 -17.2969 -17.2969 -16.7037 -16.7037 -16.6994 -16.6994 -6.8397 -6.8397 -6.5851 -6.5851 -6.5772 -6.5772 -0.6750 -0.6750 0.2993 0.2993 0.7247 0.7247 0.7487 0.7487 0.7657 0.7657 1.0909 1.0909 2.3995 2.3995 2.4157 2.4157 2.5878 2.5878 8.4347 8.4347 8.4351 8.4351 8.4888 8.4888 10.1883 10.1883 10.3282 10.3282 12.9081 12.9081 k = 0.5000 0.5000 0.3860 ( 5936 PWs) bands (ev): -63.3649 -63.3649 -35.4893 -35.4893 -34.5577 -34.5577 -34.4697 -34.4697 -23.0706 -23.0706 -17.2905 -17.2905 -16.7032 -16.7032 -16.6989 -16.6989 -6.8431 -6.8431 -6.5901 -6.5901 -6.5791 -6.5791 -0.7048 -0.7048 0.2959 0.2959 0.7242 0.7242 0.7338 0.7338 0.7514 0.7514 1.1010 1.1010 2.4134 2.4134 2.4298 2.4298 2.5886 2.5886 8.4400 8.4400 8.4509 8.4509 8.5009 8.5009 10.1883 10.1883 10.3711 10.3711 12.9023 12.9023 k = 0.5000 0.5000 0.3993 ( 5920 PWs) bands (ev): -63.3638 -63.3638 -35.4893 -35.4893 -34.5578 -34.5578 -34.4696 -34.4696 -23.0703 -23.0703 -17.2845 -17.2845 -16.7028 -16.7028 -16.6985 -16.6985 -6.8464 -6.8464 -6.5948 -6.5948 -6.5808 -6.5808 -0.7328 -0.7328 0.2936 0.2936 0.7202 0.7202 0.7223 0.7223 0.7399 0.7399 1.1104 1.1104 2.4262 2.4262 2.4427 2.4427 2.5894 2.5894 8.4442 8.4442 8.4705 8.4705 8.5172 8.5172 10.1885 10.1885 10.4187 10.4187 12.8970 12.8970 k = 0.5000 0.5000 0.4126 ( 5920 PWs) bands (ev): -63.3638 -63.3638 -35.4895 -35.4895 -34.5582 -34.5582 -34.4696 -34.4696 -23.0699 -23.0699 -17.2790 -17.2790 -16.7024 -16.7024 -16.6981 -16.6981 -6.8494 -6.8494 -6.5991 -6.5991 -6.5825 -6.5825 -0.7587 -0.7587 0.2913 0.2913 0.7078 0.7078 0.7168 0.7168 0.7331 0.7331 1.1191 1.1191 2.4378 2.4378 2.4544 2.4544 2.5901 2.5901 8.4466 8.4466 8.4859 8.4859 8.5310 8.5310 10.1885 10.1885 10.4582 10.4582 12.8919 12.8919 k = 0.5000 0.5000 0.4259 ( 5924 PWs) bands (ev): -63.3641 -63.3641 -35.4897 -35.4897 -34.5586 -34.5586 -34.4696 -34.4696 -23.0697 -23.0697 -17.2739 -17.2739 -16.7020 -16.7020 -16.6977 -16.6977 -6.8522 -6.8522 -6.6030 -6.6030 -6.5840 -6.5840 -0.7823 -0.7823 0.2892 0.2892 0.6966 0.6966 0.7081 0.7081 0.7307 0.7307 1.1270 1.1270 2.4482 2.4482 2.4649 2.4649 2.5908 2.5908 8.4483 8.4483 8.5000 8.5000 8.5439 8.5439 10.1886 10.1886 10.4912 10.4912 12.8871 12.8871 k = 0.5000 0.5000 0.4392 ( 5932 PWs) bands (ev): -63.3646 -63.3646 -35.4900 -35.4900 -34.5589 -34.5589 -34.4697 -34.4697 -23.0694 -23.0694 -17.2694 -17.2694 -16.7017 -16.7017 -16.6974 -16.6974 -6.8547 -6.8547 -6.6064 -6.6064 -6.5853 -6.5853 -0.8036 -0.8036 0.2876 0.2876 0.6867 0.6867 0.6990 0.6990 0.7298 0.7298 1.1341 1.1341 2.4573 2.4573 2.4741 2.4741 2.5914 2.5914 8.4490 8.4490 8.5112 8.5112 8.5545 8.5545 10.1868 10.1868 10.5232 10.5232 12.8827 12.8827 k = 0.5000 0.5000 0.4526 ( 5940 PWs) bands (ev): -63.3651 -63.3651 -35.4902 -35.4902 -34.5593 -34.5593 -34.4697 -34.4697 -23.0692 -23.0692 -17.2654 -17.2654 -16.7014 -16.7014 -16.6971 -16.6971 -6.8570 -6.8570 -6.6094 -6.6094 -6.5865 -6.5865 -0.8223 -0.8223 0.2862 0.2862 0.6780 0.6780 0.6907 0.6907 0.7295 0.7295 1.1403 1.1403 2.4652 2.4652 2.4822 2.4822 2.5919 2.5919 8.4496 8.4496 8.5205 8.5205 8.5634 8.5634 10.1865 10.1865 10.5500 10.5500 12.8787 12.8788 k = 0.5000 0.5000 0.4659 ( 5924 PWs) bands (ev): -63.3641 -63.3641 -35.4901 -35.4901 -34.5592 -34.5592 -34.4696 -34.4696 -23.0690 -23.0690 -17.2619 -17.2619 -16.7012 -16.7012 -16.6969 -16.6969 -6.8589 -6.8589 -6.6120 -6.6120 -6.5875 -6.5875 -0.8382 -0.8382 0.2856 0.2856 0.6708 0.6708 0.6837 0.6837 0.7295 0.7295 1.1457 1.1457 2.4719 2.4719 2.4890 2.4890 2.5924 2.5924 8.4526 8.4526 8.5323 8.5323 8.5748 8.5748 10.1866 10.1866 10.5791 10.5791 12.8753 12.8753 k = 0.5000 0.5000 0.4792 ( 5924 PWs) bands (ev): -63.3641 -63.3641 -35.4902 -35.4902 -34.5594 -34.5594 -34.4696 -34.4696 -23.0689 -23.0689 -17.2591 -17.2591 -16.7010 -16.7010 -16.6967 -16.6967 -6.8605 -6.8605 -6.6141 -6.6141 -6.5883 -6.5883 -0.8515 -0.8515 0.2848 0.2848 0.6648 0.6648 0.6777 0.6777 0.7295 0.7295 1.1501 1.1501 2.4774 2.4774 2.4946 2.4946 2.5928 2.5928 8.4532 8.4532 8.5404 8.5404 8.5826 8.5826 10.1866 10.1866 10.5989 10.5989 12.8722 12.8722 k = 0.5000 0.5000 0.4925 ( 5916 PWs) bands (ev): -63.3635 -63.3635 -35.4902 -35.4902 -34.5594 -34.5594 -34.4695 -34.4695 -23.0687 -23.0687 -17.2569 -17.2569 -16.7008 -16.7008 -16.6965 -16.6965 -6.8618 -6.8618 -6.6158 -6.6158 -6.5890 -6.5890 -0.8618 -0.8618 0.2843 0.2843 0.6602 0.6602 0.6732 0.6732 0.7295 0.7295 1.1536 1.1536 2.4817 2.4817 2.4989 2.4989 2.5932 2.5932 8.4538 8.4538 8.5482 8.5482 8.5902 8.5902 10.1868 10.1868 10.6170 10.6170 12.8696 12.8696 k = 0.5000 0.5000 0.5058 ( 5904 PWs) bands (ev): -63.3628 -63.3628 -35.4901 -35.4901 -34.5594 -34.5594 -34.4694 -34.4694 -23.0686 -23.0686 -17.2553 -17.2553 -16.7007 -16.7007 -16.6964 -16.6964 -6.8627 -6.8627 -6.6169 -6.6169 -6.5895 -6.5895 -0.8693 -0.8693 0.2839 0.2839 0.6569 0.6569 0.6699 0.6699 0.7296 0.7296 1.1561 1.1561 2.4847 2.4847 2.5020 2.5020 2.5934 2.5934 8.4558 8.4558 8.5557 8.5557 8.5975 8.5975 10.1877 10.1877 10.6282 10.6282 12.8676 12.8676 k = 0.5000 0.5000 0.5191 ( 5896 PWs) bands (ev): -63.3623 -63.3623 -35.4901 -35.4901 -34.5594 -34.5594 -34.4693 -34.4693 -23.0686 -23.0686 -17.2543 -17.2543 -16.7007 -16.7007 -16.6964 -16.6964 -6.8632 -6.8632 -6.6176 -6.6176 -6.5897 -6.5897 -0.8738 -0.8738 0.2834 0.2834 0.6550 0.6550 0.6680 0.6680 0.7296 0.7296 1.1577 1.1577 2.4866 2.4866 2.5039 2.5039 2.5936 2.5936 8.4572 8.4572 8.5620 8.5620 8.6037 8.6037 10.1882 10.1882 10.6310 10.6310 12.8663 12.8663 k = 0.5000 0.5000 0.5324 ( 5896 PWs) bands (ev): -63.3623 -63.3623 -35.4901 -35.4901 -34.5594 -34.5594 -34.4693 -34.4693 -23.0686 -23.0686 -17.2540 -17.2540 -16.7006 -16.7006 -16.6963 -16.6963 -6.8634 -6.8634 -6.6179 -6.6179 -6.5898 -6.5898 -0.8753 -0.8753 0.2833 0.2833 0.6544 0.6544 0.6674 0.6674 0.7296 0.7296 1.1582 1.1582 2.4872 2.4872 2.5045 2.5045 2.5936 2.5936 8.4573 8.4573 8.5629 8.5629 8.6046 8.6046 10.1882 10.1882 10.6333 10.6333 12.8659 12.8659 Writing output data file KCrF3.save init_run : 0.19s CPU 0.48s WALL ( 1 calls) electrons : 182.36s CPU 186.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 182.35s CPU 186.07s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 383 calls) cegterg : 166.04s CPU 167.96s WALL ( 568 calls) Called by sum_band: Called by *egterg: h_psi : 106.97s CPU 108.94s WALL ( 8751 calls) s_psi : 3.36s CPU 3.42s WALL ( 8751 calls) g_psi : 0.34s CPU 0.33s WALL ( 7800 calls) cdiaghg : 47.42s CPU 47.68s WALL ( 8183 calls) cegterg:over : 7.62s CPU 7.44s WALL ( 7800 calls) cegterg:upda : 6.14s CPU 6.37s WALL ( 7800 calls) cegterg:last : 3.91s CPU 3.92s WALL ( 1334 calls) cdiaghg:chol : 2.78s CPU 2.73s WALL ( 8183 calls) cdiaghg:inve : 1.70s CPU 1.71s WALL ( 8183 calls) cdiaghg:para : 2.84s CPU 2.76s WALL ( 16366 calls) Called by h_psi: h_psi:vloc : 96.76s CPU 98.56s WALL ( 8751 calls) h_psi:vnl : 9.91s CPU 10.03s WALL ( 8751 calls) add_vuspsi : 4.62s CPU 4.82s WALL ( 8751 calls) General routines calbec : 5.24s CPU 5.19s WALL ( 8751 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 92.14s CPU 94.02s WALL ( 810816 calls) davcio : 0.30s CPU 0.37s WALL ( 766 calls) Parallel routines fft_scatter : 34.69s CPU 35.55s WALL ( 810831 calls) PWSCF : 3m24.43s CPU 3m54.64s WALL This run was terminated on: 17:30:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=