Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 6:47 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: ./RbAuC2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 59 23 7 2553 627 101 Max 60 24 8 2560 644 107 Sum 2145 853 253 92033 22885 3763 bravais-lattice index = 14 lattice parameter (alat) = 7.9746 a.u. unit-cell volume = 623.7187 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.974644 celldm(2)= 1.000000 celldm(3)= 1.229858 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.229858 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.813102 ) PseudoPot. # 1 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 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 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Rb 9.00 85.46780 Rb( 1.00) C 4.00 12.01070 C( 1.00) Au 11.00 196.96660 Au( 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= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0027778 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0027778 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0027778 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0027778 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0027778 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0027778 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0027778 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0027778 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0027778 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0027778 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0027778 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0027778 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0027778 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0027778 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0027778 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0027778 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0027778 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0027778 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0027778 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0027778 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0027778 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0027778 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0027778 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0027778 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0027778 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0027778 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0027778 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0027778 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0027778 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0027778 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0027778 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0027778 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0027778 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0027778 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0027778 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0027778 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0027778 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0027778 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0027778 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0027778 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0027778 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0027778 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0027778 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0027778 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0027778 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0027778 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027778 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0027778 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0027778 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0027778 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0027778 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0027778 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0027778 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0027778 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0027778 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0027778 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0027778 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0027778 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0027778 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0027778 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0027778 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0027778 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0027778 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0027778 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0027778 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0027778 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0027778 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0027778 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0027778 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0027778 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0027778 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0027778 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0027778 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0027778 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0027778 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0027778 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0027778 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0027778 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0027778 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0027778 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0027778 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0027778 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0027778 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0027778 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0027778 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0027778 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0027778 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0027778 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0027778 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0027778 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0027778 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0027778 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0027778 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0027778 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0027778 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0027778 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0027778 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0027778 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0027778 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0027778 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0027778 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0027778 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0027778 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0027778 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0027778 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0027778 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0027778 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 134) = ( 0.0000000 0.0000000 0.0131145), wk = 0.0027778 k( 135) = ( 0.0000000 0.0000000 0.0262291), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0393437), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0524582), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0655728), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0786873), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.0918019), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.1049164), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.1180310), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.1311455), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.1442600), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.1573746), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.1704892), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.1836037), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.1967183), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.2098328), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.2229474), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.2360619), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.2491765), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.2622910), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.2754056), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.2885201), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.3016347), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.3147492), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.3278638), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.3409783), wk = 0.0027778 k( 160) = ( 0.0000000 0.0000000 0.3540929), wk = 0.0027778 k( 161) = ( 0.0000000 0.0000000 0.3672074), wk = 0.0027778 k( 162) = ( 0.0000000 0.0000000 0.3803220), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.3934365), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.4065511), wk = 0.0027778 k( 165) = ( 0.0000000 0.0000000 0.4065511), wk = 0.0027778 k( 166) = ( 0.0000000 0.0131579 0.4065511), wk = 0.0027778 k( 167) = ( 0.0000000 0.0263158 0.4065511), wk = 0.0027778 k( 168) = ( 0.0000000 0.0394737 0.4065511), wk = 0.0027778 k( 169) = ( 0.0000000 0.0526316 0.4065511), wk = 0.0027778 k( 170) = ( 0.0000000 0.0657895 0.4065511), wk = 0.0027778 k( 171) = ( 0.0000000 0.0789474 0.4065511), wk = 0.0027778 k( 172) = ( 0.0000000 0.0921053 0.4065511), wk = 0.0027778 k( 173) = ( 0.0000000 0.1052632 0.4065511), wk = 0.0027778 k( 174) = ( 0.0000000 0.1184210 0.4065511), wk = 0.0027778 k( 175) = ( 0.0000000 0.1315790 0.4065511), wk = 0.0027778 k( 176) = ( 0.0000000 0.1447368 0.4065511), wk = 0.0027778 k( 177) = ( 0.0000000 0.1578947 0.4065511), wk = 0.0027778 k( 178) = ( 0.0000000 0.1710526 0.4065511), wk = 0.0027778 k( 179) = ( 0.0000000 0.1842105 0.4065511), wk = 0.0027778 k( 180) = ( 0.0000000 0.1973684 0.4065511), wk = 0.0027778 k( 181) = ( 0.0000000 0.2105263 0.4065511), wk = 0.0027778 k( 182) = ( 0.0000000 0.2236842 0.4065511), wk = 0.0027778 k( 183) = ( 0.0000000 0.2368421 0.4065511), wk = 0.0027778 k( 184) = ( 0.0000000 0.2500000 0.4065511), wk = 0.0027778 k( 185) = ( 0.0000000 0.2631579 0.4065511), wk = 0.0027778 k( 186) = ( 0.0000000 0.2763158 0.4065511), wk = 0.0027778 k( 187) = ( 0.0000000 0.2894737 0.4065511), wk = 0.0027778 k( 188) = ( 0.0000000 0.3026316 0.4065511), wk = 0.0027778 k( 189) = ( 0.0000000 0.3157895 0.4065511), wk = 0.0027778 k( 190) = ( 0.0000000 0.3289474 0.4065511), wk = 0.0027778 k( 191) = ( 0.0000000 0.3421053 0.4065511), wk = 0.0027778 k( 192) = ( 0.0000000 0.3552632 0.4065511), wk = 0.0027778 k( 193) = ( 0.0000000 0.3684211 0.4065511), wk = 0.0027778 k( 194) = ( 0.0000000 0.3815789 0.4065511), wk = 0.0027778 k( 195) = ( 0.0000000 0.3947368 0.4065511), wk = 0.0027778 k( 196) = ( 0.0000000 0.4078947 0.4065511), wk = 0.0027778 k( 197) = ( 0.0000000 0.4210526 0.4065511), wk = 0.0027778 k( 198) = ( 0.0000000 0.4342105 0.4065511), wk = 0.0027778 k( 199) = ( 0.0000000 0.4473684 0.4065511), wk = 0.0027778 k( 200) = ( 0.0000000 0.4605263 0.4065511), wk = 0.0027778 k( 201) = ( 0.0000000 0.4736842 0.4065511), wk = 0.0027778 k( 202) = ( 0.0000000 0.4868421 0.4065511), wk = 0.0027778 k( 203) = ( 0.0000000 0.5000000 0.4065511), wk = 0.0027778 k( 204) = ( 0.0000000 0.5000000 0.4065511), wk = 0.0027778 k( 205) = ( 0.0131579 0.5000000 0.4065511), wk = 0.0027778 k( 206) = ( 0.0263158 0.5000000 0.4065511), wk = 0.0027778 k( 207) = ( 0.0394737 0.5000000 0.4065511), wk = 0.0027778 k( 208) = ( 0.0526316 0.5000000 0.4065511), wk = 0.0027778 k( 209) = ( 0.0657895 0.5000000 0.4065511), wk = 0.0027778 k( 210) = ( 0.0789474 0.5000000 0.4065511), wk = 0.0027778 k( 211) = ( 0.0921053 0.5000000 0.4065511), wk = 0.0027778 k( 212) = ( 0.1052632 0.5000000 0.4065511), wk = 0.0027778 k( 213) = ( 0.1184210 0.5000000 0.4065511), wk = 0.0027778 k( 214) = ( 0.1315790 0.5000000 0.4065511), wk = 0.0027778 k( 215) = ( 0.1447368 0.5000000 0.4065511), wk = 0.0027778 k( 216) = ( 0.1578947 0.5000000 0.4065511), wk = 0.0027778 k( 217) = ( 0.1710526 0.5000000 0.4065511), wk = 0.0027778 k( 218) = ( 0.1842105 0.5000000 0.4065511), wk = 0.0027778 k( 219) = ( 0.1973684 0.5000000 0.4065511), wk = 0.0027778 k( 220) = ( 0.2105263 0.5000000 0.4065511), wk = 0.0027778 k( 221) = ( 0.2236842 0.5000000 0.4065511), wk = 0.0027778 k( 222) = ( 0.2368421 0.5000000 0.4065511), wk = 0.0027778 k( 223) = ( 0.2500000 0.5000000 0.4065511), wk = 0.0027778 k( 224) = ( 0.2631579 0.5000000 0.4065511), wk = 0.0027778 k( 225) = ( 0.2763158 0.5000000 0.4065511), wk = 0.0027778 k( 226) = ( 0.2894737 0.5000000 0.4065511), wk = 0.0027778 k( 227) = ( 0.3026316 0.5000000 0.4065511), wk = 0.0027778 k( 228) = ( 0.3157895 0.5000000 0.4065511), wk = 0.0027778 k( 229) = ( 0.3289474 0.5000000 0.4065511), wk = 0.0027778 k( 230) = ( 0.3421053 0.5000000 0.4065511), wk = 0.0027778 k( 231) = ( 0.3552632 0.5000000 0.4065511), wk = 0.0027778 k( 232) = ( 0.3684211 0.5000000 0.4065511), wk = 0.0027778 k( 233) = ( 0.3815789 0.5000000 0.4065511), wk = 0.0027778 k( 234) = ( 0.3947368 0.5000000 0.4065511), wk = 0.0027778 k( 235) = ( 0.4078947 0.5000000 0.4065511), wk = 0.0027778 k( 236) = ( 0.4210526 0.5000000 0.4065511), wk = 0.0027778 k( 237) = ( 0.4342105 0.5000000 0.4065511), wk = 0.0027778 k( 238) = ( 0.4473684 0.5000000 0.4065511), wk = 0.0027778 k( 239) = ( 0.4605263 0.5000000 0.4065511), wk = 0.0027778 k( 240) = ( 0.4736842 0.5000000 0.4065511), wk = 0.0027778 k( 241) = ( 0.4868421 0.5000000 0.4065511), wk = 0.0027778 k( 242) = ( 0.5000000 0.5000000 0.4065511), wk = 0.0027778 k( 243) = ( 0.5000000 0.5000000 0.4065511), wk = 0.0027778 k( 244) = ( 0.4905660 0.4905660 0.4065511), wk = 0.0027778 k( 245) = ( 0.4811321 0.4811321 0.4065511), wk = 0.0027778 k( 246) = ( 0.4716981 0.4716981 0.4065511), wk = 0.0027778 k( 247) = ( 0.4622641 0.4622641 0.4065511), wk = 0.0027778 k( 248) = ( 0.4528302 0.4528302 0.4065511), wk = 0.0027778 k( 249) = ( 0.4433962 0.4433962 0.4065511), wk = 0.0027778 k( 250) = ( 0.4339623 0.4339623 0.4065511), wk = 0.0027778 k( 251) = ( 0.4245283 0.4245283 0.4065511), wk = 0.0027778 k( 252) = ( 0.4150943 0.4150943 0.4065511), wk = 0.0027778 k( 253) = ( 0.4056604 0.4056604 0.4065511), wk = 0.0027778 k( 254) = ( 0.3962264 0.3962264 0.4065511), wk = 0.0027778 k( 255) = ( 0.3867925 0.3867924 0.4065511), wk = 0.0027778 k( 256) = ( 0.3773585 0.3773585 0.4065511), wk = 0.0027778 k( 257) = ( 0.3679245 0.3679245 0.4065511), wk = 0.0027778 k( 258) = ( 0.3584906 0.3584906 0.4065511), wk = 0.0027778 k( 259) = ( 0.3490566 0.3490566 0.4065511), wk = 0.0027778 k( 260) = ( 0.3396226 0.3396226 0.4065511), wk = 0.0027778 k( 261) = ( 0.3301887 0.3301887 0.4065511), wk = 0.0027778 k( 262) = ( 0.3207547 0.3207547 0.4065511), wk = 0.0027778 k( 263) = ( 0.3113207 0.3113207 0.4065511), wk = 0.0027778 k( 264) = ( 0.3018868 0.3018868 0.4065511), wk = 0.0027778 k( 265) = ( 0.2924528 0.2924528 0.4065511), wk = 0.0027778 k( 266) = ( 0.2830189 0.2830189 0.4065511), wk = 0.0027778 k( 267) = ( 0.2735849 0.2735849 0.4065511), wk = 0.0027778 k( 268) = ( 0.2641509 0.2641509 0.4065511), wk = 0.0027778 k( 269) = ( 0.2547170 0.2547170 0.4065511), wk = 0.0027778 k( 270) = ( 0.2452830 0.2452830 0.4065511), wk = 0.0027778 k( 271) = ( 0.2358491 0.2358491 0.4065511), wk = 0.0027778 k( 272) = ( 0.2264151 0.2264151 0.4065511), wk = 0.0027778 k( 273) = ( 0.2169811 0.2169811 0.4065511), wk = 0.0027778 k( 274) = ( 0.2075472 0.2075472 0.4065511), wk = 0.0027778 k( 275) = ( 0.1981132 0.1981132 0.4065511), wk = 0.0027778 k( 276) = ( 0.1886792 0.1886792 0.4065511), wk = 0.0027778 k( 277) = ( 0.1792453 0.1792453 0.4065511), wk = 0.0027778 k( 278) = ( 0.1698113 0.1698113 0.4065511), wk = 0.0027778 k( 279) = ( 0.1603774 0.1603774 0.4065511), wk = 0.0027778 k( 280) = ( 0.1509434 0.1509434 0.4065511), wk = 0.0027778 k( 281) = ( 0.1415094 0.1415094 0.4065511), wk = 0.0027778 k( 282) = ( 0.1320755 0.1320755 0.4065511), wk = 0.0027778 k( 283) = ( 0.1226415 0.1226415 0.4065511), wk = 0.0027778 k( 284) = ( 0.1132076 0.1132075 0.4065511), wk = 0.0027778 k( 285) = ( 0.1037736 0.1037736 0.4065511), wk = 0.0027778 k( 286) = ( 0.0943396 0.0943396 0.4065511), wk = 0.0027778 k( 287) = ( 0.0849057 0.0849057 0.4065511), wk = 0.0027778 k( 288) = ( 0.0754717 0.0754717 0.4065511), wk = 0.0027778 k( 289) = ( 0.0660377 0.0660377 0.4065511), wk = 0.0027778 k( 290) = ( 0.0566038 0.0566038 0.4065511), wk = 0.0027778 k( 291) = ( 0.0471698 0.0471698 0.4065511), wk = 0.0027778 k( 292) = ( 0.0377359 0.0377358 0.4065511), wk = 0.0027778 k( 293) = ( 0.0283019 0.0283019 0.4065511), wk = 0.0027778 k( 294) = ( 0.0188679 0.0188679 0.4065511), wk = 0.0027778 k( 295) = ( 0.0094340 0.0094340 0.4065511), wk = 0.0027778 k( 296) = ( 0.0000000 0.0000000 0.4065511), wk = 0.0027778 k( 297) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 298) = ( 0.0000000 0.5000000 0.0131145), wk = 0.0027778 k( 299) = ( 0.0000000 0.5000000 0.0262291), wk = 0.0027778 k( 300) = ( 0.0000000 0.5000000 0.0393437), wk = 0.0027778 k( 301) = ( 0.0000000 0.5000000 0.0524582), wk = 0.0027778 k( 302) = ( 0.0000000 0.5000000 0.0655728), wk = 0.0027778 k( 303) = ( 0.0000000 0.5000000 0.0786873), wk = 0.0027778 k( 304) = ( 0.0000000 0.5000000 0.0918019), wk = 0.0027778 k( 305) = ( 0.0000000 0.5000000 0.1049164), wk = 0.0027778 k( 306) = ( 0.0000000 0.5000000 0.1180310), wk = 0.0027778 k( 307) = ( 0.0000000 0.5000000 0.1311455), wk = 0.0027778 k( 308) = ( 0.0000000 0.5000000 0.1442600), wk = 0.0027778 k( 309) = ( 0.0000000 0.5000000 0.1573746), wk = 0.0027778 k( 310) = ( 0.0000000 0.5000000 0.1704892), wk = 0.0027778 k( 311) = ( 0.0000000 0.5000000 0.1836037), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 0.1967183), wk = 0.0027778 k( 313) = ( 0.0000000 0.5000000 0.2098328), wk = 0.0027778 k( 314) = ( 0.0000000 0.5000000 0.2229474), wk = 0.0027778 k( 315) = ( 0.0000000 0.5000000 0.2360619), wk = 0.0027778 k( 316) = ( 0.0000000 0.5000000 0.2491765), wk = 0.0027778 k( 317) = ( 0.0000000 0.5000000 0.2622910), wk = 0.0027778 k( 318) = ( 0.0000000 0.5000000 0.2754056), wk = 0.0027778 k( 319) = ( 0.0000000 0.5000000 0.2885201), wk = 0.0027778 k( 320) = ( 0.0000000 0.5000000 0.3016347), wk = 0.0027778 k( 321) = ( 0.0000000 0.5000000 0.3147492), wk = 0.0027778 k( 322) = ( 0.0000000 0.5000000 0.3278638), wk = 0.0027778 k( 323) = ( 0.0000000 0.5000000 0.3409783), wk = 0.0027778 k( 324) = ( 0.0000000 0.5000000 0.3540929), wk = 0.0027778 k( 325) = ( 0.0000000 0.5000000 0.3672074), wk = 0.0027778 k( 326) = ( 0.0000000 0.5000000 0.3803220), wk = 0.0027778 k( 327) = ( 0.0000000 0.5000000 0.3934365), wk = 0.0027778 k( 328) = ( 0.0000000 0.5000000 0.4065511), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 0.0131145), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 0.0262291), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 0.0393437), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 0.0524582), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 0.0655728), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 0.0786873), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 0.0918019), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 0.1049164), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.1180310), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.1311455), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.1442600), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.1573746), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.1704892), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.1836037), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.1967183), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.2098328), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.2229474), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.2360619), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.2491765), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.2622910), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.2754056), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.2885201), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.3016347), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.3147492), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.3278638), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.3409783), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.3540929), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.3672074), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.3803220), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.3934365), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.4065511), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0027778 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0027778 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0027778 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0027778 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0027778 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0027778 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0027778 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0027778 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0027778 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0027778 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0027778 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0027778 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0027778 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0027778 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0027778 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0027778 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0027778 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0027778 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0027778 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0027778 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0027778 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0027778 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0027778 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0027778 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0027778 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0027778 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0027778 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0027778 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0027778 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0027778 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0027778 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0027778 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0027778 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0027778 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0027778 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0027778 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0027778 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0027778 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0027778 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0027778 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0027778 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0027778 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0027778 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0027778 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0027778 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0027778 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027778 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0027778 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0027778 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0027778 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0027778 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0027778 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0027778 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0027778 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0027778 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0027778 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0027778 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0027778 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0027778 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0027778 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0027778 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0027778 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0027778 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0027778 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0027778 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0027778 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0027778 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0027778 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0027778 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0027778 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0027778 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0027778 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0027778 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0027778 k( 91) = ( 0.3867925 0.3867925 -0.0000000), wk = 0.0027778 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0027778 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0027778 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0027778 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0027778 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0027778 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0027778 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0027778 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0027778 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0027778 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0027778 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0027778 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0027778 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0027778 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0027778 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0027778 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0027778 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0027778 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0027778 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0027778 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0027778 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0027778 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0027778 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0027778 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0027778 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0027778 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0027778 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0027778 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0027778 k( 120) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0027778 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0027778 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0377359 0.0377359 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0027778 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0027778 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0027778 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 134) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0027778 k( 135) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0027778 k( 160) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0027778 k( 161) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0027778 k( 162) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 166) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0027778 k( 167) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0027778 k( 168) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0027778 k( 169) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0027778 k( 170) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0027778 k( 171) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0027778 k( 172) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0027778 k( 173) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0027778 k( 174) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0027778 k( 175) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0027778 k( 176) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0027778 k( 177) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0027778 k( 178) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0027778 k( 179) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0027778 k( 180) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0027778 k( 181) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0027778 k( 182) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0027778 k( 183) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0027778 k( 184) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027778 k( 185) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0027778 k( 186) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0027778 k( 187) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0027778 k( 188) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0027778 k( 189) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0027778 k( 190) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0027778 k( 191) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0027778 k( 192) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0027778 k( 193) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0027778 k( 194) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0027778 k( 195) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0027778 k( 196) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0027778 k( 197) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0027778 k( 198) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0027778 k( 199) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0027778 k( 200) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0027778 k( 201) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0027778 k( 202) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0027778 k( 203) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 204) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 205) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0027778 k( 206) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0027778 k( 207) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0027778 k( 208) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0027778 k( 209) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0027778 k( 210) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0027778 k( 211) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0027778 k( 212) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0027778 k( 213) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0027778 k( 214) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0027778 k( 215) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0027778 k( 216) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0027778 k( 217) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0027778 k( 218) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0027778 k( 219) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0027778 k( 220) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0027778 k( 221) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0027778 k( 222) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0027778 k( 223) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027778 k( 224) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0027778 k( 225) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0027778 k( 226) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0027778 k( 227) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0027778 k( 228) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0027778 k( 229) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0027778 k( 230) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0027778 k( 231) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0027778 k( 232) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0027778 k( 233) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0027778 k( 234) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0027778 k( 235) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0027778 k( 236) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0027778 k( 237) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0027778 k( 238) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0027778 k( 239) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0027778 k( 240) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0027778 k( 241) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0027778 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 243) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 244) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0027778 k( 245) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0027778 k( 246) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0027778 k( 247) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0027778 k( 248) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0027778 k( 249) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0027778 k( 250) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0027778 k( 251) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0027778 k( 252) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0027778 k( 253) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0027778 k( 254) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0027778 k( 255) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0027778 k( 256) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0027778 k( 257) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0027778 k( 258) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0027778 k( 259) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0027778 k( 260) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0027778 k( 261) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0027778 k( 262) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0027778 k( 263) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0027778 k( 264) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0027778 k( 265) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0027778 k( 266) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0027778 k( 267) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0027778 k( 268) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0027778 k( 269) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0027778 k( 270) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0027778 k( 271) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0027778 k( 272) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0027778 k( 273) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0027778 k( 274) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0027778 k( 275) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0027778 k( 276) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0027778 k( 277) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0027778 k( 278) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0027778 k( 279) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0027778 k( 280) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0027778 k( 281) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0027778 k( 282) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0027778 k( 283) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0027778 k( 284) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0027778 k( 285) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0027778 k( 286) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0027778 k( 287) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0027778 k( 288) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0027778 k( 289) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0027778 k( 290) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0027778 k( 291) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0027778 k( 292) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0027778 k( 293) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0027778 k( 294) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0027778 k( 295) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0027778 k( 296) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 297) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 298) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0027778 k( 299) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0027778 k( 300) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0027778 k( 301) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0027778 k( 302) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0027778 k( 303) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0027778 k( 304) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0027778 k( 305) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0027778 k( 306) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0027778 k( 307) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0027778 k( 308) = ( 0.0000000 0.5000000 0.1774193), wk = 0.0027778 k( 309) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0027778 k( 310) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0027778 k( 311) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0027778 k( 313) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0027778 k( 314) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0027778 k( 315) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0027778 k( 316) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0027778 k( 317) = ( 0.0000000 0.5000000 0.3225806), wk = 0.0027778 k( 318) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0027778 k( 319) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0027778 k( 320) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0027778 k( 321) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0027778 k( 322) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0027778 k( 323) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0027778 k( 324) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0027778 k( 325) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0027778 k( 326) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0027778 k( 327) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0027778 k( 328) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.3225806), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 Dense grid: 92033 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 22885 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 184, 36) NL pseudopotentials 0.13 Mb ( 92, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2560) G-vector shells 0.01 Mb ( 1145) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 184, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 96, 2, 36) The potential is recalculated from file : ./RbAuC2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.1 secs Computing kpt #: 15 total cpu time spent up to now is 8.3 secs Computing kpt #: 16 total cpu time spent up to now is 8.6 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 9.1 secs Computing kpt #: 19 total cpu time spent up to now is 9.3 secs Computing kpt #: 20 total cpu time spent up to now is 9.6 secs Computing kpt #: 21 total cpu time spent up to now is 9.9 secs Computing kpt #: 22 total cpu time spent up to now is 10.2 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.7 secs Computing kpt #: 25 total cpu time spent up to now is 11.0 secs Computing kpt #: 26 total cpu time spent up to now is 11.3 secs Computing kpt #: 27 total cpu time spent up to now is 11.6 secs Computing kpt #: 28 total cpu time spent up to now is 11.9 secs Computing kpt #: 29 total cpu time spent up to now is 12.2 secs Computing kpt #: 30 total cpu time spent up to now is 12.5 secs Computing kpt #: 31 total cpu time spent up to now is 12.8 secs Computing kpt #: 32 total cpu time spent up to now is 13.1 secs Computing kpt #: 33 total cpu time spent up to now is 13.5 secs Computing kpt #: 34 total cpu time spent up to now is 13.9 secs Computing kpt #: 35 total cpu time spent up to now is 14.3 secs Computing kpt #: 36 total cpu time spent up to now is 14.7 secs Computing kpt #: 37 total cpu time spent up to now is 15.0 secs Computing kpt #: 38 total cpu time spent up to now is 15.4 secs Computing kpt #: 39 total cpu time spent up to now is 15.8 secs Computing kpt #: 40 total cpu time spent up to now is 16.1 secs Computing kpt #: 41 total cpu time spent up to now is 16.5 secs Computing kpt #: 42 total cpu time spent up to now is 16.8 secs Computing kpt #: 43 total cpu time spent up to now is 17.2 secs Computing kpt #: 44 total cpu time spent up to now is 17.7 secs Computing kpt #: 45 total cpu time spent up to now is 18.0 secs Computing kpt #: 46 total cpu time spent up to now is 18.3 secs Computing kpt #: 47 total cpu time spent up to now is 18.6 secs Computing kpt #: 48 total cpu time spent up to now is 18.8 secs Computing kpt #: 49 total cpu time spent up to now is 19.1 secs Computing kpt #: 50 total cpu time spent up to now is 19.3 secs Computing kpt #: 51 total cpu time spent up to now is 19.6 secs Computing kpt #: 52 total cpu time spent up to now is 19.9 secs Computing kpt #: 53 total cpu time spent up to now is 20.1 secs Computing kpt #: 54 total cpu time spent up to now is 20.4 secs Computing kpt #: 55 total cpu time spent up to now is 20.7 secs Computing kpt #: 56 total cpu time spent up to now is 21.0 secs Computing kpt #: 57 total cpu time spent up to now is 21.3 secs Computing kpt #: 58 total cpu time spent up to now is 21.6 secs Computing kpt #: 59 total cpu time spent up to now is 21.9 secs Computing kpt #: 60 total cpu time spent up to now is 22.1 secs Computing kpt #: 61 total cpu time spent up to now is 22.3 secs Computing kpt #: 62 total cpu time spent up to now is 22.6 secs Computing kpt #: 63 total cpu time spent up to now is 22.8 secs Computing kpt #: 64 total cpu time spent up to now is 23.1 secs Computing kpt #: 65 total cpu time spent up to now is 23.3 secs Computing kpt #: 66 total cpu time spent up to now is 23.5 secs Computing kpt #: 67 total cpu time spent up to now is 23.8 secs Computing kpt #: 68 total cpu time spent up to now is 24.0 secs Computing kpt #: 69 total cpu time spent up to now is 24.3 secs Computing kpt #: 70 total cpu time spent up to now is 24.5 secs Computing kpt #: 71 total cpu time spent up to now is 24.7 secs Computing kpt #: 72 total cpu time spent up to now is 25.0 secs Computing kpt #: 73 total cpu time spent up to now is 25.2 secs Computing kpt #: 74 total cpu time spent up to now is 25.5 secs Computing kpt #: 75 total cpu time spent up to now is 25.7 secs Computing kpt #: 76 total cpu time spent up to now is 26.0 secs Computing kpt #: 77 total cpu time spent up to now is 26.2 secs Computing kpt #: 78 total cpu time spent up to now is 26.5 secs Computing kpt #: 79 total cpu time spent up to now is 26.7 secs Computing kpt #: 80 total cpu time spent up to now is 27.0 secs Computing kpt #: 81 total cpu time spent up to now is 27.2 secs Computing kpt #: 82 total cpu time spent up to now is 27.5 secs Computing kpt #: 83 total cpu time spent up to now is 27.7 secs Computing kpt #: 84 total cpu time spent up to now is 28.0 secs Computing kpt #: 85 total cpu time spent up to now is 28.2 secs Computing kpt #: 86 total cpu time spent up to now is 28.5 secs Computing kpt #: 87 total cpu time spent up to now is 28.7 secs Computing kpt #: 88 total cpu time spent up to now is 28.9 secs Computing kpt #: 89 total cpu time spent up to now is 29.2 secs Computing kpt #: 90 total cpu time spent up to now is 29.4 secs Computing kpt #: 91 total cpu time spent up to now is 29.7 secs Computing kpt #: 92 total cpu time spent up to now is 29.9 secs Computing kpt #: 93 total cpu time spent up to now is 30.2 secs Computing kpt #: 94 total cpu time spent up to now is 30.4 secs Computing kpt #: 95 total cpu time spent up to now is 30.6 secs Computing kpt #: 96 total cpu time spent up to now is 30.9 secs Computing kpt #: 97 total cpu time spent up to now is 31.1 secs Computing kpt #: 98 total cpu time spent up to now is 31.4 secs Computing kpt #: 99 total cpu time spent up to now is 31.6 secs Computing kpt #: 100 total cpu time spent up to now is 31.9 secs Computing kpt #: 101 total cpu time spent up to now is 32.1 secs Computing kpt #: 102 total cpu time spent up to now is 32.4 secs Computing kpt #: 103 total cpu time spent up to now is 32.6 secs Computing kpt #: 104 total cpu time spent up to now is 32.8 secs Computing kpt #: 105 total cpu time spent up to now is 33.1 secs Computing kpt #: 106 total cpu time spent up to now is 33.3 secs Computing kpt #: 107 total cpu time spent up to now is 33.6 secs Computing kpt #: 108 total cpu time spent up to now is 33.8 secs Computing kpt #: 109 total cpu time spent up to now is 34.1 secs Computing kpt #: 110 total cpu time spent up to now is 34.3 secs Computing kpt #: 111 total cpu time spent up to now is 34.6 secs Computing kpt #: 112 total cpu time spent up to now is 34.8 secs Computing kpt #: 113 total cpu time spent up to now is 35.1 secs Computing kpt #: 114 total cpu time spent up to now is 35.3 secs Computing kpt #: 115 total cpu time spent up to now is 35.6 secs Computing kpt #: 116 total cpu time spent up to now is 35.8 secs Computing kpt #: 117 total cpu time spent up to now is 36.1 secs Computing kpt #: 118 total cpu time spent up to now is 36.3 secs Computing kpt #: 119 total cpu time spent up to now is 36.6 secs Computing kpt #: 120 total cpu time spent up to now is 36.8 secs Computing kpt #: 121 total cpu time spent up to now is 37.1 secs Computing kpt #: 122 total cpu time spent up to now is 37.4 secs Computing kpt #: 123 total cpu time spent up to now is 37.6 secs Computing kpt #: 124 total cpu time spent up to now is 37.9 secs Computing kpt #: 125 total cpu time spent up to now is 38.1 secs Computing kpt #: 126 total cpu time spent up to now is 38.4 secs Computing kpt #: 127 total cpu time spent up to now is 38.7 secs Computing kpt #: 128 total cpu time spent up to now is 39.0 secs Computing kpt #: 129 total cpu time spent up to now is 39.3 secs Computing kpt #: 130 total cpu time spent up to now is 39.6 secs Computing kpt #: 131 total cpu time spent up to now is 39.9 secs Computing kpt #: 132 total cpu time spent up to now is 40.3 secs Computing kpt #: 133 total cpu time spent up to now is 40.6 secs Computing kpt #: 134 total cpu time spent up to now is 41.0 secs Computing kpt #: 135 total cpu time spent up to now is 41.3 secs Computing kpt #: 136 total cpu time spent up to now is 41.6 secs Computing kpt #: 137 total cpu time spent up to now is 41.9 secs Computing kpt #: 138 total cpu time spent up to now is 42.2 secs Computing kpt #: 139 total cpu time spent up to now is 42.6 secs Computing kpt #: 140 total cpu time spent up to now is 42.9 secs Computing kpt #: 141 total cpu time spent up to now is 43.2 secs Computing kpt #: 142 total cpu time spent up to now is 43.5 secs Computing kpt #: 143 total cpu time spent up to now is 43.8 secs Computing kpt #: 144 total cpu time spent up to now is 44.1 secs Computing kpt #: 145 total cpu time spent up to now is 44.4 secs Computing kpt #: 146 total cpu time spent up to now is 44.7 secs Computing kpt #: 147 total cpu time spent up to now is 45.1 secs Computing kpt #: 148 total cpu time spent up to now is 45.4 secs Computing kpt #: 149 total cpu time spent up to now is 45.7 secs Computing kpt #: 150 total cpu time spent up to now is 46.0 secs Computing kpt #: 151 total cpu time spent up to now is 46.2 secs Computing kpt #: 152 total cpu time spent up to now is 46.5 secs Computing kpt #: 153 total cpu time spent up to now is 46.8 secs Computing kpt #: 154 total cpu time spent up to now is 47.1 secs Computing kpt #: 155 total cpu time spent up to now is 47.4 secs Computing kpt #: 156 total cpu time spent up to now is 47.7 secs Computing kpt #: 157 total cpu time spent up to now is 47.9 secs Computing kpt #: 158 total cpu time spent up to now is 48.2 secs Computing kpt #: 159 total cpu time spent up to now is 48.5 secs Computing kpt #: 160 total cpu time spent up to now is 48.8 secs Computing kpt #: 161 total cpu time spent up to now is 49.1 secs Computing kpt #: 162 total cpu time spent up to now is 49.4 secs Computing kpt #: 163 total cpu time spent up to now is 49.7 secs Computing kpt #: 164 total cpu time spent up to now is 50.0 secs Computing kpt #: 165 total cpu time spent up to now is 50.2 secs Computing kpt #: 166 total cpu time spent up to now is 50.5 secs Computing kpt #: 167 total cpu time spent up to now is 50.8 secs Computing kpt #: 168 total cpu time spent up to now is 51.1 secs Computing kpt #: 169 total cpu time spent up to now is 51.4 secs Computing kpt #: 170 total cpu time spent up to now is 51.6 secs Computing kpt #: 171 total cpu time spent up to now is 52.0 secs Computing kpt #: 172 total cpu time spent up to now is 52.3 secs Computing kpt #: 173 total cpu time spent up to now is 52.6 secs Computing kpt #: 174 total cpu time spent up to now is 52.9 secs Computing kpt #: 175 total cpu time spent up to now is 53.2 secs Computing kpt #: 176 total cpu time spent up to now is 53.5 secs Computing kpt #: 177 total cpu time spent up to now is 53.8 secs Computing kpt #: 178 total cpu time spent up to now is 54.1 secs Computing kpt #: 179 total cpu time spent up to now is 54.4 secs Computing kpt #: 180 total cpu time spent up to now is 54.7 secs Computing kpt #: 181 total cpu time spent up to now is 55.0 secs Computing kpt #: 182 total cpu time spent up to now is 55.3 secs Computing kpt #: 183 total cpu time spent up to now is 55.6 secs Computing kpt #: 184 total cpu time spent up to now is 56.0 secs Computing kpt #: 185 total cpu time spent up to now is 56.3 secs Computing kpt #: 186 total cpu time spent up to now is 56.6 secs Computing kpt #: 187 total cpu time spent up to now is 56.9 secs Computing kpt #: 188 total cpu time spent up to now is 57.2 secs Computing kpt #: 189 total cpu time spent up to now is 57.6 secs Computing kpt #: 190 total cpu time spent up to now is 57.9 secs Computing kpt #: 191 total cpu time spent up to now is 58.3 secs Computing kpt #: 192 total cpu time spent up to now is 58.7 secs Computing kpt #: 193 total cpu time spent up to now is 59.0 secs Computing kpt #: 194 total cpu time spent up to now is 59.4 secs Computing kpt #: 195 total cpu time spent up to now is 59.8 secs Computing kpt #: 196 total cpu time spent up to now is 60.1 secs Computing kpt #: 197 total cpu time spent up to now is 60.4 secs Computing kpt #: 198 total cpu time spent up to now is 60.6 secs Computing kpt #: 199 total cpu time spent up to now is 60.9 secs Computing kpt #: 200 total cpu time spent up to now is 61.2 secs Computing kpt #: 201 total cpu time spent up to now is 61.4 secs Computing kpt #: 202 total cpu time spent up to now is 61.7 secs Computing kpt #: 203 total cpu time spent up to now is 61.9 secs Computing kpt #: 204 total cpu time spent up to now is 62.2 secs Computing kpt #: 205 total cpu time spent up to now is 62.4 secs Computing kpt #: 206 total cpu time spent up to now is 62.7 secs Computing kpt #: 207 total cpu time spent up to now is 62.9 secs Computing kpt #: 208 total cpu time spent up to now is 63.2 secs Computing kpt #: 209 total cpu time spent up to now is 63.5 secs Computing kpt #: 210 total cpu time spent up to now is 63.7 secs Computing kpt #: 211 total cpu time spent up to now is 64.0 secs Computing kpt #: 212 total cpu time spent up to now is 64.3 secs Computing kpt #: 213 total cpu time spent up to now is 64.5 secs Computing kpt #: 214 total cpu time spent up to now is 64.8 secs Computing kpt #: 215 total cpu time spent up to now is 65.0 secs Computing kpt #: 216 total cpu time spent up to now is 65.3 secs Computing kpt #: 217 total cpu time spent up to now is 65.5 secs Computing kpt #: 218 total cpu time spent up to now is 65.8 secs Computing kpt #: 219 total cpu time spent up to now is 66.0 secs Computing kpt #: 220 total cpu time spent up to now is 66.3 secs Computing kpt #: 221 total cpu time spent up to now is 66.5 secs Computing kpt #: 222 total cpu time spent up to now is 66.8 secs Computing kpt #: 223 total cpu time spent up to now is 67.0 secs Computing kpt #: 224 total cpu time spent up to now is 67.3 secs Computing kpt #: 225 total cpu time spent up to now is 67.5 secs Computing kpt #: 226 total cpu time spent up to now is 67.8 secs Computing kpt #: 227 total cpu time spent up to now is 68.0 secs Computing kpt #: 228 total cpu time spent up to now is 68.3 secs Computing kpt #: 229 total cpu time spent up to now is 68.6 secs Computing kpt #: 230 total cpu time spent up to now is 68.8 secs Computing kpt #: 231 total cpu time spent up to now is 69.1 secs Computing kpt #: 232 total cpu time spent up to now is 69.3 secs Computing kpt #: 233 total cpu time spent up to now is 69.7 secs Computing kpt #: 234 total cpu time spent up to now is 70.0 secs Computing kpt #: 235 total cpu time spent up to now is 70.3 secs Computing kpt #: 236 total cpu time spent up to now is 70.6 secs Computing kpt #: 237 total cpu time spent up to now is 70.9 secs Computing kpt #: 238 total cpu time spent up to now is 71.3 secs Computing kpt #: 239 total cpu time spent up to now is 71.6 secs Computing kpt #: 240 total cpu time spent up to now is 72.0 secs Computing kpt #: 241 total cpu time spent up to now is 72.4 secs Computing kpt #: 242 total cpu time spent up to now is 72.7 secs Computing kpt #: 243 total cpu time spent up to now is 73.2 secs Computing kpt #: 244 total cpu time spent up to now is 73.5 secs Computing kpt #: 245 total cpu time spent up to now is 73.9 secs Computing kpt #: 246 total cpu time spent up to now is 74.2 secs Computing kpt #: 247 total cpu time spent up to now is 74.7 secs Computing kpt #: 248 total cpu time spent up to now is 75.1 secs Computing kpt #: 249 total cpu time spent up to now is 75.4 secs Computing kpt #: 250 total cpu time spent up to now is 75.8 secs Computing kpt #: 251 total cpu time spent up to now is 76.1 secs Computing kpt #: 252 total cpu time spent up to now is 76.5 secs Computing kpt #: 253 total cpu time spent up to now is 76.8 secs Computing kpt #: 254 total cpu time spent up to now is 77.1 secs Computing kpt #: 255 total cpu time spent up to now is 77.5 secs Computing kpt #: 256 total cpu time spent up to now is 77.8 secs Computing kpt #: 257 total cpu time spent up to now is 78.2 secs Computing kpt #: 258 total cpu time spent up to now is 78.5 secs Computing kpt #: 259 total cpu time spent up to now is 78.9 secs Computing kpt #: 260 total cpu time spent up to now is 79.3 secs Computing kpt #: 261 total cpu time spent up to now is 79.6 secs Computing kpt #: 262 total cpu time spent up to now is 80.1 secs Computing kpt #: 263 total cpu time spent up to now is 80.6 secs Computing kpt #: 264 total cpu time spent up to now is 81.1 secs Computing kpt #: 265 total cpu time spent up to now is 81.5 secs Computing kpt #: 266 total cpu time spent up to now is 81.9 secs Computing kpt #: 267 total cpu time spent up to now is 82.2 secs Computing kpt #: 268 total cpu time spent up to now is 82.6 secs Computing kpt #: 269 total cpu time spent up to now is 83.1 secs Computing kpt #: 270 total cpu time spent up to now is 83.6 secs Computing kpt #: 271 total cpu time spent up to now is 84.0 secs Computing kpt #: 272 total cpu time spent up to now is 84.4 secs Computing kpt #: 273 total cpu time spent up to now is 84.7 secs Computing kpt #: 274 total cpu time spent up to now is 85.0 secs Computing kpt #: 275 total cpu time spent up to now is 85.4 secs Computing kpt #: 276 total cpu time spent up to now is 85.7 secs Computing kpt #: 277 total cpu time spent up to now is 86.0 secs Computing kpt #: 278 total cpu time spent up to now is 86.3 secs Computing kpt #: 279 total cpu time spent up to now is 86.6 secs Computing kpt #: 280 total cpu time spent up to now is 86.9 secs Computing kpt #: 281 total cpu time spent up to now is 87.2 secs Computing kpt #: 282 total cpu time spent up to now is 87.5 secs Computing kpt #: 283 total cpu time spent up to now is 87.8 secs Computing kpt #: 284 total cpu time spent up to now is 88.1 secs Computing kpt #: 285 total cpu time spent up to now is 88.4 secs Computing kpt #: 286 total cpu time spent up to now is 88.8 secs Computing kpt #: 287 total cpu time spent up to now is 89.1 secs Computing kpt #: 288 total cpu time spent up to now is 89.4 secs Computing kpt #: 289 total cpu time spent up to now is 89.7 secs Computing kpt #: 290 total cpu time spent up to now is 90.0 secs Computing kpt #: 291 total cpu time spent up to now is 90.3 secs Computing kpt #: 292 total cpu time spent up to now is 90.6 secs Computing kpt #: 293 total cpu time spent up to now is 90.9 secs Computing kpt #: 294 total cpu time spent up to now is 91.2 secs Computing kpt #: 295 total cpu time spent up to now is 91.5 secs Computing kpt #: 296 total cpu time spent up to now is 91.8 secs Computing kpt #: 297 total cpu time spent up to now is 92.1 secs Computing kpt #: 298 total cpu time spent up to now is 92.5 secs Computing kpt #: 299 total cpu time spent up to now is 92.8 secs Computing kpt #: 300 total cpu time spent up to now is 93.2 secs Computing kpt #: 301 total cpu time spent up to now is 93.5 secs Computing kpt #: 302 total cpu time spent up to now is 93.9 secs Computing kpt #: 303 total cpu time spent up to now is 94.2 secs Computing kpt #: 304 total cpu time spent up to now is 94.5 secs Computing kpt #: 305 total cpu time spent up to now is 94.8 secs Computing kpt #: 306 total cpu time spent up to now is 95.1 secs Computing kpt #: 307 total cpu time spent up to now is 95.4 secs Computing kpt #: 308 total cpu time spent up to now is 95.7 secs Computing kpt #: 309 total cpu time spent up to now is 96.0 secs Computing kpt #: 310 total cpu time spent up to now is 96.2 secs Computing kpt #: 311 total cpu time spent up to now is 96.5 secs Computing kpt #: 312 total cpu time spent up to now is 96.8 secs Computing kpt #: 313 total cpu time spent up to now is 97.0 secs Computing kpt #: 314 total cpu time spent up to now is 97.3 secs Computing kpt #: 315 total cpu time spent up to now is 97.6 secs Computing kpt #: 316 total cpu time spent up to now is 97.8 secs Computing kpt #: 317 total cpu time spent up to now is 98.1 secs Computing kpt #: 318 total cpu time spent up to now is 98.3 secs Computing kpt #: 319 total cpu time spent up to now is 98.6 secs Computing kpt #: 320 total cpu time spent up to now is 98.8 secs Computing kpt #: 321 total cpu time spent up to now is 99.1 secs Computing kpt #: 322 total cpu time spent up to now is 99.3 secs Computing kpt #: 323 total cpu time spent up to now is 99.6 secs Computing kpt #: 324 total cpu time spent up to now is 99.9 secs Computing kpt #: 325 total cpu time spent up to now is 100.1 secs Computing kpt #: 326 total cpu time spent up to now is 100.4 secs Computing kpt #: 327 total cpu time spent up to now is 100.7 secs Computing kpt #: 328 total cpu time spent up to now is 100.9 secs Computing kpt #: 329 total cpu time spent up to now is 101.2 secs Computing kpt #: 330 total cpu time spent up to now is 101.5 secs Computing kpt #: 331 total cpu time spent up to now is 101.7 secs Computing kpt #: 332 total cpu time spent up to now is 102.0 secs Computing kpt #: 333 total cpu time spent up to now is 102.3 secs Computing kpt #: 334 total cpu time spent up to now is 102.6 secs Computing kpt #: 335 total cpu time spent up to now is 103.0 secs Computing kpt #: 336 total cpu time spent up to now is 103.3 secs Computing kpt #: 337 total cpu time spent up to now is 103.7 secs Computing kpt #: 338 total cpu time spent up to now is 104.1 secs Computing kpt #: 339 total cpu time spent up to now is 104.4 secs Computing kpt #: 340 total cpu time spent up to now is 104.8 secs Computing kpt #: 341 total cpu time spent up to now is 105.1 secs Computing kpt #: 342 total cpu time spent up to now is 105.5 secs Computing kpt #: 343 total cpu time spent up to now is 105.8 secs Computing kpt #: 344 total cpu time spent up to now is 106.2 secs Computing kpt #: 345 total cpu time spent up to now is 106.5 secs Computing kpt #: 346 total cpu time spent up to now is 106.8 secs Computing kpt #: 347 total cpu time spent up to now is 107.1 secs Computing kpt #: 348 total cpu time spent up to now is 107.5 secs Computing kpt #: 349 total cpu time spent up to now is 107.8 secs Computing kpt #: 350 total cpu time spent up to now is 108.2 secs Computing kpt #: 351 total cpu time spent up to now is 108.5 secs Computing kpt #: 352 total cpu time spent up to now is 108.9 secs Computing kpt #: 353 total cpu time spent up to now is 109.2 secs Computing kpt #: 354 total cpu time spent up to now is 109.6 secs Computing kpt #: 355 total cpu time spent up to now is 109.9 secs Computing kpt #: 356 total cpu time spent up to now is 110.3 secs Computing kpt #: 357 total cpu time spent up to now is 110.7 secs Computing kpt #: 358 total cpu time spent up to now is 111.1 secs Computing kpt #: 359 total cpu time spent up to now is 111.5 secs Computing kpt #: 360 total cpu time spent up to now is 111.8 secs ethr = 3.57E-08, avg # of iterations = 22.9 total cpu time spent up to now is 111.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2881 PWs) bands (ev): -20.9540 -20.9540 -8.9512 -8.9512 -5.6964 -5.6964 -4.8850 -4.8850 -4.7680 -4.7680 -2.1420 -2.1420 -0.2242 -0.2242 0.7317 0.7317 0.7636 0.7636 1.9223 1.9223 1.9377 1.9377 2.5473 2.5473 2.5688 2.5688 2.6456 2.6456 9.8948 9.8948 10.1535 10.1535 10.8700 10.8700 10.9901 10.9901 k = 0.0000 0.0132-0.0000 ( 2865 PWs) bands (ev): -20.9540 -20.9540 -8.9515 -8.9515 -5.6962 -5.6962 -4.8849 -4.8849 -4.7678 -4.7678 -2.1420 -2.1420 -0.2243 -0.2243 0.7318 0.7318 0.7636 0.7636 1.9227 1.9227 1.9377 1.9377 2.5467 2.5467 2.5683 2.5683 2.6449 2.6449 9.8971 9.8971 10.1499 10.1499 10.8705 10.8705 10.9901 10.9901 k = 0.0000 0.0263-0.0000 ( 2867 PWs) bands (ev): -20.9539 -20.9539 -8.9525 -8.9525 -5.6957 -5.6957 -4.8844 -4.8844 -4.7672 -4.7672 -2.1418 -2.1418 -0.2247 -0.2247 0.7321 0.7321 0.7637 0.7637 1.9236 1.9236 1.9378 1.9378 2.5450 2.5450 2.5668 2.5668 2.6426 2.6426 9.9036 9.9036 10.1389 10.1389 10.8719 10.8719 10.9901 10.9901 k = 0.0000 0.0395-0.0000 ( 2865 PWs) bands (ev): -20.9537 -20.9537 -8.9540 -8.9540 -5.6948 -5.6948 -4.8836 -4.8836 -4.7661 -4.7661 -2.1415 -2.1415 -0.2254 -0.2254 0.7326 0.7326 0.7640 0.7640 1.9251 1.9251 1.9380 1.9380 2.5417 2.5417 2.5646 2.5646 2.6391 2.6391 9.9136 9.9136 10.1207 10.1207 10.8739 10.8739 10.9903 10.9903 k = 0.0000 0.0526-0.0000 ( 2861 PWs) bands (ev): -20.9535 -20.9535 -8.9561 -8.9561 -5.6936 -5.6936 -4.8825 -4.8825 -4.7647 -4.7647 -2.1412 -2.1412 -0.2263 -0.2263 0.7334 0.7334 0.7642 0.7642 1.9270 1.9270 1.9382 1.9382 2.5368 2.5368 2.5619 2.5619 2.6344 2.6344 9.9249 9.9249 10.0965 10.0965 10.8754 10.8754 10.9909 10.9909 k = 0.0000 0.0658-0.0000 ( 2857 PWs) bands (ev): -20.9532 -20.9532 -8.9588 -8.9588 -5.6921 -5.6921 -4.8810 -4.8810 -4.7628 -4.7628 -2.1407 -2.1407 -0.2275 -0.2275 0.7343 0.7343 0.7646 0.7646 1.9293 1.9293 1.9386 1.9386 2.5301 2.5301 2.5586 2.5586 2.6290 2.6290 9.9310 9.9310 10.0717 10.0717 10.8753 10.8753 10.9923 10.9923 k = 0.0000 0.0789-0.0000 ( 2865 PWs) bands (ev): -20.9528 -20.9528 -8.9621 -8.9621 -5.6902 -5.6902 -4.8793 -4.8793 -4.7605 -4.7605 -2.1401 -2.1401 -0.2289 -0.2289 0.7354 0.7354 0.7650 0.7650 1.9316 1.9316 1.9391 1.9391 2.5217 2.5217 2.5544 2.5544 2.6234 2.6234 9.9170 9.9170 10.0609 10.0609 10.8724 10.8724 10.9951 10.9951 k = 0.0000 0.0921-0.0000 ( 2863 PWs) bands (ev): -20.9524 -20.9524 -8.9658 -8.9658 -5.6881 -5.6881 -4.8772 -4.8772 -4.7578 -4.7578 -2.1394 -2.1394 -0.2306 -0.2306 0.7366 0.7366 0.7655 0.7655 1.9336 1.9336 1.9400 1.9400 2.5119 2.5119 2.5489 2.5489 2.6183 2.6183 9.8725 9.8725 10.0744 10.0744 10.8664 10.8664 10.9992 10.9992 k = 0.0000 0.1053-0.0000 ( 2867 PWs) bands (ev): -20.9519 -20.9519 -8.9701 -8.9701 -5.6856 -5.6856 -4.8749 -4.8749 -4.7548 -4.7548 -2.1387 -2.1387 -0.2325 -0.2325 0.7380 0.7380 0.7661 0.7661 1.9352 1.9352 1.9412 1.9412 2.5011 2.5011 2.5416 2.5416 2.6142 2.6142 9.8054 9.8054 10.1050 10.1050 10.8578 10.8578 11.0046 11.0046 k = 0.0000 0.1184-0.0000 ( 2867 PWs) bands (ev): -20.9514 -20.9514 -8.9749 -8.9749 -5.6829 -5.6829 -4.8723 -4.8723 -4.7514 -4.7514 -2.1378 -2.1378 -0.2346 -0.2346 0.7395 0.7395 0.7667 0.7667 1.9362 1.9362 1.9424 1.9424 2.4896 2.4896 2.5320 2.5320 2.6118 2.6118 9.7237 9.7237 10.1455 10.1455 10.8478 10.8478 11.0114 11.0114 k = 0.0000 0.1316-0.0000 ( 2859 PWs) bands (ev): -20.9508 -20.9508 -8.9801 -8.9801 -5.6799 -5.6799 -4.8695 -4.8695 -4.7477 -4.7477 -2.1368 -2.1368 -0.2369 -0.2369 0.7411 0.7411 0.7673 0.7673 1.9368 1.9368 1.9431 1.9431 2.4779 2.4779 2.5203 2.5203 2.6112 2.6112 9.6317 9.6317 10.1930 10.1930 10.8372 10.8372 11.0198 11.0198 k = 0.0000 0.1447-0.0000 ( 2861 PWs) bands (ev): -20.9501 -20.9501 -8.9857 -8.9857 -5.6767 -5.6767 -4.8665 -4.8665 -4.7437 -4.7437 -2.1358 -2.1358 -0.2394 -0.2394 0.7427 0.7427 0.7680 0.7680 1.9370 1.9370 1.9430 1.9430 2.4664 2.4664 2.5066 2.5066 2.6123 2.6123 9.5317 9.5317 10.2463 10.2463 10.8264 10.8264 11.0298 11.0298 k = 0.0000 0.1579-0.0000 ( 2867 PWs) bands (ev): -20.9494 -20.9494 -8.9916 -8.9916 -5.6732 -5.6732 -4.8632 -4.8632 -4.7394 -4.7394 -2.1347 -2.1347 -0.2421 -0.2421 0.7445 0.7445 0.7687 0.7687 1.9365 1.9365 1.9419 1.9419 2.4556 2.4556 2.4913 2.4913 2.6153 2.6153 9.4258 9.4258 10.3047 10.3047 10.8156 10.8156 11.0416 11.0416 k = 0.0000 0.1711-0.0000 ( 2865 PWs) bands (ev): -20.9487 -20.9487 -8.9979 -8.9979 -5.6696 -5.6696 -4.8598 -4.8598 -4.7348 -4.7348 -2.1336 -2.1336 -0.2450 -0.2450 0.7463 0.7463 0.7694 0.7694 1.9343 1.9343 1.9407 1.9407 2.4457 2.4457 2.4747 2.4747 2.6199 2.6199 9.3153 9.3153 10.3677 10.3677 10.8050 10.8050 11.0551 11.0551 k = 0.0000 0.1842-0.0000 ( 2861 PWs) bands (ev): -20.9480 -20.9480 -9.0045 -9.0045 -5.6658 -5.6658 -4.8561 -4.8561 -4.7301 -4.7301 -2.1323 -2.1323 -0.2479 -0.2479 0.7481 0.7481 0.7702 0.7702 1.9289 1.9289 1.9403 1.9403 2.4367 2.4367 2.4576 2.4576 2.6263 2.6263 9.2016 9.2016 10.4348 10.4348 10.7949 10.7949 11.0702 11.0702 k = 0.0000 0.1974-0.0000 ( 2865 PWs) bands (ev): -20.9472 -20.9472 -9.0113 -9.0113 -5.6619 -5.6619 -4.8524 -4.8524 -4.7251 -4.7251 -2.1311 -2.1311 -0.2511 -0.2511 0.7499 0.7499 0.7709 0.7709 1.9205 1.9205 1.9403 1.9403 2.4275 2.4275 2.4414 2.4414 2.6344 2.6344 9.0856 9.0856 10.5055 10.5055 10.7854 10.7854 11.0869 11.0869 k = 0.0000 0.2105-0.0000 ( 2865 PWs) bands (ev): -20.9464 -20.9464 -9.0182 -9.0182 -5.6579 -5.6579 -4.8485 -4.8485 -4.7199 -4.7199 -2.1297 -2.1297 -0.2543 -0.2543 0.7518 0.7518 0.7716 0.7716 1.9094 1.9094 1.9404 1.9404 2.4139 2.4139 2.4308 2.4308 2.6445 2.6445 8.9685 8.9685 10.5786 10.5786 10.7775 10.7775 11.1052 11.1052 k = 0.0000 0.2237-0.0000 ( 2865 PWs) bands (ev): -20.9456 -20.9456 -9.0253 -9.0253 -5.6538 -5.6538 -4.8445 -4.8445 -4.7146 -4.7146 -2.1284 -2.1284 -0.2576 -0.2576 0.7536 0.7536 0.7724 0.7724 1.8957 1.8957 1.9407 1.9407 2.3958 2.3958 2.4259 2.4259 2.6564 2.6564 8.8508 8.8508 10.6514 10.6514 10.7738 10.7738 11.1252 11.1252 k = 0.0000 0.2368-0.0000 ( 2864 PWs) bands (ev): -20.9447 -20.9447 -9.0325 -9.0325 -5.6496 -5.6496 -4.8405 -4.8405 -4.7092 -4.7092 -2.1270 -2.1270 -0.2609 -0.2609 0.7555 0.7555 0.7731 0.7731 1.8796 1.8796 1.9409 1.9409 2.3763 2.3763 2.4234 2.4234 2.6704 2.6704 8.7335 8.7335 10.7097 10.7097 10.7880 10.7880 11.1467 11.1467 k = 0.0000 0.2500-0.0000 ( 2864 PWs) bands (ev): -20.9439 -20.9439 -9.0397 -9.0397 -5.6454 -5.6454 -4.8364 -4.8364 -4.7037 -4.7037 -2.1256 -2.1256 -0.2643 -0.2643 0.7573 0.7573 0.7737 0.7737 1.8614 1.8614 1.9411 1.9411 2.3565 2.3565 2.4225 2.4225 2.6865 2.6865 8.6171 8.6171 10.7269 10.7269 10.8458 10.8458 11.1702 11.1702 k = 0.0000 0.2632-0.0000 ( 2860 PWs) bands (ev): -20.9431 -20.9431 -9.0469 -9.0469 -5.6412 -5.6412 -4.8323 -4.8323 -4.6982 -4.6982 -2.1242 -2.1242 -0.2677 -0.2677 0.7590 0.7590 0.7744 0.7744 1.8415 1.8415 1.9414 1.9414 2.3366 2.3366 2.4226 2.4226 2.7047 2.7047 8.5022 8.5022 10.7255 10.7255 10.9241 10.9241 11.1960 11.1960 k = 0.0000 0.2763-0.0000 ( 2864 PWs) bands (ev): -20.9422 -20.9422 -9.0541 -9.0541 -5.6370 -5.6370 -4.8283 -4.8283 -4.6928 -4.6928 -2.1228 -2.1228 -0.2711 -0.2711 0.7607 0.7607 0.7750 0.7750 1.8202 1.8202 1.9416 1.9416 2.3167 2.3167 2.4234 2.4234 2.7248 2.7248 8.3895 8.3895 10.7208 10.7208 11.0059 11.0059 11.2253 11.2253 k = 0.0000 0.2895-0.0000 ( 2856 PWs) bands (ev): -20.9414 -20.9414 -9.0611 -9.0611 -5.6329 -5.6329 -4.8242 -4.8242 -4.6873 -4.6873 -2.1214 -2.1214 -0.2744 -0.2744 0.7624 0.7624 0.7756 0.7756 1.7981 1.7981 1.9418 1.9418 2.2972 2.2972 2.4247 2.4247 2.7466 2.7466 8.2794 8.2794 10.7157 10.7157 11.0852 11.0852 11.2610 11.2610 k = 0.0000 0.3026-0.0000 ( 2856 PWs) bands (ev): -20.9406 -20.9406 -9.0680 -9.0680 -5.6289 -5.6289 -4.8203 -4.8203 -4.6820 -4.6820 -2.1201 -2.1201 -0.2777 -0.2777 0.7639 0.7639 0.7762 0.7762 1.7754 1.7754 1.9420 1.9420 2.2782 2.2782 2.4261 2.4261 2.7700 2.7700 8.1724 8.1724 10.7107 10.7107 11.1553 11.1553 11.3082 11.3082 k = 0.0000 0.3158-0.0000 ( 2852 PWs) bands (ev): -20.9398 -20.9398 -9.0747 -9.0747 -5.6250 -5.6250 -4.8164 -4.8164 -4.6767 -4.6767 -2.1187 -2.1187 -0.2809 -0.2809 0.7654 0.7654 0.7767 0.7767 1.7525 1.7525 1.9422 1.9422 2.2597 2.2597 2.4276 2.4276 2.7947 2.7947 8.0692 8.0692 10.7064 10.7064 11.2102 11.2102 11.3721 11.3721 k = 0.0000 0.3289-0.0000 ( 2846 PWs) bands (ev): -20.9391 -20.9391 -9.0811 -9.0811 -5.6213 -5.6213 -4.8127 -4.8127 -4.6717 -4.6717 -2.1175 -2.1175 -0.2840 -0.2840 0.7669 0.7669 0.7773 0.7773 1.7299 1.7299 1.9424 1.9424 2.2420 2.2420 2.4292 2.4292 2.8203 2.8203 7.9701 7.9701 10.7026 10.7026 11.2513 11.2513 11.4506 11.4506 k = 0.0000 0.3421-0.0000 ( 2852 PWs) bands (ev): -20.9383 -20.9383 -9.0872 -9.0872 -5.6177 -5.6177 -4.8092 -4.8092 -4.6668 -4.6668 -2.1162 -2.1162 -0.2870 -0.2870 0.7682 0.7682 0.7778 0.7778 1.7077 1.7077 1.9425 1.9425 2.2250 2.2250 2.4306 2.4306 2.8464 2.8464 7.8757 7.8757 10.6995 10.6995 11.2840 11.2840 11.5374 11.5374 k = 0.0000 0.3553-0.0000 ( 2848 PWs) bands (ev): -20.9376 -20.9376 -9.0930 -9.0930 -5.6143 -5.6143 -4.8058 -4.8058 -4.6622 -4.6622 -2.1150 -2.1150 -0.2899 -0.2899 0.7693 0.7693 0.7784 0.7784 1.6863 1.6863 1.9427 1.9427 2.2090 2.2090 2.4319 2.4319 2.8727 2.8727 7.7864 7.7864 10.6971 10.6971 11.3124 11.3124 11.6278 11.6278 k = 0.0000 0.3684-0.0000 ( 2848 PWs) bands (ev): -20.9370 -20.9370 -9.0984 -9.0984 -5.6111 -5.6111 -4.8026 -4.8026 -4.6578 -4.6578 -2.1139 -2.1139 -0.2925 -0.2925 0.7704 0.7704 0.7789 0.7789 1.6659 1.6659 1.9428 1.9428 2.1941 2.1941 2.4331 2.4331 2.8986 2.8986 7.7028 7.7028 10.6952 10.6952 11.3379 11.3379 11.7194 11.7194 k = 0.0000 0.3816-0.0000 ( 2860 PWs) bands (ev): -20.9364 -20.9364 -9.1035 -9.1035 -5.6081 -5.6081 -4.7996 -4.7996 -4.6537 -4.6537 -2.1129 -2.1129 -0.2950 -0.2950 0.7713 0.7713 0.7795 0.7795 1.6468 1.6468 1.9429 1.9429 2.1802 2.1802 2.4342 2.4342 2.9238 2.9238 7.6253 7.6253 10.6939 10.6939 11.3614 11.3614 11.8106 11.8106 k = 0.0000 0.3947-0.0000 ( 2856 PWs) bands (ev): -20.9359 -20.9359 -9.1081 -9.1081 -5.6054 -5.6054 -4.7969 -4.7969 -4.6500 -4.6500 -2.1119 -2.1119 -0.2973 -0.2973 0.7720 0.7720 0.7802 0.7802 1.6292 1.6292 1.9430 1.9430 2.1676 2.1676 2.4351 2.4351 2.9479 2.9479 7.5543 7.5543 10.6931 10.6931 11.3831 11.3831 11.9007 11.9007 k = 0.0000 0.4079-0.0000 ( 2860 PWs) bands (ev): -20.9354 -20.9354 -9.1122 -9.1122 -5.6030 -5.6030 -4.7945 -4.7945 -4.6467 -4.6467 -2.1111 -2.1111 -0.2993 -0.2993 0.7727 0.7727 0.7808 0.7808 1.6132 1.6132 1.9431 1.9431 2.1562 2.1562 2.4358 2.4358 2.9704 2.9704 7.4904 7.4904 10.6927 10.6927 11.4028 11.4028 11.9886 11.9887 k = 0.0000 0.4211-0.0000 ( 2868 PWs) bands (ev): -20.9349 -20.9349 -9.1158 -9.1158 -5.6008 -5.6008 -4.7923 -4.7923 -4.6437 -4.6437 -2.1103 -2.1103 -0.3012 -0.3012 0.7731 0.7731 0.7814 0.7814 1.5991 1.5991 1.9432 1.9432 2.1462 2.1462 2.4365 2.4365 2.9909 2.9909 7.4340 7.4340 10.6926 10.6926 11.4205 11.4205 12.0736 12.0736 k = 0.0000 0.4342-0.0000 ( 2872 PWs) bands (ev): -20.9346 -20.9346 -9.1189 -9.1189 -5.5990 -5.5990 -4.7905 -4.7905 -4.6411 -4.6411 -2.1097 -2.1097 -0.3027 -0.3027 0.7735 0.7735 0.7819 0.7819 1.5869 1.5869 1.9433 1.9433 2.1376 2.1376 2.4370 2.4370 3.0090 3.0090 7.3855 7.3855 10.6928 10.6928 11.4359 11.4359 12.1052 12.1052 k = 0.0000 0.4474-0.0000 ( 2878 PWs) bands (ev): -20.9343 -20.9343 -9.1215 -9.1215 -5.5975 -5.5975 -4.7890 -4.7890 -4.6390 -4.6390 -2.1091 -2.1091 -0.3040 -0.3040 0.7738 0.7738 0.7824 0.7824 1.5767 1.5767 1.9434 1.9434 2.1306 2.1306 2.4375 2.4375 3.0243 3.0243 7.3452 7.3452 10.6930 10.6930 11.4489 11.4489 12.0851 12.0851 k = 0.0000 0.4605-0.0000 ( 2878 PWs) bands (ev): -20.9340 -20.9340 -9.1235 -9.1235 -5.5963 -5.5963 -4.7877 -4.7877 -4.6373 -4.6373 -2.1087 -2.1087 -0.3050 -0.3050 0.7740 0.7740 0.7828 0.7828 1.5687 1.5687 1.9434 1.9434 2.1250 2.1250 2.4378 2.4378 3.0366 3.0366 7.3135 7.3135 10.6933 10.6933 11.4593 11.4593 12.0691 12.0691 k = 0.0000 0.4737-0.0000 ( 2880 PWs) bands (ev): -20.9339 -20.9339 -9.1250 -9.1250 -5.5954 -5.5954 -4.7869 -4.7869 -4.6361 -4.6361 -2.1084 -2.1084 -0.3057 -0.3057 0.7742 0.7742 0.7831 0.7831 1.5630 1.5630 1.9435 1.9435 2.1210 2.1210 2.4380 2.4380 3.0455 3.0455 7.2907 7.2907 10.6935 10.6935 11.4668 11.4668 12.0576 12.0576 k = 0.0000 0.4868-0.0000 ( 2872 PWs) bands (ev): -20.9337 -20.9337 -9.1258 -9.1258 -5.5949 -5.5949 -4.7864 -4.7864 -4.6354 -4.6354 -2.1082 -2.1082 -0.3062 -0.3062 0.7743 0.7743 0.7833 0.7833 1.5595 1.5595 1.9435 1.9435 2.1186 2.1186 2.4381 2.4381 3.0510 3.0510 7.2769 7.2769 10.6937 10.6937 11.4714 11.4714 12.0506 12.0506 k = 0.0000 0.5000-0.0000 ( 2864 PWs) bands (ev): -20.9337 -20.9337 -9.1261 -9.1261 -5.5947 -5.5947 -4.7862 -4.7862 -4.6352 -4.6352 -2.1082 -2.1082 -0.3063 -0.3063 0.7743 0.7743 0.7834 0.7834 1.5584 1.5584 1.9435 1.9435 2.1178 2.1178 2.4382 2.4382 3.0528 3.0528 7.2723 7.2723 10.6938 10.6938 11.4729 11.4729 12.0483 12.0483 k = 0.0000 0.5000-0.0000 ( 2864 PWs) bands (ev): -20.9337 -20.9337 -9.1261 -9.1261 -5.5947 -5.5947 -4.7862 -4.7862 -4.6352 -4.6352 -2.1082 -2.1082 -0.3063 -0.3063 0.7743 0.7743 0.7834 0.7834 1.5584 1.5584 1.9435 1.9435 2.1178 2.1178 2.4382 2.4382 3.0528 3.0528 7.2723 7.2723 10.6938 10.6938 11.4729 11.4729 12.0483 12.0483 k = 0.0132 0.5000-0.0000 ( 2864 PWs) bands (ev): -20.9337 -20.9337 -9.1258 -9.1258 -5.5951 -5.5951 -4.7865 -4.7865 -4.6360 -4.6360 -2.1081 -2.1081 -0.3061 -0.3061 0.7743 0.7743 0.7832 0.7832 1.5599 1.5599 1.9435 1.9435 2.1184 2.1184 2.4387 2.4387 3.0530 3.0530 7.2740 7.2740 10.6912 10.6912 11.4576 11.4576 12.0648 12.0648 k = 0.0263 0.5000-0.0000 ( 2872 PWs) bands (ev): -20.9336 -20.9336 -9.1248 -9.1248 -5.5961 -5.5961 -4.7876 -4.7876 -4.6386 -4.6386 -2.1081 -2.1081 -0.3055 -0.3055 0.7742 0.7742 0.7829 0.7829 1.5642 1.5642 1.9433 1.9433 2.1202 2.1202 2.4403 2.4403 3.0537 3.0537 7.2789 7.2789 10.6834 10.6834 11.4160 11.4160 12.1095 12.1095 k = 0.0395 0.5000-0.0000 ( 2868 PWs) bands (ev): -20.9335 -20.9335 -9.1232 -9.1232 -5.5978 -5.5978 -4.7894 -4.7894 -4.6429 -4.6429 -2.1081 -2.1081 -0.3044 -0.3044 0.7742 0.7742 0.7824 0.7824 1.5715 1.5715 1.9430 1.9430 2.1231 2.1231 2.4429 2.4429 3.0549 3.0549 7.2871 7.2871 10.6706 10.6706 11.3571 11.3571 12.1710 12.1710 k = 0.0526 0.5000-0.0000 ( 2862 PWs) bands (ev): -20.9333 -20.9333 -9.1210 -9.1210 -5.6002 -5.6002 -4.7918 -4.7918 -4.6488 -4.6488 -2.1080 -2.1080 -0.3028 -0.3028 0.7740 0.7740 0.7817 0.7817 1.5816 1.5816 1.9426 1.9426 2.1272 2.1272 2.4466 2.4466 3.0565 3.0565 7.2987 7.2987 10.6530 10.6530 11.2885 11.2885 12.2244 12.2244 k = 0.0658 0.5000-0.0000 ( 2858 PWs) bands (ev): -20.9330 -20.9330 -9.1181 -9.1181 -5.6033 -5.6033 -4.7948 -4.7948 -4.6564 -4.6564 -2.1079 -2.1079 -0.3009 -0.3009 0.7739 0.7739 0.7807 0.7807 1.5945 1.5945 1.9422 1.9422 2.1322 2.1322 2.4513 2.4513 3.0587 3.0587 7.3134 7.3134 10.6310 10.6310 11.2146 11.2146 12.1891 12.1891 k = 0.0789 0.5000-0.0000 ( 2858 PWs) bands (ev): -20.9327 -20.9327 -9.1146 -9.1146 -5.6071 -5.6071 -4.7985 -4.7985 -4.6654 -4.6654 -2.1078 -2.1078 -0.2985 -0.2985 0.7737 0.7737 0.7796 0.7796 1.6099 1.6099 1.9418 1.9418 2.1381 2.1381 2.4571 2.4571 3.0614 3.0614 7.3315 7.3315 10.6048 10.6048 11.1384 11.1384 12.0966 12.0966 k = 0.0921 0.5000-0.0000 ( 2864 PWs) bands (ev): -20.9323 -20.9323 -9.1106 -9.1106 -5.6115 -5.6115 -4.8026 -4.8026 -4.6760 -4.6760 -2.1076 -2.1076 -0.2958 -0.2958 0.7734 0.7734 0.7783 0.7783 1.6279 1.6279 1.9414 1.9414 2.1448 2.1448 2.4639 2.4639 3.0648 3.0648 7.3527 7.3527 10.5749 10.5749 11.0614 11.0614 11.9877 11.9877 k = 0.1053 0.5000-0.0000 ( 2868 PWs) bands (ev): -20.9319 -20.9319 -9.1060 -9.1060 -5.6166 -5.6166 -4.8072 -4.8072 -4.6880 -4.6880 -2.1075 -2.1075 -0.2926 -0.2926 0.7730 0.7730 0.7768 0.7768 1.6481 1.6481 1.9411 1.9411 2.1522 2.1522 2.4717 2.4717 3.0688 3.0688 7.3770 7.3770 10.5418 10.5418 10.9846 10.9846 11.8696 11.8696 k = 0.1184 0.5000-0.0000 ( 2868 PWs) bands (ev): -20.9315 -20.9315 -9.1008 -9.1008 -5.6224 -5.6224 -4.8123 -4.8123 -4.7012 -4.7012 -2.1073 -2.1073 -0.2891 -0.2891 0.7726 0.7726 0.7752 0.7752 1.6705 1.6705 1.9409 1.9409 2.1603 2.1603 2.4805 2.4805 3.0736 3.0736 7.4045 7.4045 10.5058 10.5058 10.9088 10.9088 11.7452 11.7452 k = 0.1316 0.5000-0.0000 ( 2868 PWs) bands (ev): -20.9310 -20.9310 -9.0952 -9.0952 -5.6289 -5.6289 -4.8176 -4.8176 -4.7156 -4.7156 -2.1071 -2.1071 -0.2852 -0.2852 0.7720 0.7720 0.7734 0.7734 1.6947 1.6947 1.9408 1.9408 2.1689 2.1689 2.4902 2.4902 3.0792 3.0792 7.4351 7.4351 10.4674 10.4674 10.8343 10.8343 11.6165 11.6165 k = 0.1447 0.5000-0.0000 ( 2860 PWs) bands (ev): -20.9304 -20.9304 -9.0890 -9.0890 -5.6360 -5.6360 -4.8233 -4.8233 -4.7311 -4.7311 -2.1069 -2.1069 -0.2810 -0.2810 0.7709 0.7709 0.7719 0.7719 1.7205 1.7205 1.9410 1.9410 2.1781 2.1781 2.5006 2.5006 3.0857 3.0857 7.4686 7.4686 10.4270 10.4270 10.7615 10.7615 11.4850 11.4850 k = 0.1579 0.5000-0.0000 ( 2864 PWs) bands (ev): -20.9299 -20.9299 -9.0824 -9.0824 -5.6437 -5.6437 -4.8291 -4.8291 -4.7476 -4.7476 -2.1067 -2.1067 -0.2765 -0.2765 0.7690 0.7690 0.7709 0.7709 1.7475 1.7475 1.9417 1.9417 2.1876 2.1876 2.5117 2.5117 3.0932 3.0932 7.5051 7.5051 10.3849 10.3849 10.6905 10.6905 11.3518 11.3518 k = 0.1711 0.5000-0.0000 ( 2870 PWs) bands (ev): -20.9293 -20.9293 -9.0755 -9.0755 -5.6519 -5.6519 -4.8352 -4.8352 -4.7648 -4.7648 -2.1064 -2.1064 -0.2717 -0.2717 0.7667 0.7667 0.7699 0.7699 1.7753 1.7753 1.9430 1.9430 2.1976 2.1976 2.5233 2.5233 3.1018 3.1018 7.5445 7.5445 10.3415 10.3415 10.6216 10.6216 11.2178 11.2178 k = 0.1842 0.5000-0.0000 ( 2866 PWs) bands (ev): -20.9286 -20.9286 -9.0681 -9.0681 -5.6608 -5.6608 -4.8413 -4.8413 -4.7827 -4.7827 -2.1062 -2.1062 -0.2666 -0.2666 0.7644 0.7644 0.7689 0.7689 1.8029 1.8029 1.9456 1.9456 2.2079 2.2079 2.5353 2.5353 3.1116 3.1116 7.5868 7.5868 10.2971 10.2971 10.5548 10.5548 11.0841 11.0841 k = 0.1974 0.5000-0.0000 ( 2874 PWs) bands (ev): -20.9280 -20.9280 -9.0604 -9.0604 -5.6701 -5.6701 -4.8477 -4.8477 -4.8010 -4.8010 -2.1059 -2.1059 -0.2613 -0.2613 0.7619 0.7619 0.7677 0.7677 1.8293 1.8293 1.9504 1.9504 2.2186 2.2186 2.5474 2.5474 3.1226 3.1226 7.6318 7.6318 10.2519 10.2519 10.4902 10.4902 10.9513 10.9513 k = 0.2105 0.5000-0.0000 ( 2880 PWs) bands (ev): -20.9273 -20.9273 -9.0524 -9.0524 -5.6799 -5.6799 -4.8543 -4.8543 -4.8194 -4.8194 -2.1056 -2.1056 -0.2558 -0.2558 0.7593 0.7593 0.7664 0.7664 1.8526 1.8526 1.9591 1.9591 2.2297 2.2297 2.5595 2.5595 3.1349 3.1349 7.6794 7.6794 10.2062 10.2062 10.4278 10.4278 10.8205 10.8205 k = 0.2237 0.5000-0.0000 ( 2880 PWs) bands (ev): -20.9266 -20.9266 -9.0442 -9.0442 -5.6902 -5.6902 -4.8617 -4.8617 -4.8371 -4.8371 -2.1054 -2.1054 -0.2502 -0.2502 0.7566 0.7566 0.7650 0.7650 1.8706 1.8706 1.9735 1.9735 2.2410 2.2410 2.5714 2.5714 3.1486 3.1486 7.7297 7.7297 10.1599 10.1599 10.3675 10.3675 10.6925 10.6925 k = 0.2368 0.5000-0.0000 ( 2880 PWs) bands (ev): -20.9259 -20.9259 -9.0358 -9.0358 -5.7007 -5.7007 -4.8717 -4.8717 -4.8523 -4.8523 -2.1051 -2.1051 -0.2444 -0.2444 0.7539 0.7539 0.7635 0.7635 1.8822 1.8822 1.9945 1.9945 2.2526 2.2526 2.5829 2.5829 3.1636 3.1636 7.7824 7.7824 10.1131 10.1131 10.3088 10.3088 10.5688 10.5688 k = 0.2500 0.5000-0.0000 ( 2876 PWs) bands (ev): -20.9252 -20.9252 -9.0273 -9.0273 -5.7115 -5.7115 -4.8863 -4.8863 -4.8627 -4.8627 -2.1048 -2.1048 -0.2385 -0.2385 0.7511 0.7511 0.7618 0.7618 1.8886 1.8886 2.0209 2.0209 2.2645 2.2645 2.5938 2.5938 3.1800 3.1800 7.8375 7.8375 10.0655 10.0655 10.2509 10.2509 10.4511 10.4511 k = 0.2632 0.5000-0.0000 ( 2876 PWs) bands (ev): -20.9245 -20.9245 -9.0188 -9.0188 -5.7226 -5.7226 -4.9040 -4.9040 -4.8698 -4.8698 -2.1045 -2.1045 -0.2325 -0.2325 0.7482 0.7482 0.7601 0.7601 1.8916 1.8916 2.0505 2.0505 2.2765 2.2765 2.6040 2.6040 3.1977 3.1977 7.8948 7.8948 10.0164 10.0164 10.1921 10.1921 10.3428 10.3428 k = 0.2763 0.5000-0.0000 ( 2868 PWs) bands (ev): -20.9238 -20.9238 -9.0102 -9.0102 -5.7337 -5.7337 -4.9226 -4.9226 -4.8754 -4.8754 -2.1042 -2.1042 -0.2265 -0.2265 0.7453 0.7453 0.7582 0.7582 1.8925 1.8925 2.0818 2.0818 2.2886 2.2886 2.6135 2.6135 3.2166 3.2166 7.9542 7.9542 9.9640 9.9640 10.1294 10.1294 10.2493 10.2493 k = 0.2895 0.5000-0.0000 ( 2872 PWs) bands (ev): -20.9231 -20.9231 -9.0017 -9.0017 -5.7449 -5.7449 -4.9412 -4.9412 -4.8804 -4.8804 -2.1039 -2.1039 -0.2206 -0.2206 0.7424 0.7424 0.7563 0.7563 1.8921 1.8921 2.1138 2.1138 2.3007 2.3007 2.6220 2.6220 3.2366 3.2366 8.0156 8.0156 9.9053 9.9053 10.0620 10.0620 10.1750 10.1750 k = 0.3026 0.5000-0.0000 ( 2876 PWs) bands (ev): -20.9224 -20.9224 -8.9933 -8.9933 -5.7560 -5.7560 -4.9596 -4.9596 -4.8849 -4.8849 -2.1036 -2.1036 -0.2147 -0.2147 0.7396 0.7396 0.7544 0.7544 1.8910 1.8910 2.1458 2.1458 2.3128 2.3128 2.6296 2.6296 3.2575 3.2575 8.0786 8.0786 9.8369 9.8369 9.9967 9.9967 10.1175 10.1175 k = 0.3158 0.5000-0.0000 ( 2888 PWs) bands (ev): -20.9218 -20.9218 -8.9850 -8.9850 -5.7670 -5.7670 -4.9775 -4.9775 -4.8889 -4.8889 -2.1033 -2.1033 -0.2089 -0.2089 0.7367 0.7367 0.7524 0.7524 1.8893 1.8893 2.1773 2.1773 2.3249 2.3249 2.6362 2.6362 3.2791 3.2791 8.1430 8.1430 9.7588 9.7588 9.9404 9.9404 10.0701 10.0701 k = 0.3289 0.5000-0.0000 ( 2888 PWs) bands (ev): -20.9211 -20.9211 -8.9770 -8.9770 -5.7777 -5.7777 -4.9947 -4.9947 -4.8926 -4.8926 -2.1030 -2.1030 -0.2032 -0.2032 0.7339 0.7339 0.7504 0.7504 1.8873 1.8873 2.2081 2.2081 2.3367 2.3367 2.6419 2.6419 3.3011 3.3011 8.2085 8.2085 9.6757 9.6757 9.8934 9.8934 10.0290 10.0290 k = 0.3421 0.5000-0.0000 ( 2888 PWs) bands (ev): -20.9205 -20.9205 -8.9693 -8.9693 -5.7881 -5.7881 -5.0112 -5.0112 -4.8959 -4.8959 -2.1028 -2.1028 -0.1978 -0.1978 0.7311 0.7311 0.7485 0.7485 1.8852 1.8852 2.2377 2.2377 2.3483 2.3483 2.6466 2.6466 3.3232 3.3232 8.2747 8.2747 9.5928 9.5928 9.8532 9.8532 9.9924 9.9924 k = 0.3553 0.5000-0.0000 ( 2888 PWs) bands (ev): -20.9200 -20.9200 -8.9619 -8.9619 -5.7980 -5.7980 -5.0267 -5.0267 -4.8989 -4.8989 -2.1025 -2.1025 -0.1926 -0.1926 0.7285 0.7285 0.7466 0.7466 1.8829 1.8829 2.2660 2.2660 2.3595 2.3595 2.6505 2.6505 3.3452 3.3452 8.3410 8.3410 9.5134 9.5134 9.8178 9.8178 9.9593 9.9593 k = 0.3684 0.5000-0.0000 ( 2884 PWs) bands (ev): -20.9194 -20.9194 -8.9550 -8.9550 -5.8074 -5.8074 -5.0413 -5.0413 -4.9016 -4.9016 -2.1023 -2.1023 -0.1876 -0.1876 0.7259 0.7259 0.7449 0.7449 1.8807 1.8807 2.2926 2.2926 2.3702 2.3702 2.6534 2.6534 3.3668 3.3668 8.4065 8.4065 9.4399 9.4399 9.7863 9.7863 9.9294 9.9294 k = 0.3816 0.5000-0.0000 ( 2886 PWs) bands (ev): -20.9189 -20.9189 -8.9485 -8.9485 -5.8163 -5.8163 -5.0548 -5.0548 -4.9040 -4.9040 -2.1021 -2.1021 -0.1830 -0.1830 0.7235 0.7235 0.7432 0.7432 1.8785 1.8785 2.3175 2.3175 2.3805 2.3805 2.6556 2.6556 3.3875 3.3875 8.4702 8.4702 9.3742 9.3742 9.7582 9.7582 9.9025 9.9025 k = 0.3947 0.5000-0.0000 ( 2886 PWs) bands (ev): -20.9185 -20.9185 -8.9425 -8.9425 -5.8244 -5.8244 -5.0671 -5.0671 -4.9061 -4.9061 -2.1019 -2.1019 -0.1787 -0.1787 0.7213 0.7213 0.7416 0.7416 1.8764 1.8764 2.3402 2.3402 2.3901 2.3901 2.6572 2.6572 3.4071 3.4071 8.5307 8.5307 9.3179 9.3179 9.7332 9.7332 9.8783 9.8783 k = 0.4079 0.5000-0.0000 ( 2882 PWs) bands (ev): -20.9181 -20.9181 -8.9371 -8.9371 -5.8318 -5.8318 -5.0781 -5.0781 -4.9079 -4.9079 -2.1017 -2.1017 -0.1749 -0.1749 0.7192 0.7192 0.7402 0.7402 1.8744 1.8744 2.3606 2.3606 2.3993 2.3993 2.6581 2.6581 3.4253 3.4253 8.5861 8.5861 9.2728 9.2728 9.7112 9.7112 9.8568 9.8568 k = 0.4211 0.5000-0.0000 ( 2878 PWs) bands (ev): -20.9177 -20.9177 -8.9323 -8.9323 -5.8383 -5.8383 -5.0878 -5.0878 -4.9095 -4.9095 -2.1015 -2.1015 -0.1714 -0.1714 0.7174 0.7174 0.7389 0.7389 1.8727 1.8727 2.3783 2.3783 2.4078 2.4078 2.6585 2.6585 3.4418 3.4418 8.6341 8.6341 9.2405 9.2405 9.6922 9.6922 9.8380 9.8380 k = 0.4342 0.5000-0.0000 ( 2882 PWs) bands (ev): -20.9174 -20.9174 -8.9282 -8.9282 -5.8440 -5.8440 -5.0961 -5.0961 -4.9108 -4.9108 -2.1014 -2.1014 -0.1685 -0.1685 0.7158 0.7158 0.7378 0.7378 1.8711 1.8711 2.3928 2.3928 2.4160 2.4160 2.6585 2.6585 3.4563 3.4563 8.6727 8.6727 9.2222 9.2222 9.6761 9.6761 9.8216 9.8216 k = 0.4474 0.5000-0.0000 ( 2872 PWs) bands (ev): -20.9171 -20.9171 -8.9248 -8.9248 -5.8487 -5.8487 -5.1030 -5.1030 -4.9118 -4.9118 -2.1013 -2.1013 -0.1660 -0.1660 0.7144 0.7144 0.7369 0.7369 1.8698 1.8698 2.4039 2.4039 2.4240 2.4240 2.6583 2.6583 3.4685 3.4685 8.7006 8.7006 9.2174 9.2174 9.6629 9.6629 9.8077 9.8077 k = 0.4605 0.5000-0.0000 ( 2868 PWs) bands (ev): -20.9169 -20.9169 -8.9221 -8.9221 -5.8524 -5.8524 -5.1084 -5.1084 -4.9126 -4.9126 -2.1012 -2.1012 -0.1641 -0.1641 0.7133 0.7133 0.7362 0.7362 1.8688 1.8688 2.4117 2.4117 2.4314 2.4314 2.6579 2.6579 3.4782 3.4782 8.7184 8.7184 9.2232 9.2232 9.6527 9.6527 9.7963 9.7963 k = 0.4737 0.5000-0.0000 ( 2872 PWs) bands (ev): -20.9168 -20.9168 -8.9202 -8.9202 -5.8550 -5.8550 -5.1123 -5.1123 -4.9132 -4.9132 -2.1011 -2.1011 -0.1627 -0.1627 0.7126 0.7126 0.7357 0.7357 1.8680 1.8680 2.4166 2.4166 2.4374 2.4374 2.6575 2.6575 3.4853 3.4853 8.7282 8.7282 9.2342 9.2342 9.6453 9.6453 9.7876 9.7876 k = 0.4868 0.5000-0.0000 ( 2872 PWs) bands (ev): -20.9167 -20.9167 -8.9190 -8.9190 -5.8567 -5.8567 -5.1146 -5.1146 -4.9135 -4.9135 -2.1011 -2.1011 -0.1618 -0.1618 0.7121 0.7121 0.7354 0.7354 1.8676 1.8676 2.4194 2.4194 2.4412 2.4412 2.6573 2.6573 3.4896 3.4896 8.7328 8.7328 9.2441 9.2441 9.6409 9.6409 9.7821 9.7821 k = 0.5000 0.5000-0.0000 ( 2872 PWs) bands (ev): -20.9167 -20.9167 -8.9186 -8.9186 -5.8572 -5.8572 -5.1154 -5.1154 -4.9136 -4.9136 -2.1011 -2.1011 -0.1615 -0.1615 0.7119 0.7119 0.7353 0.7353 1.8674 1.8674 2.4203 2.4203 2.4426 2.4426 2.6572 2.6572 3.4911 3.4911 8.7340 8.7340 9.2481 9.2481 9.6394 9.6394 9.7801 9.7801 k = 0.5000 0.5000-0.0000 ( 2872 PWs) bands (ev): -20.9167 -20.9167 -8.9186 -8.9186 -5.8572 -5.8572 -5.1154 -5.1154 -4.9136 -4.9136 -2.1011 -2.1011 -0.1615 -0.1615 0.7119 0.7119 0.7353 0.7353 1.8674 1.8674 2.4203 2.4203 2.4426 2.4426 2.6572 2.6572 3.4911 3.4911 8.7340 8.7340 9.2481 9.2481 9.6394 9.6394 9.7801 9.7801 k = 0.4906 0.4906-0.0000 ( 2872 PWs) bands (ev): -20.9167 -20.9167 -8.9190 -8.9190 -5.8566 -5.8566 -5.1146 -5.1146 -4.9135 -4.9135 -2.1011 -2.1011 -0.1618 -0.1618 0.7121 0.7121 0.7354 0.7354 1.8676 1.8676 2.4193 2.4193 2.4412 2.4412 2.6573 2.6573 3.4896 3.4896 8.7328 8.7328 9.2440 9.2440 9.6409 9.6409 9.7821 9.7821 k = 0.4811 0.4811-0.0000 ( 2872 PWs) bands (ev): -20.9168 -20.9168 -8.9202 -8.9202 -5.8550 -5.8550 -5.1122 -5.1122 -4.9131 -4.9131 -2.1011 -2.1011 -0.1627 -0.1627 0.7126 0.7126 0.7357 0.7357 1.8681 1.8681 2.4159 2.4159 2.4378 2.4378 2.6575 2.6575 3.4851 3.4851 8.7289 8.7289 9.2327 9.2327 9.6454 9.6454 9.7879 9.7879 k = 0.4717 0.4717-0.0000 ( 2872 PWs) bands (ev): -20.9169 -20.9169 -8.9222 -8.9222 -5.8523 -5.8523 -5.1082 -5.1082 -4.9126 -4.9126 -2.1012 -2.1012 -0.1641 -0.1641 0.7134 0.7134 0.7363 0.7363 1.8688 1.8688 2.4086 2.4086 2.4339 2.4339 2.6580 2.6580 3.4778 3.4778 8.7220 8.7220 9.2174 9.2174 9.6527 9.6527 9.7969 9.7969 k = 0.4623 0.4623-0.0000 ( 2868 PWs) bands (ev): -20.9172 -20.9172 -8.9249 -8.9249 -5.8485 -5.8485 -5.1027 -5.1027 -4.9117 -4.9117 -2.1013 -2.1013 -0.1661 -0.1661 0.7144 0.7144 0.7370 0.7370 1.8699 1.8699 2.3964 2.3964 2.4309 2.4309 2.6584 2.6584 3.4675 3.4675 8.7118 8.7118 9.2018 9.2018 9.6626 9.6626 9.8090 9.8090 k = 0.4528 0.4528-0.0000 ( 2878 PWs) bands (ev): -20.9174 -20.9174 -8.9284 -8.9284 -5.8439 -5.8439 -5.0958 -5.0958 -4.9105 -4.9105 -2.1014 -2.1014 -0.1686 -0.1686 0.7157 0.7157 0.7381 0.7381 1.8712 1.8712 2.3795 2.3795 2.4285 2.4285 2.6589 2.6589 3.4543 3.4543 8.6978 8.6978 9.1891 9.1891 9.6749 9.6749 9.8239 9.8239 k = 0.4434 0.4434-0.0000 ( 2876 PWs) bands (ev): -20.9177 -20.9177 -8.9324 -8.9324 -5.8383 -5.8383 -5.0874 -5.0874 -4.9090 -4.9090 -2.1016 -2.1016 -0.1716 -0.1716 0.7172 0.7172 0.7393 0.7393 1.8728 1.8728 2.3588 2.3588 2.4266 2.4266 2.6593 2.6593 3.4384 3.4384 8.6803 8.6803 9.1818 9.1818 9.6892 9.6892 9.8420 9.8420 k = 0.4340 0.4340-0.0000 ( 2878 PWs) bands (ev): -20.9181 -20.9181 -8.9371 -8.9371 -5.8320 -5.8320 -5.0778 -5.0778 -4.9072 -4.9072 -2.1018 -2.1018 -0.1750 -0.1750 0.7188 0.7188 0.7409 0.7409 1.8746 1.8746 2.3347 2.3347 2.4248 2.4248 2.6596 2.6596 3.4199 3.4199 8.6597 8.6597 9.1810 9.1810 9.7053 9.7053 9.8635 9.8635 k = 0.4245 0.4245-0.0000 ( 2878 PWs) bands (ev): -20.9186 -20.9186 -8.9423 -8.9423 -5.8250 -5.8250 -5.0671 -5.0671 -4.9048 -4.9048 -2.1020 -2.1020 -0.1787 -0.1787 0.7205 0.7205 0.7427 0.7427 1.8765 1.8765 2.3079 2.3079 2.4230 2.4230 2.6597 2.6597 3.3987 3.3987 8.6371 8.6371 9.1873 9.1873 9.7228 9.7228 9.8887 9.8887 k = 0.4151 0.4151-0.0000 ( 2894 PWs) bands (ev): -20.9191 -20.9191 -8.9479 -8.9479 -5.8175 -5.8175 -5.0555 -5.0555 -4.9019 -4.9019 -2.1022 -2.1022 -0.1828 -0.1828 0.7222 0.7222 0.7447 0.7447 1.8786 1.8786 2.2787 2.2787 2.4213 2.4213 2.6596 2.6596 3.3751 3.3751 8.6134 8.6134 9.2003 9.2003 9.7414 9.7414 9.9178 9.9178 k = 0.4057 0.4057-0.0000 ( 2894 PWs) bands (ev): -20.9196 -20.9196 -8.9538 -8.9538 -5.8095 -5.8095 -5.0431 -5.0431 -4.8984 -4.8984 -2.1025 -2.1025 -0.1872 -0.1872 0.7240 0.7240 0.7471 0.7471 1.8807 1.8807 2.2477 2.2477 2.4196 2.4196 2.6594 2.6594 3.3492 3.3492 8.5900 8.5900 9.2195 9.2195 9.7611 9.7611 9.9509 9.9509 k = 0.3962 0.3962-0.0000 ( 2890 PWs) bands (ev): -20.9202 -20.9202 -8.9601 -8.9601 -5.8012 -5.8012 -5.0303 -5.0303 -4.8939 -4.8939 -2.1028 -2.1028 -0.1917 -0.1917 0.7257 0.7257 0.7497 0.7497 1.8829 1.8829 2.2154 2.2154 2.4180 2.4180 2.6590 2.6590 3.3211 3.3211 8.5678 8.5678 9.2443 9.2443 9.7817 9.7817 9.9881 9.9881 k = 0.3868 0.3868-0.0000 ( 2888 PWs) bands (ev): -20.9209 -20.9209 -8.9665 -8.9665 -5.7926 -5.7926 -5.0175 -5.0175 -4.8885 -4.8885 -2.1032 -2.1032 -0.1965 -0.1965 0.7274 0.7274 0.7525 0.7525 1.8850 1.8850 2.1821 2.1821 2.4164 2.4164 2.6585 2.6585 3.2910 3.2910 8.5478 8.5478 9.2741 9.2741 9.8031 9.8031 10.0294 10.0294 k = 0.3774 0.3774-0.0000 ( 2892 PWs) bands (ev): -20.9216 -20.9216 -8.9730 -8.9730 -5.7840 -5.7840 -5.0049 -5.0049 -4.8818 -4.8818 -2.1036 -2.1036 -0.2013 -0.2013 0.7290 0.7290 0.7554 0.7554 1.8869 1.8869 2.1485 2.1485 2.4149 2.4149 2.6577 2.6577 3.2591 3.2591 8.5306 8.5306 9.3083 9.3083 9.8253 9.8253 10.0744 10.0744 k = 0.3679 0.3679-0.0000 ( 2884 PWs) bands (ev): -20.9223 -20.9223 -8.9794 -8.9794 -5.7753 -5.7753 -4.9930 -4.9930 -4.8737 -4.8737 -2.1040 -2.1040 -0.2061 -0.2061 0.7305 0.7305 0.7584 0.7584 1.8884 1.8884 2.1151 2.1151 2.4136 2.4136 2.6569 2.6569 3.2255 3.2255 8.5167 8.5167 9.3465 9.3465 9.8484 9.8484 10.1231 10.1231 k = 0.3585 0.3585-0.0000 ( 2884 PWs) bands (ev): -20.9231 -20.9231 -8.9858 -8.9858 -5.7666 -5.7666 -4.9821 -4.9821 -4.8640 -4.8640 -2.1045 -2.1045 -0.2110 -0.2110 0.7320 0.7320 0.7615 0.7615 1.8894 1.8894 2.0825 2.0825 2.4125 2.4125 2.6559 2.6559 3.1904 3.1904 8.5065 8.5065 9.3884 9.3884 9.8725 9.8725 10.1752 10.1752 k = 0.3491 0.3491-0.0000 ( 2880 PWs) bands (ev): -20.9239 -20.9239 -8.9921 -8.9921 -5.7581 -5.7581 -4.9724 -4.9724 -4.8527 -4.8527 -2.1051 -2.1051 -0.2157 -0.2157 0.7334 0.7334 0.7646 0.7646 1.8895 1.8895 2.0514 2.0514 2.4117 2.4117 2.6548 2.6548 3.1541 3.1541 8.5003 8.5003 9.4334 9.4334 9.8975 9.8975 10.2305 10.2305 k = 0.3396 0.3396-0.0000 ( 2880 PWs) bands (ev): -20.9248 -20.9248 -8.9981 -8.9981 -5.7498 -5.7498 -4.9639 -4.9639 -4.8400 -4.8400 -2.1057 -2.1057 -0.2203 -0.2203 0.7348 0.7348 0.7677 0.7677 1.8882 1.8882 2.0228 2.0228 2.4110 2.4110 2.6535 2.6535 3.1167 3.1167 8.4982 8.4982 9.4813 9.4813 9.9235 9.9235 10.2886 10.2886 k = 0.3302 0.3302-0.0000 ( 2880 PWs) bands (ev): -20.9257 -20.9257 -9.0038 -9.0038 -5.7417 -5.7417 -4.9566 -4.9566 -4.8262 -4.8262 -2.1063 -2.1063 -0.2248 -0.2248 0.7361 0.7361 0.7706 0.7706 1.8848 1.8848 1.9978 1.9978 2.4107 2.4107 2.6522 2.6522 3.0784 3.0784 8.5005 8.5005 9.5318 9.5318 9.9505 9.9505 10.3493 10.3493 k = 0.3208 0.3208-0.0000 ( 2880 PWs) bands (ev): -20.9267 -20.9267 -9.0091 -9.0091 -5.7340 -5.7340 -4.9502 -4.9502 -4.8117 -4.8117 -2.1071 -2.1071 -0.2290 -0.2290 0.7374 0.7374 0.7734 0.7734 1.8782 1.8782 1.9776 1.9776 2.4108 2.4108 2.6507 2.6507 3.0395 3.0395 8.5071 8.5071 9.5846 9.5846 9.9787 9.9787 10.4122 10.4122 k = 0.3113 0.3113-0.0000 ( 2878 PWs) bands (ev): -20.9277 -20.9277 -9.0139 -9.0139 -5.7266 -5.7266 -4.9446 -4.9446 -4.7969 -4.7969 -2.1078 -2.1078 -0.2330 -0.2330 0.7385 0.7385 0.7760 0.7760 1.8681 1.8681 1.9631 1.9631 2.4112 2.4112 2.6492 2.6492 3.0002 3.0002 8.5181 8.5181 9.6392 9.6392 10.0078 10.0078 10.4770 10.4770 k = 0.3019 0.3019-0.0000 ( 2874 PWs) bands (ev): -20.9287 -20.9287 -9.0183 -9.0183 -5.7195 -5.7195 -4.9397 -4.9397 -4.7821 -4.7821 -2.1087 -2.1087 -0.2367 -0.2367 0.7396 0.7396 0.7783 0.7783 1.8551 1.8551 1.9540 1.9540 2.4119 2.4119 2.6475 2.6475 2.9606 2.9606 8.5335 8.5335 9.6954 9.6954 10.0380 10.0380 10.5431 10.5431 k = 0.2925 0.2925-0.0000 ( 2870 PWs) bands (ev): -20.9297 -20.9297 -9.0221 -9.0221 -5.7130 -5.7130 -4.9351 -4.9351 -4.7678 -4.7678 -2.1096 -2.1096 -0.2401 -0.2401 0.7407 0.7407 0.7804 0.7804 1.8409 1.8409 1.9487 1.9487 2.4131 2.4131 2.6457 2.6457 2.9211 2.9211 8.5533 8.5533 9.7527 9.7527 10.0692 10.0692 10.6101 10.6101 k = 0.2830 0.2830-0.0000 ( 2870 PWs) bands (ev): -20.9308 -20.9308 -9.0254 -9.0254 -5.7068 -5.7068 -4.9309 -4.9309 -4.7542 -4.7542 -2.1106 -2.1106 -0.2431 -0.2431 0.7417 0.7417 0.7822 0.7822 1.8271 1.8271 1.9459 1.9459 2.4147 2.4147 2.6438 2.6438 2.8819 2.8819 8.5775 8.5775 9.8108 9.8108 10.1014 10.1014 10.6775 10.6775 k = 0.2736 0.2736-0.0000 ( 2874 PWs) bands (ev): -20.9318 -20.9318 -9.0281 -9.0281 -5.7012 -5.7012 -4.9270 -4.9270 -4.7416 -4.7416 -2.1116 -2.1116 -0.2458 -0.2458 0.7426 0.7426 0.7837 0.7837 1.8150 1.8150 1.9445 1.9445 2.4167 2.4167 2.6417 2.6417 2.8433 2.8433 8.6059 8.6059 9.8690 9.8690 10.1346 10.1346 10.7445 10.7445 k = 0.2642 0.2642-0.0000 ( 2872 PWs) bands (ev): -20.9329 -20.9329 -9.0301 -9.0301 -5.6960 -5.6960 -4.9232 -4.9232 -4.7301 -4.7301 -2.1128 -2.1128 -0.2481 -0.2481 0.7434 0.7434 0.7849 0.7849 1.8053 1.8053 1.9439 1.9439 2.4191 2.4191 2.6392 2.6392 2.8055 2.8055 8.6385 8.6385 9.9269 9.9269 10.1688 10.1688 10.8103 10.8103 k = 0.2547 0.2547-0.0000 ( 2868 PWs) bands (ev): -20.9340 -20.9340 -9.0315 -9.0315 -5.6913 -5.6913 -4.9196 -4.9196 -4.7200 -4.7200 -2.1139 -2.1139 -0.2501 -0.2501 0.7441 0.7441 0.7857 0.7857 1.7985 1.7985 1.9438 1.9438 2.4219 2.4219 2.6361 2.6361 2.7692 2.7692 8.6753 8.6753 9.9838 9.9838 10.2038 10.2038 10.8742 10.8742 k = 0.2453 0.2453-0.0000 ( 2862 PWs) bands (ev): -20.9351 -20.9351 -9.0322 -9.0322 -5.6872 -5.6872 -4.9160 -4.9160 -4.7114 -4.7114 -2.1152 -2.1152 -0.2516 -0.2516 0.7448 0.7448 0.7862 0.7862 1.7947 1.7947 1.9439 1.9439 2.4252 2.4252 2.6321 2.6321 2.7349 2.7349 8.7161 8.7161 10.0390 10.0390 10.2397 10.2397 10.9351 10.9351 k = 0.2358 0.2358-0.0000 ( 2858 PWs) bands (ev): -20.9362 -20.9362 -9.0323 -9.0323 -5.6835 -5.6835 -4.9125 -4.9125 -4.7044 -4.7044 -2.1164 -2.1164 -0.2527 -0.2527 0.7453 0.7453 0.7863 0.7863 1.7941 1.7941 1.9440 1.9440 2.4289 2.4289 2.6258 2.6258 2.7040 2.7040 8.7608 8.7608 10.0916 10.0916 10.2761 10.2761 10.9919 10.9919 k = 0.2264 0.2264-0.0000 ( 2862 PWs) bands (ev): -20.9373 -20.9373 -9.0317 -9.0317 -5.6804 -5.6804 -4.9091 -4.9091 -4.6989 -4.6989 -2.1178 -2.1178 -0.2535 -0.2535 0.7458 0.7458 0.7861 0.7861 1.7966 1.7966 1.9442 1.9442 2.4329 2.4329 2.6153 2.6153 2.6789 2.6789 8.8093 8.8093 10.1407 10.1407 10.3130 10.3130 11.0434 11.0434 k = 0.2170 0.2170-0.0000 ( 2872 PWs) bands (ev): -20.9385 -20.9385 -9.0306 -9.0306 -5.6778 -5.6778 -4.9058 -4.9058 -4.6951 -4.6951 -2.1192 -2.1192 -0.2539 -0.2539 0.7462 0.7462 0.7857 0.7857 1.8020 1.8020 1.9444 1.9444 2.4372 2.4372 2.5981 2.5981 2.6622 2.6622 8.8614 8.8614 10.1854 10.1854 10.3500 10.3500 11.0885 11.0885 k = 0.2075 0.2075-0.0000 ( 2870 PWs) bands (ev): -20.9396 -20.9396 -9.0288 -9.0288 -5.6757 -5.6757 -4.9025 -4.9025 -4.6928 -4.6928 -2.1206 -2.1206 -0.2539 -0.2539 0.7465 0.7465 0.7849 0.7849 1.8102 1.8102 1.9445 1.9445 2.4419 2.4419 2.5757 2.5757 2.6527 2.6527 8.9171 8.9171 10.2247 10.2247 10.3866 10.3866 11.1262 11.1262 k = 0.1981 0.1981-0.0000 ( 2868 PWs) bands (ev): -20.9406 -20.9406 -9.0265 -9.0265 -5.6741 -5.6741 -4.8993 -4.8993 -4.6920 -4.6920 -2.1220 -2.1220 -0.2536 -0.2536 0.7466 0.7466 0.7839 0.7839 1.8207 1.8207 1.9445 1.9445 2.4469 2.4469 2.5518 2.5518 2.6472 2.6472 8.9761 8.9761 10.2574 10.2574 10.4228 10.4228 11.1557 11.1557 k = 0.1887 0.1887-0.0000 ( 2864 PWs) bands (ev): -20.9417 -20.9417 -9.0236 -9.0236 -5.6729 -5.6729 -4.8962 -4.8962 -4.6927 -4.6927 -2.1235 -2.1235 -0.2530 -0.2530 0.7467 0.7467 0.7828 0.7828 1.8330 1.8330 1.9445 1.9445 2.4521 2.4521 2.5287 2.5287 2.6436 2.6436 9.0382 9.0382 10.2824 10.2824 10.4581 10.4581 11.1764 11.1764 k = 0.1792 0.1792-0.0000 ( 2865 PWs) bands (ev): -20.9428 -20.9428 -9.0203 -9.0203 -5.6723 -5.6723 -4.8933 -4.8933 -4.6947 -4.6947 -2.1249 -2.1249 -0.2521 -0.2521 0.7466 0.7466 0.7814 0.7814 1.8468 1.8468 1.9444 1.9444 2.4574 2.4574 2.5077 2.5077 2.6409 2.6409 9.1033 9.1033 10.2984 10.2984 10.4928 10.4928 11.1885 11.1885 k = 0.1698 0.1698-0.0000 ( 2865 PWs) bands (ev): -20.9438 -20.9438 -9.0166 -9.0166 -5.6721 -5.6721 -4.8905 -4.8905 -4.6978 -4.6978 -2.1264 -2.1264 -0.2509 -0.2509 0.7465 0.7465 0.7799 0.7799 1.8613 1.8613 1.9443 1.9443 2.4625 2.4625 2.4899 2.4899 2.6387 2.6387 9.1710 9.1710 10.3048 10.3048 10.5269 10.5269 11.1925 11.1925 k = 0.1604 0.1604-0.0000 ( 2865 PWs) bands (ev): -20.9448 -20.9448 -9.0124 -9.0124 -5.6723 -5.6723 -4.8879 -4.8879 -4.7019 -4.7019 -2.1278 -2.1278 -0.2495 -0.2495 0.7461 0.7461 0.7784 0.7784 1.8758 1.8758 1.9441 1.9441 2.4655 2.4655 2.4779 2.4779 2.6368 2.6368 9.2411 9.2411 10.3013 10.3013 10.5607 10.5607 11.1894 11.1894 k = 0.1509 0.1509-0.0000 ( 2861 PWs) bands (ev): -20.9457 -20.9457 -9.0080 -9.0080 -5.6729 -5.6729 -4.8855 -4.8855 -4.7068 -4.7068 -2.1292 -2.1292 -0.2478 -0.2478 0.7457 0.7457 0.7768 0.7768 1.8898 1.8898 1.9439 1.9439 2.4603 2.4603 2.4780 2.4780 2.6352 2.6352 9.3133 9.3133 10.2887 10.2887 10.5941 10.5941 11.1802 11.1802 k = 0.1415 0.1415-0.0000 ( 2867 PWs) bands (ev): -20.9467 -20.9467 -9.0033 -9.0033 -5.6739 -5.6739 -4.8834 -4.8834 -4.7123 -4.7123 -2.1306 -2.1306 -0.2461 -0.2461 0.7451 0.7451 0.7752 0.7752 1.9025 1.9025 1.9436 1.9436 2.4543 2.4543 2.4832 2.4832 2.6337 2.6337 9.3871 9.3871 10.2680 10.2680 10.6270 10.6270 11.1664 11.1664 k = 0.1321 0.1321-0.0000 ( 2871 PWs) bands (ev): -20.9475 -20.9475 -8.9985 -8.9985 -5.6752 -5.6752 -4.8816 -4.8816 -4.7182 -4.7182 -2.1320 -2.1320 -0.2442 -0.2442 0.7443 0.7443 0.7736 0.7736 1.9133 1.9133 1.9434 1.9434 2.4520 2.4520 2.4891 2.4891 2.6323 2.6323 9.4620 9.4620 10.2410 10.2410 10.6592 10.6592 11.1492 11.1492 k = 0.1226 0.1226-0.0000 ( 2867 PWs) bands (ev): -20.9484 -20.9484 -8.9935 -8.9935 -5.6767 -5.6767 -4.8802 -4.8802 -4.7244 -4.7244 -2.1332 -2.1332 -0.2422 -0.2422 0.7434 0.7434 0.7722 0.7722 1.9219 1.9219 1.9432 1.9432 2.4538 2.4538 2.4952 2.4952 2.6311 2.6311 9.5375 9.5375 10.2094 10.2094 10.6905 10.6905 11.1299 11.1299 k = 0.1132 0.1132-0.0000 ( 2863 PWs) bands (ev): -20.9492 -20.9492 -8.9885 -8.9885 -5.6785 -5.6785 -4.8791 -4.8791 -4.7305 -4.7305 -2.1344 -2.1344 -0.2401 -0.2401 0.7424 0.7424 0.7708 0.7708 1.9281 1.9281 1.9430 1.9430 2.4595 2.4595 2.5014 2.5014 2.6300 2.6300 9.6130 9.6130 10.1749 10.1749 10.7207 10.7207 11.1096 11.1096 k = 0.1038 0.1038-0.0000 ( 2867 PWs) bands (ev): -20.9499 -20.9499 -8.9836 -8.9836 -5.6804 -5.6804 -4.8784 -4.8784 -4.7365 -4.7365 -2.1356 -2.1356 -0.2381 -0.2381 0.7413 0.7413 0.7695 0.7695 1.9321 1.9321 1.9428 1.9428 2.4685 2.4685 2.5076 2.5076 2.6292 2.6292 9.6875 9.6875 10.1390 10.1390 10.7494 10.7494 11.0892 11.0892 k = 0.0943 0.0943-0.0000 ( 2867 PWs) bands (ev): -20.9506 -20.9506 -8.9787 -8.9787 -5.6824 -5.6824 -4.8782 -4.8782 -4.7421 -4.7421 -2.1367 -2.1367 -0.2360 -0.2360 0.7401 0.7401 0.7684 0.7684 1.9342 1.9342 1.9424 1.9424 2.4800 2.4800 2.5138 2.5138 2.6285 2.6285 9.7601 9.7601 10.1031 10.1031 10.7764 10.7764 11.0697 11.0697 k = 0.0849 0.0849-0.0000 ( 2875 PWs) bands (ev): -20.9512 -20.9512 -8.9741 -8.9741 -5.6845 -5.6845 -4.8783 -4.8783 -4.7473 -4.7473 -2.1377 -2.1377 -0.2341 -0.2341 0.7389 0.7389 0.7674 0.7674 1.9349 1.9349 1.9416 1.9416 2.4929 2.4929 2.5201 2.5201 2.6282 2.6282 9.8297 9.8297 10.0681 10.0681 10.8014 10.8014 11.0515 11.0515 k = 0.0755 0.0755-0.0000 ( 2871 PWs) bands (ev): -20.9518 -20.9518 -8.9697 -8.9697 -5.6866 -5.6866 -4.8788 -4.8788 -4.7520 -4.7520 -2.1386 -2.1386 -0.2322 -0.2322 0.7377 0.7377 0.7665 0.7665 1.9346 1.9346 1.9407 1.9407 2.5062 2.5062 2.5266 2.5266 2.6284 2.6284 9.8949 9.8949 10.0352 10.0352 10.8238 10.8238 11.0351 11.0351 k = 0.0660 0.0660-0.0000 ( 2875 PWs) bands (ev): -20.9523 -20.9523 -8.9657 -8.9657 -5.6886 -5.6886 -4.8795 -4.8795 -4.7560 -4.7560 -2.1394 -2.1394 -0.2305 -0.2305 0.7364 0.7364 0.7658 0.7658 1.9334 1.9334 1.9397 1.9397 2.5180 2.5180 2.5339 2.5339 2.6291 2.6291 9.9534 9.9534 10.0058 10.0058 10.8430 10.8430 11.0206 11.0206 k = 0.0566 0.0566-0.0000 ( 2871 PWs) bands (ev): -20.9528 -20.9528 -8.9621 -8.9621 -5.6905 -5.6905 -4.8805 -4.8805 -4.7594 -4.7594 -2.1400 -2.1400 -0.2289 -0.2289 0.7353 0.7353 0.7652 0.7652 1.9315 1.9315 1.9390 1.9390 2.5272 2.5272 2.5423 2.5423 2.6307 2.6307 9.9729 9.9729 10.0118 10.0118 10.8579 10.8579 11.0085 11.0085 k = 0.0472 0.0472-0.0000 ( 2865 PWs) bands (ev): -20.9531 -20.9531 -8.9589 -8.9589 -5.6922 -5.6922 -4.8816 -4.8816 -4.7622 -4.7622 -2.1406 -2.1406 -0.2275 -0.2275 0.7343 0.7343 0.7647 0.7647 1.9293 1.9293 1.9385 1.9385 2.5337 2.5337 2.5508 2.5508 2.6331 2.6331 9.9509 9.9509 10.0550 10.0550 10.8676 10.8676 10.9994 10.9994 k = 0.0377 0.0377-0.0000 ( 2857 PWs) bands (ev): -20.9535 -20.9535 -8.9562 -8.9562 -5.6936 -5.6936 -4.8827 -4.8827 -4.7644 -4.7644 -2.1411 -2.1411 -0.2263 -0.2263 0.7334 0.7334 0.7643 0.7643 1.9271 1.9271 1.9382 1.9382 2.5386 2.5386 2.5580 2.5580 2.6362 2.6362 9.9312 9.9312 10.0912 10.0912 10.8722 10.8722 10.9939 10.9939 k = 0.0283 0.0283-0.0000 ( 2863 PWs) bands (ev): -20.9537 -20.9537 -8.9540 -8.9540 -5.6948 -5.6948 -4.8836 -4.8836 -4.7660 -4.7660 -2.1415 -2.1415 -0.2254 -0.2254 0.7327 0.7327 0.7640 0.7640 1.9251 1.9251 1.9380 1.9380 2.5423 2.5423 2.5632 2.5632 2.6396 2.6396 9.9155 9.9155 10.1190 10.1190 10.8729 10.8729 10.9912 10.9912 k = 0.0189 0.0189-0.0000 ( 2867 PWs) bands (ev): -20.9539 -20.9539 -8.9525 -8.9525 -5.6957 -5.6957 -4.8844 -4.8844 -4.7672 -4.7672 -2.1418 -2.1418 -0.2247 -0.2247 0.7321 0.7321 0.7638 0.7638 1.9236 1.9236 1.9378 1.9378 2.5451 2.5451 2.5665 2.5665 2.6427 2.6427 9.9040 9.9040 10.1384 10.1384 10.8718 10.8718 10.9903 10.9903 k = 0.0094 0.0094-0.0000 ( 2865 PWs) bands (ev): -20.9540 -20.9540 -8.9515 -8.9515 -5.6962 -5.6962 -4.8849 -4.8849 -4.7678 -4.7678 -2.1420 -2.1420 -0.2243 -0.2243 0.7318 0.7318 0.7636 0.7636 1.9227 1.9227 1.9377 1.9377 2.5467 2.5467 2.5683 2.5683 2.6449 2.6449 9.8971 9.8971 10.1498 10.1498 10.8705 10.8705 10.9901 10.9901 k = 0.0000 0.0000 0.0000 ( 2881 PWs) bands (ev): -20.9540 -20.9540 -8.9512 -8.9512 -5.6964 -5.6964 -4.8850 -4.8850 -4.7680 -4.7680 -2.1420 -2.1420 -0.2242 -0.2242 0.7317 0.7317 0.7636 0.7636 1.9223 1.9223 1.9377 1.9377 2.5473 2.5473 2.5688 2.5688 2.6456 2.6456 9.8948 9.8948 10.1535 10.1535 10.8700 10.8700 10.9901 10.9901 k = 0.0000 0.0000 0.0000 ( 2881 PWs) bands (ev): -20.9540 -20.9540 -8.9512 -8.9512 -5.6964 -5.6964 -4.8850 -4.8850 -4.7680 -4.7680 -2.1420 -2.1420 -0.2242 -0.2242 0.7317 0.7317 0.7636 0.7636 1.9223 1.9223 1.9377 1.9377 2.5473 2.5473 2.5688 2.5688 2.6456 2.6456 9.8948 9.8948 10.1535 10.1535 10.8700 10.8700 10.9901 10.9901 k = 0.0000 0.0000 0.0131 ( 2865 PWs) bands (ev): -20.9540 -20.9540 -8.9508 -8.9508 -5.6965 -5.6965 -4.8853 -4.8853 -4.7681 -4.7681 -2.1488 -2.1488 -0.2162 -0.2162 0.7305 0.7305 0.7628 0.7628 1.9216 1.9216 1.9339 1.9339 2.5468 2.5468 2.5733 2.5733 2.6526 2.6526 9.8948 9.8948 10.1526 10.1526 10.8521 10.8521 10.9776 10.9776 k = 0.0000 0.0000 0.0262 ( 2865 PWs) bands (ev): -20.9540 -20.9540 -8.9494 -8.9494 -5.6968 -5.6968 -4.8859 -4.8859 -4.7681 -4.7681 -2.1687 -2.1687 -0.1925 -0.1925 0.7268 0.7268 0.7606 0.7606 1.9193 1.9193 1.9229 1.9229 2.5455 2.5455 2.5864 2.5864 2.6724 2.6724 9.8947 9.8947 10.1497 10.1497 10.8014 10.8014 10.9411 10.9411 k = 0.0000 0.0000 0.0393 ( 2853 PWs) bands (ev): -20.9540 -20.9540 -8.9471 -8.9471 -5.6974 -5.6974 -4.8871 -4.8871 -4.7682 -4.7682 -2.2008 -2.2008 -0.1545 -0.1545 0.7210 0.7210 0.7568 0.7568 1.9059 1.9059 1.9159 1.9159 2.5443 2.5443 2.6078 2.6078 2.7035 2.7035 9.8945 9.8945 10.1441 10.1441 10.7257 10.7257 10.8835 10.8835 k = 0.0000 0.0000 0.0525 ( 2861 PWs) bands (ev): -20.9540 -20.9540 -8.9439 -8.9439 -5.6982 -5.6982 -4.8886 -4.8886 -4.7683 -4.7683 -2.2433 -2.2433 -0.1038 -0.1038 0.7132 0.7132 0.7516 0.7516 1.8843 1.8843 1.9118 1.9118 2.5433 2.5433 2.6368 2.6368 2.7438 2.7438 9.8942 9.8942 10.1346 10.1346 10.6346 10.6346 10.8083 10.8083 k = 0.0000 0.0000 0.0656 ( 2865 PWs) bands (ev): -20.9539 -20.9539 -8.9399 -8.9399 -5.6992 -5.6992 -4.8906 -4.8906 -4.7684 -4.7684 -2.2945 -2.2945 -0.0425 -0.0425 0.7039 0.7039 0.7449 0.7449 1.8597 1.8597 1.9075 1.9075 2.5427 2.5427 2.6726 2.6726 2.7917 2.7917 9.8938 9.8938 10.1185 10.1185 10.5375 10.5375 10.7194 10.7194 k = 0.0000 0.0000 0.0787 ( 2857 PWs) bands (ev): -20.9539 -20.9539 -8.9350 -8.9350 -5.7004 -5.7004 -4.8930 -4.8930 -4.7686 -4.7686 -2.3526 -2.3526 0.0272 0.0272 0.6938 0.6938 0.7369 0.7369 1.8333 1.8333 1.9033 1.9033 2.5423 2.5423 2.7145 2.7145 2.8459 2.8459 9.8933 9.8933 10.0912 10.0912 10.4438 10.4438 10.6200 10.6200 k = 0.0000 0.0000 0.0918 ( 2857 PWs) bands (ev): -20.9539 -20.9539 -8.9293 -8.9293 -5.7018 -5.7018 -4.8958 -4.8958 -4.7687 -4.7687 -2.4159 -2.4159 0.1026 0.1026 0.6838 0.6838 0.7276 0.7276 1.8063 1.8063 1.8997 1.8997 2.5421 2.5421 2.7617 2.7617 2.9052 2.9052 9.8927 9.8928 10.0448 10.0448 10.3640 10.3640 10.5130 10.5130 k = 0.0000 0.0000 0.1049 ( 2856 PWs) bands (ev): -20.9538 -20.9538 -8.9229 -8.9229 -5.7034 -5.7034 -4.8989 -4.8989 -4.7690 -4.7690 -2.4829 -2.4829 0.1809 0.1809 0.6754 0.6754 0.7171 0.7171 1.7793 1.7793 1.8969 1.8969 2.5422 2.5422 2.8135 2.8135 2.9686 2.9686 9.8920 9.8920 9.9734 9.9734 10.3060 10.3060 10.4006 10.4006 k = 0.0000 0.0000 0.1180 ( 2856 PWs) bands (ev): -20.9538 -20.9538 -8.9158 -8.9158 -5.7052 -5.7052 -4.9025 -4.9025 -4.7692 -4.7692 -2.5522 -2.5522 0.2583 0.2583 0.6715 0.6715 0.7055 0.7055 1.7529 1.7529 1.8950 1.8950 2.5423 2.5423 2.8692 2.8692 3.0354 3.0354 9.8796 9.8796 9.8911 9.8911 10.2684 10.2684 10.2845 10.2845 k = 0.0000 0.0000 0.1311 ( 2868 PWs) bands (ev): -20.9537 -20.9537 -8.9081 -8.9081 -5.7072 -5.7072 -4.9063 -4.9063 -4.7694 -4.7694 -2.6229 -2.6229 0.3290 0.3290 0.6768 0.6768 0.6930 0.6930 1.7276 1.7276 1.8942 1.8942 2.5426 2.5426 2.9281 2.9281 3.1050 3.1050 9.7717 9.7717 9.8899 9.8899 10.1662 10.1662 10.2437 10.2437 k = 0.0000 0.0000 0.1443 ( 2848 PWs) bands (ev): -20.9537 -20.9537 -8.8998 -8.8998 -5.7093 -5.7093 -4.9105 -4.9105 -4.7697 -4.7697 -2.6939 -2.6939 0.3847 0.3847 0.6796 0.6796 0.6988 0.6988 1.7036 1.7036 1.8945 1.8945 2.5429 2.5429 2.9899 2.9899 3.1767 3.1767 9.6565 9.6565 9.8875 9.8875 10.0478 10.0478 10.2257 10.2257 k = 0.0000 0.0000 0.1574 ( 2868 PWs) bands (ev): -20.9536 -20.9536 -8.8910 -8.8910 -5.7117 -5.7117 -4.9149 -4.9149 -4.7700 -4.7700 -2.7645 -2.7645 0.4185 0.4185 0.6656 0.6656 0.7437 0.7437 1.6812 1.6812 1.8958 1.8958 2.5433 2.5433 3.0539 3.0539 3.2501 3.2501 9.5382 9.5382 9.8770 9.8770 9.9371 9.9371 10.2106 10.2106 k = 0.0000 0.0000 0.1705 ( 2868 PWs) bands (ev): -20.9536 -20.9536 -8.8818 -8.8818 -5.7141 -5.7141 -4.9196 -4.9196 -4.7702 -4.7702 -2.8340 -2.8340 0.4313 0.4313 0.6510 0.6510 0.8100 0.8100 1.6603 1.6603 1.8980 1.8980 2.5437 2.5437 3.1195 3.1195 3.3247 3.3247 9.4192 9.4192 9.7960 9.7960 9.8971 9.8971 10.1967 10.1967 k = 0.0000 0.0000 0.1836 ( 2868 PWs) bands (ev): -20.9535 -20.9535 -8.8722 -8.8722 -5.7167 -5.7167 -4.9245 -4.9245 -4.7705 -4.7705 -2.9019 -2.9019 0.4302 0.4302 0.6361 0.6361 0.8901 0.8901 1.6410 1.6410 1.9011 1.9011 2.5442 2.5442 3.1864 3.1864 3.4000 3.4000 9.3008 9.3008 9.6806 9.6806 9.8927 9.8927 10.1830 10.1830 k = 0.0000 0.0000 0.1967 ( 2868 PWs) bands (ev): -20.9534 -20.9534 -8.8624 -8.8624 -5.7194 -5.7194 -4.9295 -4.9295 -4.7708 -4.7708 -2.9676 -2.9676 0.4215 0.4215 0.6210 0.6210 0.9771 0.9771 1.6233 1.6233 1.9050 1.9050 2.5446 2.5446 3.2540 3.2540 3.4757 3.4757 9.1842 9.1842 9.5642 9.5642 9.8909 9.8909 10.1687 10.1687 k = 0.0000 0.0000 0.2098 ( 2876 PWs) bands (ev): -20.9534 -20.9534 -8.8525 -8.8525 -5.7221 -5.7221 -4.9347 -4.9347 -4.7711 -4.7711 -3.0308 -3.0308 0.4087 0.4087 0.6059 0.6059 1.0670 1.0670 1.6072 1.6072 1.9095 1.9095 2.5451 2.5451 3.3218 3.3218 3.5511 3.5511 9.0700 9.0700 9.4496 9.4496 9.8897 9.8897 10.1535 10.1535 k = 0.0000 0.0000 0.2229 ( 2884 PWs) bands (ev): -20.9533 -20.9533 -8.8426 -8.8426 -5.7249 -5.7249 -4.9399 -4.9399 -4.7714 -4.7714 -3.0912 -3.0912 0.3940 0.3940 0.5909 0.5909 1.1572 1.1572 1.5926 1.5926 1.9144 1.9144 2.5456 2.5456 3.3894 3.3894 3.6259 3.6259 8.9590 8.9590 9.3376 9.3376 9.8886 9.8886 10.1375 10.1375 k = 0.0000 0.0000 0.2361 ( 2884 PWs) bands (ev): -20.9532 -20.9532 -8.8327 -8.8327 -5.7278 -5.7278 -4.9451 -4.9451 -4.7717 -4.7717 -3.1484 -3.1484 0.3784 0.3784 0.5763 0.5763 1.2461 1.2461 1.5795 1.5795 1.9198 1.9198 2.5462 2.5462 3.4561 3.4561 3.6996 3.6996 8.8518 8.8518 9.2290 9.2290 9.8877 9.8877 10.1206 10.1206 k = 0.0000 0.0000 0.2492 ( 2892 PWs) bands (ev): -20.9532 -20.9532 -8.8230 -8.8230 -5.7306 -5.7306 -4.9503 -4.9503 -4.7720 -4.7720 -3.2022 -3.2022 0.3627 0.3627 0.5621 0.5621 1.3324 1.3324 1.5677 1.5677 1.9254 1.9254 2.5467 2.5467 3.5215 3.5215 3.7716 3.7716 8.7490 8.7490 9.1244 9.1244 9.8869 9.8869 10.1030 10.1030 k = 0.0000 0.0000 0.2623 ( 2888 PWs) bands (ev): -20.9531 -20.9531 -8.8135 -8.8135 -5.7334 -5.7334 -4.9554 -4.9554 -4.7723 -4.7723 -3.2523 -3.2523 0.3473 0.3473 0.5485 0.5485 1.4151 1.4151 1.5572 1.5572 1.9311 1.9311 2.5471 2.5471 3.5850 3.5850 3.8415 3.8415 8.6511 8.6511 9.0244 9.0244 9.8861 9.8861 10.0848 10.0848 k = 0.0000 0.0000 0.2754 ( 2884 PWs) bands (ev): -20.9531 -20.9531 -8.8044 -8.8044 -5.7362 -5.7362 -4.9604 -4.9604 -4.7726 -4.7726 -3.2985 -3.2985 0.3326 0.3326 0.5357 0.5357 1.4935 1.4935 1.5479 1.5479 1.9369 1.9369 2.5476 2.5476 3.6460 3.6460 3.9085 3.9085 8.5588 8.5588 8.9297 8.9297 9.8854 9.8854 10.0665 10.0665 k = 0.0000 0.0000 0.2885 ( 2876 PWs) bands (ev): -20.9530 -20.9530 -8.7958 -8.7958 -5.7388 -5.7388 -4.9651 -4.9651 -4.7728 -4.7728 -3.3408 -3.3408 0.3188 0.3188 0.5238 0.5238 1.5398 1.5398 1.5668 1.5668 1.9425 1.9425 2.5481 2.5481 3.7039 3.7039 3.9721 3.9721 8.4726 8.4726 8.8411 8.8411 9.8848 9.8848 10.0483 10.0483 k = 0.0000 0.0000 0.3016 ( 2876 PWs) bands (ev): -20.9530 -20.9530 -8.7878 -8.7878 -5.7413 -5.7413 -4.9696 -4.9696 -4.7730 -4.7730 -3.3789 -3.3789 0.3061 0.3061 0.5128 0.5128 1.5327 1.5327 1.6342 1.6342 1.9480 1.9480 2.5485 2.5485 3.7581 3.7581 4.0315 4.0315 8.3932 8.3932 8.7590 8.7590 9.8842 9.8842 10.0305 10.0305 k = 0.0000 0.0000 0.3147 ( 2876 PWs) bands (ev): -20.9529 -20.9529 -8.7805 -8.7805 -5.7436 -5.7436 -4.9737 -4.9737 -4.7733 -4.7733 -3.4127 -3.4127 0.2947 0.2947 0.5029 0.5029 1.5266 1.5266 1.6952 1.6952 1.9533 1.9533 2.5488 2.5488 3.8079 3.8079 4.0862 4.0862 8.3212 8.3212 8.6843 8.6843 9.8836 9.8836 10.0135 10.0135 k = 0.0000 0.0000 0.3279 ( 2876 PWs) bands (ev): -20.9529 -20.9529 -8.7739 -8.7739 -5.7457 -5.7457 -4.9774 -4.9774 -4.7734 -4.7734 -3.4422 -3.4422 0.2846 0.2846 0.4942 0.4942 1.5214 1.5214 1.7490 1.7490 1.9583 1.9583 2.5492 2.5492 3.8527 3.8527 4.1355 4.1355 8.2572 8.2572 8.6178 8.6178 9.8831 9.8831 9.9978 9.9978 k = 0.0000 0.0000 0.3410 ( 2872 PWs) bands (ev): -20.9528 -20.9528 -8.7682 -8.7682 -5.7476 -5.7476 -4.9806 -4.9806 -4.7736 -4.7736 -3.4673 -3.4673 0.2759 0.2759 0.4866 0.4866 1.5171 1.5171 1.7951 1.7951 1.9630 1.9630 2.5495 2.5495 3.8918 3.8918 4.1786 4.1786 8.2018 8.2018 8.5600 8.5600 9.8827 9.8827 9.9838 9.9838 k = 0.0000 0.0000 0.3541 ( 2872 PWs) bands (ev): -20.9528 -20.9528 -8.7634 -8.7634 -5.7492 -5.7492 -4.9833 -4.9833 -4.7737 -4.7737 -3.4879 -3.4879 0.2687 0.2687 0.4804 0.4804 1.5137 1.5137 1.8330 1.8330 1.9675 1.9675 2.5497 2.5497 3.9248 3.9248 4.2149 4.2149 8.1556 8.1556 8.5116 8.5116 9.8824 9.8824 9.9717 9.9717 k = 0.0000 0.0000 0.3672 ( 2872 PWs) bands (ev): -20.9528 -20.9528 -8.7597 -8.7597 -5.7504 -5.7504 -4.9855 -4.9855 -4.7738 -4.7738 -3.5040 -3.5040 0.2631 0.2631 0.4755 0.4755 1.5110 1.5110 1.8623 1.8623 1.9716 1.9716 2.5499 2.5499 3.9510 3.9510 4.2438 4.2438 8.1190 8.1190 8.4733 8.4733 9.8821 9.8821 9.9619 9.9619 k = 0.0000 0.0000 0.3803 ( 2872 PWs) bands (ev): -20.9528 -20.9528 -8.7569 -8.7569 -5.7513 -5.7513 -4.9871 -4.9871 -4.7739 -4.7739 -3.5154 -3.5154 0.2590 0.2590 0.4720 0.4720 1.5092 1.5092 1.8829 1.8829 1.9751 1.9751 2.5500 2.5500 3.9701 3.9701 4.2649 4.2649 8.0926 8.0926 8.4455 8.4455 9.8819 9.8819 9.9547 9.9547 k = 0.0000 0.0000 0.3934 ( 2864 PWs) bands (ev): -20.9528 -20.9528 -8.7553 -8.7553 -5.7519 -5.7519 -4.9880 -4.9880 -4.7740 -4.7740 -3.5223 -3.5223 0.2566 0.2566 0.4699 0.4699 1.5081 1.5081 1.8950 1.8950 1.9777 1.9777 2.5501 2.5501 3.9817 3.9817 4.2777 4.2777 8.0766 8.0766 8.4287 8.4287 9.8818 9.8818 9.9504 9.9504 k = 0.0000 0.0000 0.4066 ( 2852 PWs) bands (ev): -20.9528 -20.9528 -8.7547 -8.7547 -5.7520 -5.7520 -4.9884 -4.9884 -4.7740 -4.7740 -3.5246 -3.5246 0.2558 0.2558 0.4692 0.4692 1.5077 1.5077 1.8989 1.8989 1.9787 1.9787 2.5501 2.5501 3.9856 3.9856 4.2820 4.2820 8.0712 8.0712 8.4231 8.4231 9.8817 9.8817 9.9489 9.9489 k = 0.0000 0.0000 0.4066 ( 2852 PWs) bands (ev): -20.9528 -20.9528 -8.7547 -8.7547 -5.7520 -5.7520 -4.9884 -4.9884 -4.7740 -4.7740 -3.5246 -3.5246 0.2558 0.2558 0.4692 0.4692 1.5077 1.5077 1.8989 1.8989 1.9787 1.9787 2.5501 2.5501 3.9856 3.9856 4.2820 4.2820 8.0712 8.0712 8.4231 8.4231 9.8817 9.8817 9.9489 9.9489 k = 0.0000 0.0132 0.4066 ( 2856 PWs) bands (ev): -20.9527 -20.9527 -8.7550 -8.7550 -5.7518 -5.7518 -4.9881 -4.9881 -4.7737 -4.7737 -3.5249 -3.5249 0.2553 0.2553 0.4687 0.4687 1.5074 1.5074 1.8992 1.8992 1.9795 1.9795 2.5501 2.5501 3.9848 3.9848 4.2812 4.2812 8.0698 8.0698 8.4217 8.4217 9.8847 9.8847 9.9506 9.9506 k = 0.0000 0.0263 0.4066 ( 2864 PWs) bands (ev): -20.9526 -20.9526 -8.7560 -8.7560 -5.7511 -5.7511 -4.9872 -4.9872 -4.7730 -4.7730 -3.5255 -3.5255 0.2540 0.2540 0.4675 0.4675 1.5066 1.5066 1.9001 1.9001 1.9820 1.9820 2.5501 2.5501 3.9824 3.9824 4.2789 4.2789 8.0654 8.0654 8.4176 8.4176 9.8937 9.8937 9.9556 9.9556 k = 0.0000 0.0395 0.4066 ( 2874 PWs) bands (ev): -20.9525 -20.9525 -8.7577 -8.7577 -5.7499 -5.7499 -4.9858 -4.9858 -4.7719 -4.7719 -3.5267 -3.5267 0.2518 0.2518 0.4655 0.4655 1.5052 1.5052 1.9017 1.9017 1.9860 1.9860 2.5500 2.5500 3.9784 3.9784 4.2752 4.2752 8.0576 8.0576 8.4115 8.4115 9.9086 9.9086 9.9639 9.9639 k = 0.0000 0.0526 0.4066 ( 2874 PWs) bands (ev): -20.9522 -20.9522 -8.7599 -8.7599 -5.7482 -5.7482 -4.9838 -4.9838 -4.7702 -4.7702 -3.5282 -3.5282 0.2487 0.2487 0.4627 0.4627 1.5033 1.5033 1.9039 1.9039 1.9916 1.9916 2.5499 2.5499 3.9729 3.9729 4.2700 4.2700 8.0455 8.0455 8.4044 8.4044 9.9294 9.9294 9.9753 9.9753 k = 0.0000 0.0658 0.4066 ( 2874 PWs) bands (ev): -20.9519 -20.9519 -8.7628 -8.7628 -5.7461 -5.7461 -4.9812 -4.9812 -4.7681 -4.7681 -3.5302 -3.5302 0.2447 0.2447 0.4592 0.4592 1.5009 1.5009 1.9069 1.9069 1.9985 1.9985 2.5498 2.5498 3.9659 3.9659 4.2634 4.2634 8.0284 8.0284 8.3976 8.3976 9.9561 9.9561 9.9894 9.9894 k = 0.0000 0.0789 0.4066 ( 2874 PWs) bands (ev): -20.9516 -20.9516 -8.7663 -8.7663 -5.7436 -5.7436 -4.9781 -4.9781 -4.7656 -4.7656 -3.5326 -3.5326 0.2399 0.2399 0.4549 0.4549 1.4982 1.4982 1.9107 1.9107 2.0066 2.0066 2.5498 2.5498 3.9575 3.9575 4.2556 4.2556 8.0054 8.0054 8.3923 8.3923 9.9885 9.9885 10.0061 10.0061 k = 0.0000 0.0921 0.4066 ( 2866 PWs) bands (ev): -20.9511 -20.9511 -8.7703 -8.7703 -5.7406 -5.7406 -4.9745 -4.9745 -4.7627 -4.7627 -3.5354 -3.5354 0.2342 0.2342 0.4498 0.4498 1.4950 1.4950 1.9153 1.9153 2.0158 2.0158 2.5499 2.5499 3.9478 3.9478 4.2466 4.2466 7.9759 7.9759 8.3895 8.3895 10.0245 10.0245 10.0273 10.0273 k = 0.0000 0.1053 0.4066 ( 2872 PWs) bands (ev): -20.9507 -20.9507 -8.7749 -8.7749 -5.7372 -5.7372 -4.9704 -4.9704 -4.7593 -4.7593 -3.5386 -3.5386 0.2277 0.2277 0.4441 0.4441 1.4916 1.4916 1.9208 1.9208 2.0259 2.0259 2.5501 2.5501 3.9367 3.9367 4.2365 4.2365 7.9397 7.9397 8.3899 8.3899 10.0457 10.0457 10.0707 10.0707 k = 0.0000 0.1184 0.4066 ( 2876 PWs) bands (ev): -20.9501 -20.9501 -8.7800 -8.7800 -5.7334 -5.7334 -4.9658 -4.9658 -4.7556 -4.7556 -3.5422 -3.5422 0.2204 0.2204 0.4378 0.4378 1.4879 1.4879 1.9271 1.9271 2.0368 2.0368 2.5505 2.5505 3.9246 3.9246 4.2254 4.2254 7.8970 7.8970 8.3938 8.3938 10.0683 10.0683 10.1199 10.1199 k = 0.0000 0.1316 0.4066 ( 2888 PWs) bands (ev): -20.9496 -20.9496 -8.7856 -8.7856 -5.7293 -5.7293 -4.9607 -4.9607 -4.7515 -4.7515 -3.5462 -3.5462 0.2122 0.2122 0.4309 0.4309 1.4839 1.4839 1.9343 1.9343 2.0483 2.0483 2.5511 2.5511 3.9114 3.9114 4.2135 4.2135 7.8483 7.8483 8.4010 8.4010 10.0923 10.0923 10.1746 10.1746 k = 0.0000 0.1447 0.4066 ( 2878 PWs) bands (ev): -20.9489 -20.9489 -8.7916 -8.7916 -5.7248 -5.7248 -4.9553 -4.9553 -4.7470 -4.7470 -3.5505 -3.5505 0.2033 0.2033 0.4235 0.4235 1.4799 1.4799 1.9423 1.9423 2.0604 2.0604 2.5521 2.5521 3.8973 3.8973 4.2010 4.2010 7.7944 7.7944 8.4114 8.4114 10.1175 10.1175 10.2345 10.2345 k = 0.0000 0.1579 0.4066 ( 2878 PWs) bands (ev): -20.9483 -20.9483 -8.7979 -8.7979 -5.7200 -5.7200 -4.9494 -4.9494 -4.7422 -4.7422 -3.5551 -3.5551 0.1937 0.1937 0.4156 0.4156 1.4757 1.4757 1.9511 1.9511 2.0728 2.0728 2.5535 2.5535 3.8824 3.8824 4.1878 4.1878 7.7360 7.7360 8.4246 8.4246 10.1439 10.1439 10.2994 10.2994 k = 0.0000 0.1711 0.4066 ( 2886 PWs) bands (ev): -20.9476 -20.9476 -8.8046 -8.8046 -5.7150 -5.7150 -4.9432 -4.9432 -4.7372 -4.7372 -3.5600 -3.5600 0.1834 0.1834 0.4073 0.4073 1.4714 1.4714 1.9606 1.9606 2.0855 2.0855 2.5554 2.5554 3.8669 3.8669 4.1742 4.1742 7.6737 7.6737 8.4402 8.4402 10.1712 10.1712 10.3692 10.3692 k = 0.0000 0.1842 0.4066 ( 2884 PWs) bands (ev): -20.9468 -20.9468 -8.8116 -8.8116 -5.7097 -5.7097 -4.9366 -4.9366 -4.7319 -4.7319 -3.5652 -3.5652 0.1724 0.1724 0.3986 0.3986 1.4670 1.4670 1.9708 1.9708 2.0982 2.0982 2.5579 2.5579 3.8509 3.8509 4.1603 4.1603 7.6082 7.6082 8.4579 8.4579 10.1993 10.1993 10.4437 10.4437 k = 0.0000 0.1974 0.4066 ( 2888 PWs) bands (ev): -20.9461 -20.9461 -8.8189 -8.8189 -5.7042 -5.7042 -4.9298 -4.9298 -4.7263 -4.7263 -3.5707 -3.5707 0.1608 0.1608 0.3897 0.3897 1.4626 1.4626 1.9816 1.9816 2.1110 2.1110 2.5611 2.5611 3.8346 3.8346 4.1461 4.1461 7.5403 7.5403 8.4774 8.4774 10.2283 10.2283 10.5225 10.5225 k = 0.0000 0.2105 0.4066 ( 2884 PWs) bands (ev): -20.9453 -20.9453 -8.8263 -8.8263 -5.6985 -5.6985 -4.9227 -4.9227 -4.7206 -4.7206 -3.5763 -3.5763 0.1488 0.1488 0.3805 0.3805 1.4582 1.4582 1.9929 1.9929 2.1236 2.1236 2.5650 2.5650 3.8181 3.8181 4.1318 4.1318 7.4703 7.4703 8.4986 8.4986 10.2579 10.2579 10.6055 10.6055 k = 0.0000 0.2237 0.4066 ( 2874 PWs) bands (ev): -20.9445 -20.9445 -8.8339 -8.8339 -5.6927 -5.6927 -4.9154 -4.9154 -4.7147 -4.7147 -3.5822 -3.5822 0.1363 0.1363 0.3712 0.3712 1.4538 1.4538 2.0046 2.0046 2.1359 2.1359 2.5699 2.5699 3.8016 3.8016 4.1176 4.1176 7.3990 7.3990 8.5210 8.5210 10.2882 10.2882 10.6922 10.6922 k = 0.0000 0.2368 0.4066 ( 2874 PWs) bands (ev): -20.9436 -20.9436 -8.8415 -8.8415 -5.6868 -5.6868 -4.9080 -4.9080 -4.7088 -4.7088 -3.5882 -3.5882 0.1234 0.1234 0.3618 0.3618 1.4495 1.4495 2.0166 2.0166 2.1477 2.1477 2.5757 2.5757 3.7851 3.7851 4.1034 4.1034 7.3268 7.3268 8.5445 8.5445 10.3191 10.3191 10.7824 10.7824 k = 0.0000 0.2500 0.4066 ( 2870 PWs) bands (ev): -20.9428 -20.9428 -8.8492 -8.8492 -5.6808 -5.6808 -4.9005 -4.9005 -4.7027 -4.7027 -3.5943 -3.5943 0.1102 0.1102 0.3524 0.3524 1.4452 1.4452 2.0288 2.0288 2.1589 2.1589 2.5825 2.5825 3.7690 3.7690 4.0894 4.0894 7.2541 7.2541 8.5688 8.5688 10.3506 10.3506 10.8754 10.8754 k = 0.0000 0.2632 0.4066 ( 2870 PWs) bands (ev): -20.9420 -20.9420 -8.8569 -8.8569 -5.6748 -5.6748 -4.8929 -4.8929 -4.6966 -4.6966 -3.6005 -3.6005 0.0969 0.0969 0.3431 0.3431 1.4409 1.4409 2.0411 2.0411 2.1694 2.1694 2.5904 2.5904 3.7532 3.7532 4.0757 4.0757 7.1814 7.1814 8.5938 8.5938 10.3827 10.3827 10.9709 10.9709 k = 0.0000 0.2763 0.4066 ( 2870 PWs) bands (ev): -20.9412 -20.9412 -8.8645 -8.8645 -5.6689 -5.6689 -4.8853 -4.8853 -4.6905 -4.6905 -3.6067 -3.6067 0.0835 0.0835 0.3339 0.3339 1.4368 1.4368 2.0534 2.0534 2.1791 2.1791 2.5993 2.5993 3.7380 3.7380 4.0623 4.0623 7.1092 7.1092 8.6191 8.6191 10.4153 10.4153 11.0680 11.0680 k = 0.0000 0.2895 0.4066 ( 2876 PWs) bands (ev): -20.9404 -20.9404 -8.8720 -8.8720 -5.6630 -5.6630 -4.8778 -4.8778 -4.6844 -4.6844 -3.6129 -3.6129 0.0701 0.0701 0.3248 0.3248 1.4328 1.4328 2.0657 2.0657 2.1879 2.1879 2.6093 2.6093 3.7235 3.7235 4.0494 4.0494 7.0379 7.0379 8.6447 8.6447 10.4485 10.4485 11.1659 11.1659 k = 0.0000 0.3026 0.4066 ( 2860 PWs) bands (ev): -20.9396 -20.9396 -8.8793 -8.8793 -5.6572 -5.6572 -4.8703 -4.8703 -4.6785 -4.6785 -3.6190 -3.6190 0.0569 0.0569 0.3160 0.3160 1.4289 1.4289 2.0778 2.0778 2.1957 2.1957 2.6202 2.6202 3.7099 3.7099 4.0369 4.0369 6.9679 6.9679 8.6702 8.6702 10.4821 10.4821 11.2637 11.2637 k = 0.0000 0.3158 0.4066 ( 2858 PWs) bands (ev): -20.9388 -20.9388 -8.8864 -8.8864 -5.6516 -5.6516 -4.8630 -4.8630 -4.6727 -4.6727 -3.6251 -3.6251 0.0439 0.0439 0.3074 0.3074 1.4251 1.4251 2.0896 2.0896 2.2025 2.2025 2.6319 2.6319 3.6971 3.6971 4.0250 4.0250 6.8996 6.8996 8.6955 8.6955 10.5162 10.5162 11.3601 11.3601 k = 0.0000 0.3289 0.4066 ( 2858 PWs) bands (ev): -20.9381 -20.9381 -8.8932 -8.8932 -5.6461 -5.6461 -4.8559 -4.8559 -4.6670 -4.6670 -3.6310 -3.6310 0.0312 0.0312 0.2992 0.2992 1.4215 1.4215 2.1011 2.1011 2.2082 2.2082 2.6442 2.6442 3.6853 3.6853 4.0138 4.0138 6.8335 6.8335 8.7203 8.7203 10.5507 10.5507 11.4536 11.4536 k = 0.0000 0.3421 0.4066 ( 2854 PWs) bands (ev): -20.9374 -20.9374 -8.8997 -8.8997 -5.6409 -5.6409 -4.8491 -4.8491 -4.6616 -4.6616 -3.6367 -3.6367 0.0190 0.0190 0.2914 0.2914 1.4181 1.4181 2.1122 2.1122 2.2130 2.2130 2.6569 2.6569 3.6746 3.6746 4.0031 4.0031 6.7699 6.7699 8.7445 8.7445 10.5855 10.5855 11.5427 11.5427 k = 0.0000 0.3553 0.4066 ( 2858 PWs) bands (ev): -20.9367 -20.9367 -8.9059 -8.9059 -5.6359 -5.6359 -4.8426 -4.8426 -4.6564 -4.6564 -3.6422 -3.6422 0.0073 0.0073 0.2840 0.2840 1.4149 1.4149 2.1229 2.1229 2.2169 2.2169 2.6699 2.6699 3.6650 3.6650 3.9932 3.9932 6.7094 6.7094 8.7678 8.7678 10.6205 10.6205 11.6260 11.6260 k = 0.0000 0.3684 0.4066 ( 2864 PWs) bands (ev): -20.9361 -20.9361 -8.9117 -8.9117 -5.6312 -5.6312 -4.8364 -4.8364 -4.6516 -4.6516 -3.6474 -3.6474 -0.0037 -0.0037 0.2771 0.2771 1.4119 1.4119 2.1332 2.1332 2.2198 2.2198 2.6828 2.6828 3.6565 3.6565 3.9840 3.9840 6.6522 6.6522 8.7899 8.7899 10.6555 10.6555 11.7021 11.7021 k = 0.0000 0.3816 0.4066 ( 2868 PWs) bands (ev): -20.9355 -20.9355 -8.9170 -8.9170 -5.6269 -5.6269 -4.8307 -4.8307 -4.6470 -4.6470 -3.6522 -3.6522 -0.0140 -0.0140 0.2707 0.2707 1.4091 1.4091 2.1428 2.1428 2.2218 2.2218 2.6954 2.6954 3.6491 3.6491 3.9756 3.9756 6.5989 6.5989 8.8107 8.8107 10.6904 10.6904 11.7702 11.7702 k = 0.0000 0.3947 0.4066 ( 2872 PWs) bands (ev): -20.9349 -20.9349 -8.9219 -8.9219 -5.6229 -5.6229 -4.8254 -4.8254 -4.6429 -4.6429 -3.6567 -3.6567 -0.0235 -0.0235 0.2648 0.2648 1.4066 1.4066 2.1520 2.1520 2.2231 2.2231 2.7073 2.7073 3.6429 3.6429 3.9680 3.9680 6.5499 6.5499 8.8300 8.8300 10.7248 10.7248 11.8282 11.8282 k = 0.0000 0.4079 0.4066 ( 2876 PWs) bands (ev): -20.9345 -20.9345 -8.9263 -8.9263 -5.6194 -5.6194 -4.8206 -4.8206 -4.6391 -4.6391 -3.6608 -3.6608 -0.0320 -0.0320 0.2596 0.2596 1.4043 1.4043 2.1606 2.1606 2.2236 2.2236 2.7185 2.7185 3.6377 3.6377 3.9613 3.9613 6.5054 6.5054 8.8476 8.8476 10.7583 10.7583 11.8043 11.8043 k = 0.0000 0.4211 0.4066 ( 2864 PWs) bands (ev): -20.9340 -20.9340 -8.9301 -8.9301 -5.6162 -5.6162 -4.8164 -4.8164 -4.6358 -4.6358 -3.6644 -3.6644 -0.0396 -0.0396 0.2550 0.2550 1.4023 1.4023 2.1685 2.1685 2.2234 2.2234 2.7286 2.7286 3.6335 3.6335 3.9554 3.9554 6.4661 6.4661 8.8633 8.8633 10.7905 10.7905 11.7542 11.7542 k = 0.0000 0.4342 0.4066 ( 2860 PWs) bands (ev): -20.9337 -20.9337 -8.9334 -8.9334 -5.6135 -5.6135 -4.8127 -4.8127 -4.6329 -4.6329 -3.6675 -3.6675 -0.0461 -0.0461 0.2510 0.2510 1.4006 1.4006 2.1758 2.1758 2.2227 2.2227 2.7375 2.7375 3.6302 3.6302 3.9504 3.9504 6.4320 6.4320 8.8768 8.8768 10.8206 10.8206 11.7084 11.7084 k = 0.0000 0.4474 0.4066 ( 2864 PWs) bands (ev): -20.9334 -20.9334 -8.9361 -8.9361 -5.6112 -5.6112 -4.8097 -4.8097 -4.6306 -4.6306 -3.6701 -3.6701 -0.0515 -0.0515 0.2477 0.2477 1.3992 1.3992 2.1825 2.1825 2.2214 2.2214 2.7450 2.7450 3.6277 3.6277 3.9463 3.9463 6.4037 6.4037 8.8881 8.8881 10.8477 10.8477 11.6684 11.6684 k = 0.0000 0.4605 0.4066 ( 2862 PWs) bands (ev): -20.9331 -20.9331 -8.9383 -8.9383 -5.6095 -5.6095 -4.8073 -4.8073 -4.6287 -4.6287 -3.6721 -3.6721 -0.0557 -0.0557 0.2452 0.2452 1.3981 1.3981 2.1883 2.1883 2.2196 2.2196 2.7510 2.7510 3.6259 3.6259 3.9430 3.9430 6.3814 6.3814 8.8971 8.8971 10.8708 10.8708 11.6352 11.6352 k = 0.0000 0.4737 0.4066 ( 2858 PWs) bands (ev): -20.9330 -20.9330 -8.9398 -8.9398 -5.6082 -5.6082 -4.8056 -4.8056 -4.6274 -4.6274 -3.6736 -3.6736 -0.0588 -0.0588 0.2433 0.2433 1.3973 1.3973 2.1932 2.1932 2.2177 2.2177 2.7553 2.7553 3.6247 3.6247 3.9407 3.9407 6.3653 6.3653 8.9035 8.9035 10.8885 10.8885 11.6102 11.6102 k = 0.0000 0.4868 0.4066 ( 2864 PWs) bands (ev): -20.9329 -20.9329 -8.9407 -8.9407 -5.6074 -5.6074 -4.8045 -4.8045 -4.6266 -4.6266 -3.6745 -3.6745 -0.0607 -0.0607 0.2422 0.2422 1.3969 1.3969 2.1966 2.1966 2.2160 2.2160 2.7580 2.7580 3.6239 3.6239 3.9393 3.9393 6.3555 6.3555 8.9075 8.9075 10.8998 10.8998 11.5946 11.5946 k = 0.0000 0.5000 0.4066 ( 2860 PWs) bands (ev): -20.9328 -20.9328 -8.9410 -8.9410 -5.6072 -5.6072 -4.8042 -4.8042 -4.6263 -4.6263 -3.6748 -3.6748 -0.0613 -0.0613 0.2418 0.2418 1.3967 1.3967 2.1980 2.1980 2.2152 2.2152 2.7588 2.7588 3.6237 3.6237 3.9389 3.9389 6.3523 6.3523 8.9088 8.9088 10.9037 10.9037 11.5893 11.5893 k = 0.0000 0.5000 0.4066 ( 2860 PWs) bands (ev): -20.9328 -20.9328 -8.9410 -8.9410 -5.6072 -5.6072 -4.8042 -4.8042 -4.6263 -4.6263 -3.6748 -3.6748 -0.0613 -0.0613 0.2418 0.2418 1.3967 1.3967 2.1980 2.1980 2.2152 2.2152 2.7588 2.7588 3.6237 3.6237 3.9389 3.9389 6.3523 6.3523 8.9088 8.9088 10.9037 10.9037 11.5893 11.5893 k = 0.0132 0.5000 0.4066 ( 2868 PWs) bands (ev): -20.9328 -20.9328 -8.9407 -8.9407 -5.6075 -5.6075 -4.8046 -4.8046 -4.6272 -4.6272 -3.6747 -3.6747 -0.0606 -0.0606 0.2421 0.2421 1.3970 1.3970 2.1987 2.1987 2.2153 2.2153 2.7589 2.7589 3.6243 3.6243 3.9393 3.9393 6.3521 6.3521 8.9021 8.9021 10.9060 10.9060 11.5882 11.5882 k = 0.0263 0.5000 0.4066 ( 2864 PWs) bands (ev): -20.9327 -20.9327 -8.9397 -8.9397 -5.6085 -5.6085 -4.8058 -4.8058 -4.6299 -4.6299 -3.6744 -3.6744 -0.0585 -0.0585 0.2431 0.2431 1.3980 1.3980 2.2008 2.2008 2.2155 2.2155 2.7590 2.7590 3.6262 3.6262 3.9405 3.9405 6.3514 6.3514 8.8824 8.8824 10.9130 10.9130 11.5851 11.5851 k = 0.0395 0.5000 0.4066 ( 2864 PWs) bands (ev): -20.9326 -20.9326 -8.9381 -8.9381 -5.6102 -5.6102 -4.8078 -4.8078 -4.6344 -4.6344 -3.6738 -3.6738 -0.0550 -0.0550 0.2447 0.2447 1.3995 1.3995 2.2042 2.2042 2.2160 2.2160 2.7592 2.7592 3.6294 3.6294 3.9424 3.9424 6.3503 6.3503 8.8501 8.8501 10.9242 10.9242 11.5801 11.5801 k = 0.0526 0.5000 0.4066 ( 2872 PWs) bands (ev): -20.9324 -20.9324 -8.9358 -8.9358 -5.6125 -5.6125 -4.8105 -4.8105 -4.6406 -4.6406 -3.6731 -3.6731 -0.0502 -0.0502 0.2468 0.2468 1.4017 1.4017 2.2081 2.2081 2.2175 2.2175 2.7596 2.7596 3.6337 3.6337 3.9451 3.9451 6.3488 6.3488 8.8062 8.8062 10.9391 10.9391 11.5735 11.5735 k = 0.0658 0.5000 0.4066 ( 2872 PWs) bands (ev): -20.9321 -20.9321 -8.9328 -8.9328 -5.6155 -5.6155 -4.8140 -4.8140 -4.6485 -4.6485 -3.6721 -3.6721 -0.0442 -0.0442 0.2496 0.2496 1.4044 1.4044 2.2109 2.2109 2.2218 2.2218 2.7600 2.7600 3.6393 3.6393 3.9486 3.9486 6.3469 6.3469 8.7517 8.7517 10.9570 10.9570 11.5656 11.5656 k = 0.0789 0.5000 0.4066 ( 2872 PWs) bands (ev): -20.9318 -20.9318 -8.9293 -8.9293 -5.6192 -5.6192 -4.8181 -4.8181 -4.6580 -4.6580 -3.6709 -3.6709 -0.0369 -0.0369 0.2529 0.2529 1.4077 1.4077 2.2120 2.2120 2.2293 2.2293 2.7606 2.7606 3.6461 3.6461 3.9529 3.9529 6.3445 6.3445 8.6878 8.6878 10.9773 10.9773 11.5568 11.5568 k = 0.0921 0.5000 0.4066 ( 2872 PWs) bands (ev): -20.9314 -20.9314 -8.9251 -8.9251 -5.6236 -5.6236 -4.8228 -4.8228 -4.6690 -4.6690 -3.6696 -3.6696 -0.0286 -0.0286 0.2568 0.2568 1.4115 1.4115 2.2124 2.2124 2.2390 2.2390 2.7612 2.7612 3.6541 3.6541 3.9578 3.9578 6.3416 6.3416 8.6157 8.6157 10.9994 10.9994 11.5475 11.5475 k = 0.1053 0.5000 0.4066 ( 2872 PWs) bands (ev): -20.9310 -20.9310 -8.9204 -8.9204 -5.6286 -5.6286 -4.8281 -4.8281 -4.6816 -4.6816 -3.6680 -3.6680 -0.0192 -0.0192 0.2611 0.2611 1.4157 1.4157 2.2125 2.2125 2.2507 2.2507 2.7620 2.7620 3.6632 3.6632 3.9634 3.9634 6.3382 6.3382 8.5365 8.5365 11.0228 11.0228 11.5381 11.5381 k = 0.1184 0.5000 0.4066 ( 2880 PWs) bands (ev): -20.9306 -20.9306 -8.9151 -8.9151 -5.6342 -5.6342 -4.8338 -4.8338 -4.6954 -4.6954 -3.6663 -3.6663 -0.0090 -0.0090 0.2660 0.2660 1.4203 1.4203 2.2125 2.2125 2.2639 2.2639 2.7630 2.7630 3.6733 3.6733 3.9697 3.9697 6.3344 6.3344 8.4514 8.4514 11.0471 11.0471 11.5291 11.5291 k = 0.1316 0.5000 0.4066 ( 2880 PWs) bands (ev): -20.9301 -20.9301 -8.9093 -8.9093 -5.6406 -5.6406 -4.8399 -4.8399 -4.7105 -4.7105 -3.6645 -3.6645 0.0021 0.0021 0.2712 0.2712 1.4252 1.4252 2.2125 2.2125 2.2788 2.2788 2.7641 2.7641 3.6845 3.6845 3.9766 3.9766 6.3301 6.3301 8.3614 8.3614 11.0720 11.0720 11.5210 11.5210 k = 0.1447 0.5000 0.4066 ( 2880 PWs) bands (ev): -20.9295 -20.9295 -8.9030 -8.9030 -5.6475 -5.6475 -4.8463 -4.8463 -4.7267 -4.7267 -3.6625 -3.6625 0.0139 0.0139 0.2769 0.2769 1.4304 1.4304 2.2124 2.2124 2.2952 2.2952 2.7655 2.7655 3.6967 3.6967 3.9841 3.9841 6.3253 6.3253 8.2674 8.2674 11.0974 11.0974 11.5140 11.5140 k = 0.1579 0.5000 0.4066 ( 2876 PWs) bands (ev): -20.9290 -20.9290 -8.8962 -8.8962 -5.6551 -5.6551 -4.8530 -4.8530 -4.7439 -4.7439 -3.6603 -3.6603 0.0262 0.0262 0.2829 0.2829 1.4359 1.4359 2.2123 2.2123 2.3130 2.3130 2.7670 2.7670 3.7098 3.7098 3.9922 3.9922 6.3201 6.3201 8.1702 8.1702 11.1230 11.1230 11.5085 11.5085 k = 0.1711 0.5000 0.4066 ( 2872 PWs) bands (ev): -20.9284 -20.9284 -8.8890 -8.8890 -5.6633 -5.6633 -4.8598 -4.8598 -4.7620 -4.7620 -3.6581 -3.6581 0.0389 0.0389 0.2893 0.2893 1.4415 1.4415 2.2123 2.2123 2.3322 2.3322 2.7689 2.7689 3.7238 3.7238 4.0008 4.0008 6.3143 6.3143 8.0706 8.0706 11.1490 11.1490 11.5049 11.5049 k = 0.1842 0.5000 0.4066 ( 2880 PWs) bands (ev): -20.9277 -20.9277 -8.8815 -8.8815 -5.6720 -5.6720 -4.8667 -4.8667 -4.7808 -4.7808 -3.6557 -3.6557 0.0519 0.0519 0.2958 0.2958 1.4472 1.4472 2.2123 2.2123 2.3527 2.3527 2.7711 2.7711 3.7385 3.7385 4.0098 4.0098 6.3080 6.3080 7.9693 7.9693 11.1752 11.1752 11.5035 11.5035 k = 0.1974 0.5000 0.4066 ( 2876 PWs) bands (ev): -20.9271 -20.9271 -8.8735 -8.8735 -5.6812 -5.6812 -4.8737 -4.8737 -4.8001 -4.8001 -3.6532 -3.6532 0.0652 0.0652 0.3027 0.3027 1.4530 1.4530 2.2123 2.2123 2.3744 2.3744 2.7737 2.7737 3.7539 3.7539 4.0193 4.0193 6.3013 6.3013 7.8668 7.8668 11.2016 11.2016 11.5044 11.5044 k = 0.2105 0.5000 0.4066 ( 2868 PWs) bands (ev): -20.9264 -20.9264 -8.8653 -8.8653 -5.6910 -5.6910 -4.8807 -4.8807 -4.8198 -4.8198 -3.6507 -3.6507 0.0785 0.0785 0.3097 0.3097 1.4588 1.4588 2.2123 2.2123 2.3971 2.3971 2.7768 2.7768 3.7700 3.7700 4.0291 4.0291 6.2941 6.2941 7.7639 7.7639 11.2285 11.2285 11.5080 11.5080 k = 0.2237 0.5000 0.4066 ( 2876 PWs) bands (ev): -20.9257 -20.9257 -8.8569 -8.8569 -5.7011 -5.7011 -4.8877 -4.8877 -4.8396 -4.8396 -3.6482 -3.6482 0.0917 0.0917 0.3168 0.3168 1.4645 1.4645 2.2123 2.2123 2.4205 2.4205 2.7804 2.7804 3.7866 3.7866 4.0392 4.0392 6.2864 6.2864 7.6609 7.6609 11.2556 11.2556 11.5143 11.5143 k = 0.2368 0.5000 0.4066 ( 2880 PWs) bands (ev): -20.9250 -20.9250 -8.8482 -8.8482 -5.7116 -5.7116 -4.8949 -4.8949 -4.8593 -4.8593 -3.6456 -3.6456 0.1048 0.1048 0.3240 0.3240 1.4702 1.4702 2.2124 2.2124 2.4446 2.4446 2.7848 2.7848 3.8036 3.8036 4.0496 4.0496 6.2783 6.2783 7.5585 7.5585 11.2833 11.2833 11.5235 11.5235 k = 0.2500 0.5000 0.4066 ( 2876 PWs) bands (ev): -20.9243 -20.9243 -8.8394 -8.8394 -5.7224 -5.7224 -4.9028 -4.9028 -4.8780 -4.8780 -3.6429 -3.6429 0.1177 0.1177 0.3312 0.3312 1.4758 1.4758 2.2126 2.2126 2.4690 2.4690 2.7901 2.7901 3.8209 3.8209 4.0602 4.0602 6.2696 6.2696 7.4571 7.4571 11.3115 11.3115 11.5358 11.5358 k = 0.2632 0.5000 0.4066 ( 2884 PWs) bands (ev): -20.9236 -20.9236 -8.8306 -8.8306 -5.7334 -5.7334 -4.9132 -4.9132 -4.8939 -4.8939 -3.6403 -3.6403 0.1302 0.1302 0.3384 0.3384 1.4811 1.4811 2.2128 2.2128 2.4933 2.4933 2.7965 2.7965 3.8384 3.8384 4.0708 4.0708 6.2606 6.2606 7.3571 7.3571 11.3402 11.3402 11.5511 11.5511 k = 0.2763 0.5000 0.4066 ( 2876 PWs) bands (ev): -20.9229 -20.9229 -8.8217 -8.8217 -5.7446 -5.7446 -4.9283 -4.9283 -4.9046 -4.9046 -3.6377 -3.6377 0.1423 0.1423 0.3456 0.3456 1.4863 1.4863 2.2130 2.2130 2.5171 2.5171 2.8041 2.8041 3.8560 3.8560 4.0816 4.0816 6.2510 6.2510 7.2591 7.2591 11.3695 11.3695 11.5696 11.5696 k = 0.2895 0.5000 0.4066 ( 2872 PWs) bands (ev): -20.9222 -20.9222 -8.8129 -8.8129 -5.7558 -5.7558 -4.9461 -4.9461 -4.9119 -4.9119 -3.6352 -3.6352 0.1539 0.1539 0.3526 0.3526 1.4913 1.4913 2.2133 2.2133 2.5401 2.5401 2.8134 2.8134 3.8736 3.8736 4.0923 4.0923 6.2410 6.2410 7.1636 7.1636 11.3994 11.3994 11.5911 11.5911 k = 0.3026 0.5000 0.4066 ( 2872 PWs) bands (ev): -20.9215 -20.9215 -8.8042 -8.8042 -5.7669 -5.7669 -4.9646 -4.9646 -4.9177 -4.9177 -3.6327 -3.6327 0.1650 0.1650 0.3595 0.3595 1.4961 1.4961 2.2135 2.2135 2.5618 2.5618 2.8244 2.8244 3.8911 3.8911 4.1030 4.1030 6.2305 6.2305 7.0711 7.0711 11.4300 11.4300 11.6158 11.6158 k = 0.3158 0.5000 0.4066 ( 2876 PWs) bands (ev): -20.9209 -20.9209 -8.7956 -8.7956 -5.7780 -5.7780 -4.9828 -4.9828 -4.9227 -4.9227 -3.6302 -3.6302 0.1755 0.1755 0.3662 0.3662 1.5006 1.5006 2.2138 2.2138 2.5817 2.5817 2.8373 2.8373 3.9083 3.9083 4.1134 4.1134 6.2193 6.2193 6.9820 6.9820 11.4611 11.4611 11.6434 11.6434 k = 0.3289 0.5000 0.4066 ( 2868 PWs) bands (ev): -20.9202 -20.9202 -8.7873 -8.7873 -5.7888 -5.7888 -5.0005 -5.0005 -4.9272 -4.9272 -3.6279 -3.6279 0.1854 0.1854 0.3727 0.3727 1.5048 1.5048 2.2141 2.2141 2.5996 2.5996 2.8523 2.8523 3.9252 3.9252 4.1237 4.1237 6.2076 6.2076 6.8971 6.8971 11.4929 11.4929 11.6740 11.6740 k = 0.3421 0.5000 0.4066 ( 2868 PWs) bands (ev): -20.9196 -20.9196 -8.7793 -8.7793 -5.7992 -5.7992 -5.0175 -5.0175 -4.9313 -4.9313 -3.6256 -3.6256 0.1945 0.1945 0.3789 0.3789 1.5087 1.5087 2.2144 2.2144 2.6151 2.6151 2.8692 2.8692 3.9416 3.9416 4.1336 4.1336 6.1951 6.1951 6.8168 6.8168 11.5251 11.5251 11.7074 11.7074 k = 0.3553 0.5000 0.4066 ( 2856 PWs) bands (ev): -20.9191 -20.9191 -8.7716 -8.7716 -5.8093 -5.8093 -5.0335 -5.0335 -4.9349 -4.9349 -3.6235 -3.6235 0.2030 0.2030 0.3848 0.3848 1.5124 1.5124 2.2148 2.2148 2.6284 2.6284 2.8878 2.8878 3.9575 3.9575 4.1432 4.1432 6.1817 6.1817 6.7419 6.7419 11.5577 11.5577 11.7434 11.7434 k = 0.3684 0.5000 0.4066 ( 2856 PWs) bands (ev): -20.9185 -20.9185 -8.7644 -8.7644 -5.8188 -5.8188 -5.0485 -5.0485 -4.9382 -4.9382 -3.6215 -3.6215 0.2108 0.2108 0.3903 0.3903 1.5157 1.5157 2.2151 2.2151 2.6395 2.6395 2.9075 2.9075 3.9726 3.9726 4.1523 4.1523 6.1672 6.1672 6.6730 6.6730 11.5906 11.5906 11.7818 11.7818 k = 0.3816 0.5000 0.4066 ( 2856 PWs) bands (ev): -20.9180 -20.9180 -8.7576 -8.7576 -5.8277 -5.8277 -5.0624 -5.0624 -4.9410 -4.9410 -3.6197 -3.6197 0.2178 0.2178 0.3954 0.3954 1.5187 1.5187 2.2154 2.2154 2.6487 2.6487 2.9278 2.9278 3.9868 3.9868 4.1608 4.1608 6.1517 6.1517 6.6107 6.6107 11.6235 11.6235 11.8223 11.8223 k = 0.3947 0.5000 0.4066 ( 2860 PWs) bands (ev): -20.9176 -20.9176 -8.7514 -8.7514 -5.8360 -5.8360 -5.0751 -5.0751 -4.9436 -4.9436 -3.6180 -3.6180 0.2241 0.2241 0.4000 0.4000 1.5215 1.5215 2.2157 2.2157 2.6561 2.6561 2.9481 2.9481 4.0001 4.0001 4.1687 4.1687 6.1350 6.1350 6.5557 6.5557 11.6561 11.6561 11.8644 11.8644 k = 0.4079 0.5000 0.4066 ( 2856 PWs) bands (ev): -20.9172 -20.9172 -8.7458 -8.7458 -5.8435 -5.8435 -5.0865 -5.0865 -4.9458 -4.9458 -3.6165 -3.6165 0.2297 0.2297 0.4042 0.4042 1.5239 1.5239 2.2160 2.2160 2.6621 2.6621 2.9677 2.9677 4.0123 4.0123 4.1759 4.1759 6.1174 6.1174 6.5083 6.5083 11.6880 11.6880 11.9078 11.9078 k = 0.4211 0.5000 0.4066 ( 2848 PWs) bands (ev): -20.9168 -20.9168 -8.7408 -8.7408 -5.8501 -5.8501 -5.0965 -5.0965 -4.9477 -4.9477 -3.6152 -3.6152 0.2345 0.2345 0.4079 0.4079 1.5260 1.5260 2.2163 2.2163 2.6669 2.6669 2.9860 2.9860 4.0233 4.0233 4.1823 4.1823 6.0992 6.0992 6.4688 6.4688 11.7186 11.7186 11.9517 11.9517 k = 0.4342 0.5000 0.4066 ( 2852 PWs) bands (ev): -20.9165 -20.9165 -8.7365 -8.7365 -5.8558 -5.8558 -5.1051 -5.1051 -4.9493 -4.9493 -3.6140 -3.6140 0.2385 0.2385 0.4111 0.4111 1.5277 1.5277 2.2165 2.2165 2.6707 2.6707 3.0026 3.0026 4.0329 4.0329 4.1878 4.1878 6.0812 6.0812 6.4367 6.4367 11.7472 11.7472 11.9952 11.9952 k = 0.4474 0.5000 0.4066 ( 2848 PWs) bands (ev): -20.9162 -20.9162 -8.7329 -8.7329 -5.8606 -5.8606 -5.1122 -5.1122 -4.9505 -4.9505 -3.6131 -3.6131 0.2419 0.2419 0.4137 0.4137 1.5292 1.5292 2.2167 2.2167 2.6736 2.6736 3.0168 3.0168 4.0410 4.0410 4.1925 4.1925 6.0644 6.0644 6.4118 6.4118 11.7730 11.7730 12.0371 12.0371 k = 0.4605 0.5000 0.4066 ( 2848 PWs) bands (ev): -20.9160 -20.9160 -8.7301 -8.7301 -5.8644 -5.8644 -5.1178 -5.1178 -4.9515 -4.9515 -3.6123 -3.6123 0.2444 0.2444 0.4158 0.4158 1.5303 1.5303 2.2169 2.2169 2.6757 2.6757 3.0283 3.0283 4.0474 4.0474 4.1961 4.1961 6.0499 6.0499 6.3934 6.3934 11.7948 11.7948 12.0752 12.0752 k = 0.4737 0.5000 0.4066 ( 2840 PWs) bands (ev): -20.9159 -20.9159 -8.7281 -8.7281 -5.8671 -5.8671 -5.1217 -5.1217 -4.9522 -4.9522 -3.6118 -3.6118 0.2463 0.2463 0.4172 0.4172 1.5311 1.5311 2.2170 2.2170 2.6772 2.6772 3.0367 3.0367 4.0521 4.0521 4.1987 4.1987 6.0387 6.0387 6.3808 6.3808 11.8116 11.8116 12.1069 12.1069 k = 0.4868 0.5000 0.4066 ( 2836 PWs) bands (ev): -20.9158 -20.9158 -8.7268 -8.7268 -5.8687 -5.8687 -5.1242 -5.1242 -4.9526 -4.9526 -3.6115 -3.6115 0.2474 0.2474 0.4181 0.4181 1.5316 1.5316 2.2171 2.2171 2.6781 2.6781 3.0419 3.0419 4.0550 4.0550 4.2003 4.2003 6.0316 6.0316 6.3734 6.3734 11.8221 11.8221 12.1285 12.1285 k = 0.5000 0.5000 0.4066 ( 2832 PWs) bands (ev): -20.9158 -20.9158 -8.7264 -8.7264 -5.8693 -5.8693 -5.1250 -5.1250 -4.9528 -4.9528 -3.6114 -3.6114 0.2477 0.2477 0.4184 0.4184 1.5318 1.5318 2.2171 2.2171 2.6784 2.6784 3.0436 3.0436 4.0560 4.0560 4.2009 4.2009 6.0292 6.0292 6.3710 6.3710 11.8258 11.8258 12.1362 12.1362 k = 0.5000 0.5000 0.4066 ( 2832 PWs) bands (ev): -20.9158 -20.9158 -8.7264 -8.7264 -5.8693 -5.8693 -5.1250 -5.1250 -4.9528 -4.9528 -3.6114 -3.6114 0.2477 0.2477 0.4184 0.4184 1.5318 1.5318 2.2171 2.2171 2.6784 2.6784 3.0436 3.0436 4.0560 4.0560 4.2009 4.2009 6.0292 6.0292 6.3710 6.3710 11.8258 11.8258 12.1362 12.1362 k = 0.4906 0.4906 0.4066 ( 2840 PWs) bands (ev): -20.9158 -20.9158 -8.7268 -8.7268 -5.8687 -5.8687 -5.1241 -5.1241 -4.9526 -4.9526 -3.6115 -3.6115 0.2474 0.2474 0.4181 0.4181 1.5316 1.5316 2.2171 2.2171 2.6781 2.6781 3.0418 3.0418 4.0550 4.0550 4.2003 4.2003 6.0317 6.0317 6.3735 6.3735 11.8220 11.8220 12.1285 12.1285 k = 0.4811 0.4811 0.4066 ( 2844 PWs) bands (ev): -20.9159 -20.9159 -8.7281 -8.7281 -5.8670 -5.8670 -5.1217 -5.1217 -4.9522 -4.9522 -3.6118 -3.6118 0.2462 0.2462 0.4172 0.4172 1.5311 1.5311 2.2170 2.2170 2.6772 2.6772 3.0365 3.0365 4.0520 4.0520 4.1987 4.1987 6.0391 6.0391 6.3809 6.3809 11.8101 11.8101 12.1089 12.1089 k = 0.4717 0.4717 0.4066 ( 2844 PWs) bands (ev): -20.9160 -20.9160 -8.7302 -8.7302 -5.8643 -5.8643 -5.1176 -5.1176 -4.9515 -4.9515 -3.6123 -3.6123 0.2443 0.2443 0.4157 0.4157 1.5303 1.5303 2.2169 2.2169 2.6758 2.6758 3.0277 3.0277 4.0471 4.0471 4.1962 4.1962 6.0514 6.0514 6.3933 6.3933 11.7889 11.7889 12.0854 12.0854 k = 0.4623 0.4623 0.4066 ( 2844 PWs) bands (ev): -20.9162 -20.9162 -8.7330 -8.7330 -5.8605 -5.8605 -5.1119 -5.1119 -4.9504 -4.9504 -3.6131 -3.6131 0.2416 0.2416 0.4138 0.4138 1.5292 1.5292 2.2167 2.2167 2.6738 2.6738 3.0155 3.0155 4.0402 4.0402 4.1928 4.1928 6.0681 6.0681 6.4106 6.4106 11.7577 11.7577 12.0647 12.0647 k = 0.4528 0.4528 0.4066 ( 2856 PWs) bands (ev): -20.9165 -20.9165 -8.7366 -8.7366 -5.8557 -5.8557 -5.1048 -5.1048 -4.9490 -4.9490 -3.6140 -3.6140 0.2380 0.2380 0.4113 0.4113 1.5277 1.5277 2.2164 2.2164 2.6713 2.6713 3.0001 3.0001 4.0313 4.0313 4.1888 4.1888 6.0891 6.0891 6.4328 6.4328 11.7172 11.7172 12.0501 12.0501 k = 0.4434 0.4434 0.4066 ( 2852 PWs) bands (ev): -20.9168 -20.9168 -8.7409 -8.7409 -5.8501 -5.8501 -5.0962 -5.0962 -4.9472 -4.9472 -3.6151 -3.6151 0.2337 0.2337 0.4085 0.4085 1.5260 1.5260 2.2161 2.2161 2.6683 2.6683 2.9817 2.9817 4.0205 4.0205 4.1843 4.1843 6.1140 6.1140 6.4601 6.4601 11.6693 11.6693 12.0421 12.0421 k = 0.4340 0.4340 0.4066 ( 2856 PWs) bands (ev): -20.9172 -20.9172 -8.7457 -8.7457 -5.8437 -5.8437 -5.0865 -5.0865 -4.9450 -4.9450 -3.6163 -3.6163 0.2284 0.2284 0.4055 0.4055 1.5240 1.5240 2.2156 2.2156 2.6648 2.6648 2.9605 2.9605 4.0080 4.0080 4.1797 4.1797 6.1424 6.1424 6.4922 6.4922 11.6166 11.6166 12.0397 12.0397 k = 0.4245 0.4245 0.4066 ( 2856 PWs) bands (ev): -20.9177 -20.9177 -8.7511 -8.7511 -5.8367 -5.8367 -5.0756 -5.0756 -4.9421 -4.9421 -3.6176 -3.6176 0.2222 0.2222 0.4023 0.4023 1.5217 1.5217 2.2151 2.2151 2.6609 2.6609 2.9368 2.9368 3.9938 3.9938 4.1749 4.1749 6.1740 6.1740 6.5291 6.5291 11.5615 11.5615 12.0419 12.0419 k = 0.4151 0.4151 0.4066 ( 2860 PWs) bands (ev): -20.9182 -20.9182 -8.7569 -8.7569 -5.8291 -5.8291 -5.0639 -5.0639 -4.9386 -4.9386 -3.6190 -3.6190 0.2152 0.2152 0.3991 0.3991 1.5193 1.5193 2.2144 2.2144 2.6567 2.6567 2.9108 2.9108 3.9781 3.9781 4.1703 4.1703 6.2083 6.2083 6.5706 6.5706 11.5055 11.5055 12.0477 12.0477 k = 0.4057 0.4057 0.4066 ( 2856 PWs) bands (ev): -20.9187 -20.9187 -8.7631 -8.7631 -5.8211 -5.8211 -5.0518 -5.0518 -4.9342 -4.9342 -3.6204 -3.6204 0.2072 0.2072 0.3959 0.3959 1.5166 1.5166 2.2136 2.2136 2.6521 2.6521 2.8828 2.8828 3.9613 3.9613 4.1658 4.1658 6.2451 6.2451 6.6164 6.6164 11.4497 11.4497 12.0564 12.0564 k = 0.3962 0.3962 0.4066 ( 2852 PWs) bands (ev): -20.9193 -20.9193 -8.7695 -8.7695 -5.8129 -5.8129 -5.0395 -5.0395 -4.9287 -4.9287 -3.6218 -3.6218 0.1985 0.1985 0.3928 0.3928 1.5137 1.5137 2.2127 2.2127 2.6473 2.6473 2.8531 2.8531 3.9434 3.9434 4.1615 4.1615 6.2841 6.2841 6.6664 6.6664 11.3949 11.3949 12.0676 12.0676 k = 0.3868 0.3868 0.4066 ( 2860 PWs) bands (ev): -20.9200 -20.9200 -8.7762 -8.7762 -5.8044 -5.8044 -5.0276 -5.0276 -4.9217 -4.9217 -3.6231 -3.6231 0.1890 0.1890 0.3899 0.3899 1.5107 1.5107 2.2115 2.2115 2.6422 2.6422 2.8219 2.8219 3.9248 3.9248 4.1575 4.1575 6.3252 6.3252 6.7201 6.7201 11.3418 11.3418 12.0810 12.0810 k = 0.3774 0.3774 0.4066 ( 2856 PWs) bands (ev): -20.9207 -20.9207 -8.7829 -8.7829 -5.7958 -5.7958 -5.0165 -5.0165 -4.9130 -4.9130 -3.6244 -3.6244 0.1789 0.1789 0.3872 0.3872 1.5076 1.5076 2.2101 2.2101 2.6370 2.6370 2.7896 2.7896 3.9058 3.9058 4.1538 4.1538 6.3681 6.3681 6.7771 6.7771 11.2905 11.2905 12.0964 12.0964 k = 0.3679 0.3679 0.4066 ( 2864 PWs) bands (ev): -20.9214 -20.9214 -8.7896 -8.7896 -5.7873 -5.7873 -5.0066 -5.0066 -4.9023 -4.9023 -3.6256 -3.6256 0.1682 0.1682 0.3849 0.3849 1.5043 1.5043 2.2085 2.2085 2.6317 2.6317 2.7562 2.7562 3.8867 3.8867 4.1504 4.1504 6.4128 6.4128 6.8369 6.8369 11.2413 11.2413 12.1137 12.1137 k = 0.3585 0.3585 0.4066 ( 2866 PWs) bands (ev): -20.9222 -20.9222 -8.7962 -8.7962 -5.7789 -5.7789 -4.9982 -4.9982 -4.8898 -4.8898 -3.6265 -3.6265 0.1573 0.1573 0.3828 0.3828 1.5010 1.5010 2.2065 2.2065 2.6262 2.6262 2.7222 2.7222 3.8677 3.8677 4.1475 4.1475 6.4592 6.4592 6.8992 6.8992 11.1943 11.1943 12.1329 12.1329 k = 0.3491 0.3491 0.4066 ( 2882 PWs) bands (ev): -20.9230 -20.9230 -8.8026 -8.8026 -5.7706 -5.7706 -4.9912 -4.9912 -4.8755 -4.8755 -3.6273 -3.6273 0.1461 0.1461 0.3810 0.3810 1.4977 1.4977 2.2043 2.2043 2.6207 2.6207 2.6877 2.6877 3.8491 3.8491 4.1448 4.1448 6.5071 6.5071 6.9635 6.9635 11.1495 11.1495 12.1537 12.1537 k = 0.3396 0.3396 0.4066 ( 2886 PWs) bands (ev): -20.9239 -20.9239 -8.8087 -8.8087 -5.7627 -5.7627 -4.9854 -4.9854 -4.8599 -4.8599 -3.6279 -3.6279 0.1350 0.1350 0.3795 0.3795 1.4944 1.4944 2.2017 2.2017 2.6152 2.6152 2.6531 2.6531 3.8312 3.8312 4.1425 4.1425 6.5565 6.5565 7.0291 7.0291 11.1068 11.1068 12.1761 12.1761 k = 0.3302 0.3302 0.4066 ( 2886 PWs) bands (ev): -20.9248 -20.9248 -8.8145 -8.8145 -5.7551 -5.7551 -4.9808 -4.9808 -4.8435 -4.8435 -3.6282 -3.6282 0.1242 0.1242 0.3784 0.3784 1.4911 1.4911 2.1988 2.1988 2.6084 2.6084 2.6196 2.6196 3.8142 3.8142 4.1406 4.1406 6.6073 6.6073 7.0958 7.0958 11.0661 11.0661 12.1996 12.1996 k = 0.3208 0.3208 0.4066 ( 2886 PWs) bands (ev): -20.9257 -20.9257 -8.8199 -8.8199 -5.7479 -5.7479 -4.9769 -4.9769 -4.8267 -4.8267 -3.6281 -3.6281 0.1138 0.1138 0.3775 0.3775 1.4878 1.4878 2.1954 2.1954 2.5820 2.5820 2.6059 2.6059 3.7983 3.7983 4.1391 4.1391 6.6595 6.6595 7.1630 7.1630 11.0273 11.0273 12.2217 12.2217 k = 0.3113 0.3113 0.4066 ( 2874 PWs) bands (ev): -20.9267 -20.9267 -8.8248 -8.8248 -5.7411 -5.7411 -4.9737 -4.9737 -4.8099 -4.8099 -3.6278 -3.6278 0.1041 0.1041 0.3770 0.3770 1.4847 1.4847 2.1916 2.1916 2.5478 2.5478 2.6004 2.6004 3.7837 3.7837 4.1379 4.1379 6.7129 6.7129 7.2304 7.2304 10.9901 10.9901 12.2122 12.2122 k = 0.3019 0.3019 0.4066 ( 2866 PWs) bands (ev): -20.9277 -20.9277 -8.8292 -8.8292 -5.7348 -5.7348 -4.9710 -4.9710 -4.7935 -4.7935 -3.6271 -3.6271 0.0953 0.0953 0.3767 0.3767 1.4816 1.4816 2.1873 2.1873 2.5138 2.5138 2.5954 2.5954 3.7706 3.7706 4.1372 4.1372 6.7674 6.7674 7.2974 7.2974 10.9541 10.9541 12.1647 12.1647 k = 0.2925 0.2925 0.4066 ( 2870 PWs) bands (ev): -20.9287 -20.9287 -8.8331 -8.8331 -5.7291 -5.7291 -4.9687 -4.9687 -4.7778 -4.7778 -3.6260 -3.6260 0.0875 0.0875 0.3767 0.3767 1.4787 1.4787 2.1825 2.1825 2.4802 2.4802 2.5906 2.5906 3.7591 3.7591 4.1368 4.1368 6.8229 6.8229 7.3638 7.3638 10.9191 10.9191 12.1122 12.1122 k = 0.2830 0.2830 0.4066 ( 2870 PWs) bands (ev): -20.9298 -20.9298 -8.8363 -8.8363 -5.7239 -5.7239 -4.9667 -4.9667 -4.7630 -4.7630 -3.6246 -3.6246 0.0809 0.0809 0.3770 0.3770 1.4760 1.4760 2.1770 2.1770 2.4473 2.4473 2.5861 2.5861 3.7493 3.7493 4.1367 4.1367 6.8793 6.8793 7.4290 7.4290 10.8846 10.8846 12.0582 12.0582 k = 0.2736 0.2736 0.4066 ( 2870 PWs) bands (ev): -20.9309 -20.9309 -8.8389 -8.8389 -5.7193 -5.7193 -4.9649 -4.9649 -4.7495 -4.7495 -3.6228 -3.6228 0.0757 0.0757 0.3775 0.3775 1.4735 1.4735 2.1709 2.1709 2.4153 2.4153 2.5818 2.5818 3.7414 3.7414 4.1371 4.1371 6.9365 6.9365 7.4929 7.4929 10.8504 10.8504 12.0032 12.0032 k = 0.2642 0.2642 0.4066 ( 2866 PWs) bands (ev): -20.9319 -20.9319 -8.8408 -8.8408 -5.7153 -5.7153 -4.9634 -4.9634 -4.7373 -4.7373 -3.6206 -3.6206 0.0720 0.0720 0.3783 0.3783 1.4712 1.4712 2.1642 2.1642 2.3842 2.3842 2.5778 2.5778 3.7354 3.7354 4.1379 4.1379 6.9944 6.9944 7.5552 7.5552 10.8161 10.8161 11.9476 11.9476 k = 0.2547 0.2547 0.4066 ( 2870 PWs) bands (ev): -20.9330 -20.9330 -8.8421 -8.8421 -5.7119 -5.7119 -4.9620 -4.9620 -4.7267 -4.7267 -3.6181 -3.6181 0.0699 0.0699 0.3793 0.3793 1.4691 1.4691 2.1566 2.1566 2.3542 2.3542 2.5740 2.5740 3.7315 3.7315 4.1391 4.1391 7.0527 7.0527 7.6155 7.6155 10.7813 10.7813 11.8655 11.8655 k = 0.2453 0.2453 0.4066 ( 2864 PWs) bands (ev): -20.9341 -20.9341 -8.8427 -8.8427 -5.7091 -5.7091 -4.9607 -4.9607 -4.7177 -4.7177 -3.6152 -3.6152 0.0694 0.0694 0.3806 0.3806 1.4674 1.4674 2.1482 2.1482 2.3255 2.3255 2.5706 2.5706 3.7296 3.7296 4.1406 4.1406 7.1113 7.1113 7.6737 7.6737 10.7457 10.7457 11.7369 11.7369 k = 0.2358 0.2358 0.4066 ( 2864 PWs) bands (ev): -20.9352 -20.9352 -8.8426 -8.8426 -5.7069 -5.7069 -4.9596 -4.9596 -4.7104 -4.7104 -3.6120 -3.6120 0.0706 0.0706 0.3821 0.3821 1.4659 1.4659 2.1388 2.1388 2.2982 2.2982 2.5674 2.5674 3.7296 3.7296 4.1426 4.1426 7.1700 7.1700 7.7295 7.7295 10.7092 10.7092 11.6109 11.6109 k = 0.2264 0.2264 0.4066 ( 2864 PWs) bands (ev): -20.9363 -20.9363 -8.8419 -8.8419 -5.7053 -5.7053 -4.9586 -4.9586 -4.7048 -4.7048 -3.6085 -3.6085 0.0734 0.0734 0.3839 0.3839 1.4647 1.4647 2.1285 2.1285 2.2725 2.2725 2.5645 2.5645 3.7318 3.7318 4.1450 4.1450 7.2288 7.2288 7.7830 7.7830 10.6715 10.6715 11.4878 11.4878 k = 0.2170 0.2170 0.4066 ( 2860 PWs) bands (ev): -20.9374 -20.9374 -8.8404 -8.8404 -5.7044 -5.7044 -4.9578 -4.9578 -4.7009 -4.7009 -3.6047 -3.6047 0.0779 0.0779 0.3859 0.3859 1.4639 1.4639 2.1172 2.1172 2.2483 2.2483 2.5619 2.5619 3.7359 3.7359 4.1478 4.1478 7.2873 7.2873 7.8340 7.8340 10.6327 10.6327 11.3679 11.3679 k = 0.2075 0.2075 0.4066 ( 2866 PWs) bands (ev): -20.9385 -20.9385 -8.8384 -8.8384 -5.7040 -5.7040 -4.9571 -4.9571 -4.6987 -4.6987 -3.6006 -3.6006 0.0838 0.0838 0.3882 0.3882 1.4634 1.4634 2.1047 2.1047 2.2259 2.2259 2.5595 2.5595 3.7419 3.7419 4.1511 4.1511 7.3453 7.3453 7.8824 7.8824 10.5928 10.5928 11.2514 11.2514 k = 0.1981 0.1981 0.4066 ( 2862 PWs) bands (ev): -20.9396 -20.9396 -8.8358 -8.8358 -5.7042 -5.7042 -4.9565 -4.9565 -4.6981 -4.6981 -3.5963 -3.5963 0.0911 0.0911 0.3908 0.3908 1.4633 1.4633 2.0913 2.0913 2.2052 2.2052 2.5575 2.5575 3.7498 3.7498 4.1548 4.1548 7.4027 7.4027 7.9283 7.9283 10.5519 10.5519 11.1384 11.1384 k = 0.1887 0.1887 0.4066 ( 2860 PWs) bands (ev): -20.9406 -20.9406 -8.8327 -8.8327 -5.7049 -5.7049 -4.9562 -4.9562 -4.6989 -4.6989 -3.5918 -3.5918 0.0997 0.0997 0.3936 0.3936 1.4636 1.4636 2.0770 2.0770 2.1862 2.1862 2.5557 2.5557 3.7594 3.7594 4.1589 4.1589 7.4592 7.4592 7.9717 7.9717 10.5102 10.5102 11.0293 11.0293 k = 0.1792 0.1792 0.4066 ( 2868 PWs) bands (ev): -20.9417 -20.9417 -8.8290 -8.8290 -5.7061 -5.7061 -4.9560 -4.9560 -4.7010 -4.7010 -3.5872 -3.5872 0.1093 0.1093 0.3967 0.3967 1.4642 1.4642 2.0620 2.0620 2.1686 2.1686 2.5541 2.5541 3.7706 3.7706 4.1634 4.1634 7.5145 7.5145 8.0126 8.0126 10.4680 10.4680 10.9241 10.9241 k = 0.1698 0.1698 0.4066 ( 2868 PWs) bands (ev): -20.9427 -20.9427 -8.8249 -8.8249 -5.7077 -5.7077 -4.9561 -4.9561 -4.7042 -4.7042 -3.5825 -3.5825 0.1198 0.1198 0.4000 0.4000 1.4653 1.4653 2.0467 2.0467 2.1523 2.1523 2.5528 2.5528 3.7832 3.7832 4.1685 4.1685 7.5684 7.5684 8.0513 8.0513 10.4255 10.4255 10.8230 10.8230 k = 0.1604 0.1604 0.4066 ( 2868 PWs) bands (ev): -20.9437 -20.9437 -8.8205 -8.8205 -5.7098 -5.7098 -4.9564 -4.9564 -4.7084 -4.7084 -3.5777 -3.5777 0.1310 0.1310 0.4037 0.4037 1.4667 1.4667 2.0313 2.0313 2.1370 2.1370 2.5517 2.5517 3.7970 3.7970 4.1739 4.1739 7.6207 7.6207 8.0878 8.0878 10.3831 10.3831 10.7263 10.7263 k = 0.1509 0.1509 0.4066 ( 2866 PWs) bands (ev): -20.9446 -20.9446 -8.8156 -8.8156 -5.7123 -5.7123 -4.9570 -4.9570 -4.7134 -4.7134 -3.5729 -3.5729 0.1425 0.1425 0.4076 0.4076 1.4685 1.4685 2.0162 2.0162 2.1225 2.1225 2.5509 2.5509 3.8117 3.8117 4.1799 4.1799 7.6711 7.6711 8.1221 8.1221 10.3412 10.3412 10.6340 10.6340 k = 0.1415 0.1415 0.4066 ( 2866 PWs) bands (ev): -20.9455 -20.9455 -8.8106 -8.8106 -5.7150 -5.7150 -4.9580 -4.9580 -4.7189 -4.7189 -3.5681 -3.5681 0.1543 0.1543 0.4118 0.4118 1.4706 1.4706 2.0015 2.0015 2.1087 2.1087 2.5502 2.5502 3.8273 3.8273 4.1863 4.1863 7.7192 7.7192 8.1546 8.1546 10.2999 10.2999 10.5465 10.5465 k = 0.1321 0.1321 0.4066 ( 2874 PWs) bands (ev): -20.9464 -20.9464 -8.8054 -8.8054 -5.7180 -5.7180 -4.9593 -4.9593 -4.7248 -4.7248 -3.5634 -3.5634 0.1660 0.1660 0.4163 0.4163 1.4731 1.4731 1.9875 1.9875 2.0954 2.0954 2.5497 2.5497 3.8432 3.8432 4.1931 4.1931 7.7648 7.7648 8.1852 8.1852 10.2597 10.2597 10.4637 10.4637 k = 0.1226 0.1226 0.4066 ( 2878 PWs) bands (ev): -20.9472 -20.9472 -8.8000 -8.8000 -5.7213 -5.7213 -4.9609 -4.9609 -4.7308 -4.7308 -3.5587 -3.5587 0.1775 0.1775 0.4210 0.4210 1.4758 1.4758 1.9743 1.9743 2.0826 2.0826 2.5494 2.5494 3.8594 3.8594 4.2004 4.2004 7.8077 7.8077 8.2142 8.2142 10.2210 10.2210 10.3859 10.3859 k = 0.1132 0.1132 0.4066 ( 2880 PWs) bands (ev): -20.9480 -20.9480 -8.7947 -8.7947 -5.7246 -5.7246 -4.9628 -4.9628 -4.7368 -4.7368 -3.5543 -3.5543 0.1886 0.1886 0.4259 0.4259 1.4788 1.4788 1.9620 1.9620 2.0702 2.0702 2.5492 2.5492 3.8756 3.8756 4.2081 4.2081 7.8477 7.8477 8.2415 8.2415 10.1839 10.1839 10.3132 10.3132 k = 0.1038 0.1038 0.4066 ( 2884 PWs) bands (ev): -20.9487 -20.9487 -8.7894 -8.7894 -5.7280 -5.7280 -4.9651 -4.9651 -4.7425 -4.7425 -3.5500 -3.5500 0.1991 0.1991 0.4310 0.4310 1.4820 1.4820 1.9509 1.9509 2.0582 2.0582 2.5491 2.5491 3.8913 3.8913 4.2161 4.2161 7.8845 7.8845 8.2673 8.2673 10.1488 10.1488 10.2458 10.2458 k = 0.0943 0.0943 0.4066 ( 2882 PWs) bands (ev): -20.9494 -20.9494 -8.7842 -8.7842 -5.7314 -5.7314 -4.9677 -4.9677 -4.7480 -4.7480 -3.5459 -3.5459 0.2089 0.2089 0.4361 0.4361 1.4853 1.4853 1.9408 1.9408 2.0467 2.0467 2.5490 2.5490 3.9064 3.9064 4.2243 4.2243 7.9181 7.9181 8.2916 8.2916 10.1159 10.1159 10.1837 10.1837 k = 0.0849 0.0849 0.4066 ( 2878 PWs) bands (ev): -20.9500 -20.9500 -8.7792 -8.7792 -5.7348 -5.7348 -4.9704 -4.9704 -4.7530 -4.7530 -3.5421 -3.5421 0.2178 0.2178 0.4412 0.4412 1.4886 1.4886 1.9319 1.9319 2.0357 2.0357 2.5491 2.5491 3.9206 3.9206 4.2327 4.2327 7.9482 7.9482 8.3144 8.3144 10.0855 10.0855 10.1272 10.1272 k = 0.0755 0.0755 0.4066 ( 2882 PWs) bands (ev): -20.9506 -20.9506 -8.7745 -8.7745 -5.7380 -5.7380 -4.9733 -4.9733 -4.7575 -4.7575 -3.5387 -3.5387 0.2259 0.2259 0.4462 0.4462 1.4919 1.4919 1.9241 1.9241 2.0253 2.0253 2.5492 2.5492 3.9338 3.9338 4.2410 4.2410 7.9749 7.9749 8.3354 8.3354 10.0577 10.0577 10.0763 10.0763 k = 0.0660 0.0660 0.4066 ( 2878 PWs) bands (ev): -20.9511 -20.9511 -8.7702 -8.7702 -5.7410 -5.7410 -4.9762 -4.9762 -4.7615 -4.7615 -3.5355 -3.5355 0.2330 0.2330 0.4509 0.4509 1.4951 1.4951 1.9175 1.9175 2.0155 2.0155 2.5494 2.5494 3.9456 3.9456 4.2491 4.2491 7.9981 7.9981 8.3547 8.3547 10.0305 10.0305 10.0335 10.0335 k = 0.0566 0.0566 0.4066 ( 2878 PWs) bands (ev): -20.9515 -20.9515 -8.7663 -8.7663 -5.7437 -5.7437 -4.9790 -4.9790 -4.7649 -4.7649 -3.5327 -3.5327 0.2391 0.2391 0.4554 0.4554 1.4981 1.4981 1.9120 1.9120 2.0066 2.0066 2.5495 2.5495 3.9561 3.9561 4.2568 4.2568 8.0180 8.0180 8.3720 8.3720 9.9917 9.9917 10.0111 10.0111 k = 0.0472 0.0472 0.4066 ( 2882 PWs) bands (ev): -20.9519 -20.9519 -8.7629 -8.7629 -5.7462 -5.7462 -4.9816 -4.9816 -4.7677 -4.7677 -3.5303 -3.5303 0.2442 0.2442 0.4593 0.4593 1.5009 1.5009 1.9077 1.9077 1.9986 1.9986 2.5497 2.5497 3.9650 3.9650 4.2639 4.2639 8.0345 8.0345 8.3870 8.3870 9.9582 9.9582 9.9923 9.9923 k = 0.0377 0.0377 0.4066 ( 2878 PWs) bands (ev): -20.9522 -20.9522 -8.7600 -8.7600 -5.7482 -5.7482 -4.9839 -4.9839 -4.7700 -4.7700 -3.5283 -3.5283 0.2484 0.2484 0.4627 0.4627 1.5032 1.5032 1.9043 1.9043 1.9917 1.9917 2.5498 2.5498 3.9724 3.9724 4.2701 4.2701 8.0479 8.0479 8.3997 8.3997 9.9308 9.9308 9.9768 9.9768 k = 0.0283 0.0283 0.4066 ( 2870 PWs) bands (ev): -20.9525 -20.9525 -8.7577 -8.7577 -5.7499 -5.7499 -4.9858 -4.9858 -4.7718 -4.7718 -3.5267 -3.5267 0.2516 0.2516 0.4655 0.4655 1.5051 1.5051 1.9018 1.9018 1.9862 1.9862 2.5499 2.5499 3.9781 3.9781 4.2751 4.2751 8.0582 8.0582 8.4098 8.4098 9.9094 9.9094 9.9646 9.9646 k = 0.0189 0.0189 0.4066 ( 2862 PWs) bands (ev): -20.9526 -20.9526 -8.7560 -8.7560 -5.7511 -5.7511 -4.9872 -4.9872 -4.7730 -4.7730 -3.5256 -3.5256 0.2539 0.2539 0.4675 0.4675 1.5065 1.5065 1.9002 1.9002 1.9821 1.9821 2.5500 2.5500 3.9823 3.9823 4.2789 4.2789 8.0655 8.0655 8.4171 8.4171 9.8940 9.8940 9.9559 9.9559 k = 0.0094 0.0094 0.4066 ( 2858 PWs) bands (ev): -20.9527 -20.9527 -8.7550 -8.7550 -5.7518 -5.7518 -4.9881 -4.9881 -4.7737 -4.7737 -3.5249 -3.5249 0.2553 0.2553 0.4687 0.4687 1.5074 1.5074 1.8992 1.8992 1.9795 1.9795 2.5501 2.5501 3.9847 3.9847 4.2812 4.2812 8.0698 8.0698 8.4216 8.4216 9.8848 9.8848 9.9507 9.9507 k = 0.0000 0.0000 0.4066 ( 2852 PWs) bands (ev): -20.9528 -20.9528 -8.7547 -8.7547 -5.7520 -5.7520 -4.9884 -4.9884 -4.7740 -4.7740 -3.5246 -3.5246 0.2558 0.2558 0.4692 0.4692 1.5077 1.5077 1.8989 1.8989 1.9787 1.9787 2.5501 2.5501 3.9856 3.9856 4.2820 4.2820 8.0712 8.0712 8.4231 8.4231 9.8817 9.8817 9.9489 9.9489 k = 0.0000 0.5000-0.0000 ( 2864 PWs) bands (ev): -20.9337 -20.9337 -9.1261 -9.1261 -5.5947 -5.5947 -4.7862 -4.7862 -4.6352 -4.6352 -2.1082 -2.1082 -0.3063 -0.3063 0.7743 0.7743 0.7834 0.7834 1.5584 1.5584 1.9435 1.9435 2.1178 2.1178 2.4382 2.4382 3.0528 3.0528 7.2723 7.2723 10.6938 10.6938 11.4729 11.4729 12.0483 12.0483 k = 0.0000 0.5000 0.0131 ( 2860 PWs) bands (ev): -20.9337 -20.9337 -9.1256 -9.1256 -5.5948 -5.5948 -4.7862 -4.7862 -4.6352 -4.6352 -2.1161 -2.1161 -0.2972 -0.2972 0.7727 0.7727 0.7784 0.7784 1.5619 1.5619 1.9349 1.9349 2.1330 2.1330 2.4383 2.4383 3.0528 3.0528 7.2714 7.2714 10.6922 10.6922 11.4617 11.4617 12.0475 12.0475 k = 0.0000 0.5000 0.0262 ( 2864 PWs) bands (ev): -20.9337 -20.9337 -9.1244 -9.1244 -5.5949 -5.5949 -4.7864 -4.7864 -4.6351 -4.6351 -2.1394 -2.1394 -0.2704 -0.2704 0.7641 0.7641 0.7680 0.7680 1.5711 1.5711 1.9168 1.9168 2.1710 2.1710 2.4387 2.4387 3.0527 3.0527 7.2687 7.2687 10.6873 10.6873 11.4286 11.4286 12.0448 12.0448 k = 0.0000 0.5000 0.0393 ( 2868 PWs) bands (ev): -20.9337 -20.9337 -9.1222 -9.1222 -5.5950 -5.5950 -4.7866 -4.7866 -4.6350 -4.6350 -2.1766 -2.1766 -0.2275 -0.2275 0.7419 0.7419 0.7603 0.7603 1.5828 1.5828 1.9013 1.9013 2.2220 2.2220 2.4393 2.4393 3.0525 3.0525 7.2642 7.2642 10.6794 10.6794 11.3758 11.3758 12.0400 12.0400 k = 0.0000 0.5000 0.0525 ( 2870 PWs) bands (ev): -20.9337 -20.9337 -9.1192 -9.1192 -5.5952 -5.5952 -4.7870 -4.7870 -4.6348 -4.6348 -2.2257 -2.2257 -0.1707 -0.1707 0.7134 0.7134 0.7497 0.7497 1.5922 1.5922 1.8965 1.8965 2.2806 2.2806 2.4403 2.4403 3.0523 3.0523 7.2576 7.2576 10.6691 10.6691 11.3061 11.3061 12.0324 12.0324 k = 0.0000 0.5000 0.0656 ( 2862 PWs) bands (ev): -20.9337 -20.9337 -9.1153 -9.1153 -5.5955 -5.5955 -4.7874 -4.7874 -4.6347 -4.6347 -2.2844 -2.2844 -0.1027 -0.1027 0.6808 0.6808 0.7366 0.7366 1.5951 1.5951 1.9068 1.9068 2.3443 2.3443 2.4417 2.4417 3.0521 3.0521 7.2489 7.2489 10.6568 10.6568 11.2226 11.2226 12.0213 12.0213 k = 0.0000 0.5000 0.0787 ( 2870 PWs) bands (ev): -20.9336 -20.9336 -9.1107 -9.1107 -5.5959 -5.5959 -4.7879 -4.7879 -4.6344 -4.6344 -2.3506 -2.3506 -0.0263 -0.0263 0.6459 0.6459 0.7213 0.7213 1.5901 1.5901 1.9326 1.9326 2.4117 2.4117 2.4440 2.4440 3.0519 3.0519 7.2377 7.2377 10.6429 10.6429 11.1284 11.1284 12.0060 12.0060 k = 0.0000 0.5000 0.0918 ( 2868 PWs) bands (ev): -20.9336 -20.9336 -9.1053 -9.1053 -5.5962 -5.5962 -4.7885 -4.7885 -4.6342 -4.6342 -2.4222 -2.4222 0.0552 0.0552 0.6108 0.6108 0.7045 0.7045 1.5790 1.5790 1.9710 1.9710 2.4467 2.4467 2.4828 2.4828 3.0520 3.0520 7.2239 7.2239 10.6281 10.6281 11.0264 11.0264 11.9857 11.9857 k = 0.0000 0.5000 0.1049 ( 2864 PWs) bands (ev): -20.9336 -20.9336 -9.0992 -9.0992 -5.5967 -5.5967 -4.7891 -4.7891 -4.6339 -4.6339 -2.4975 -2.4975 0.1378 0.1378 0.5781 0.5781 0.6872 0.6872 1.5644 1.5644 2.0178 2.0178 2.4514 2.4514 2.5558 2.5558 3.0523 3.0523 7.2073 7.2073 10.6122 10.6122 10.9197 10.9197 11.9601 11.9601 k = 0.0000 0.5000 0.1180 ( 2868 PWs) bands (ev): -20.9335 -20.9335 -9.0925 -9.0925 -5.5972 -5.5972 -4.7898 -4.7898 -4.6336 -4.6336 -2.5752 -2.5752 0.2149 0.2149 0.5519 0.5519 0.6716 0.6716 1.5485 1.5485 2.0692 2.0692 2.4580 2.4580 2.6309 2.6309 3.0530 3.0530 7.1875 7.1875 10.5937 10.5937 10.8127 10.8127 11.9285 11.9285 k = 0.0000 0.5000 0.1311 ( 2860 PWs) bands (ev): -20.9335 -20.9335 -9.0851 -9.0851 -5.5977 -5.5977 -4.7906 -4.7906 -4.6332 -4.6332 -2.6542 -2.6542 0.2747 0.2747 0.5381 0.5381 0.6631 0.6631 1.5324 1.5324 2.1219 2.1219 2.4677 2.4677 2.7076 2.7076 3.0545 3.0545 7.1644 7.1644 10.5639 10.5639 10.7163 10.7163 11.8913 11.8913 k = 0.0000 0.5000 0.1443 ( 2860 PWs) bands (ev): -20.9335 -20.9335 -9.0773 -9.0773 -5.5982 -5.5982 -4.7914 -4.7914 -4.6328 -4.6328 -2.7334 -2.7334 0.3030 0.3030 0.5370 0.5370 0.6753 0.6753 1.5171 1.5171 2.1726 2.1726 2.4820 2.4820 2.7853 2.7853 3.0570 3.0570 7.1377 7.1377 10.5000 10.5000 10.6555 10.6555 11.8484 11.8484 k = 0.0000 0.5000 0.1574 ( 2876 PWs) bands (ev): -20.9334 -20.9334 -9.0689 -9.0689 -5.5988 -5.5988 -4.7923 -4.7923 -4.6324 -4.6324 -2.8121 -2.8121 0.3003 0.3003 0.5326 0.5326 0.7238 0.7238 1.5029 1.5029 2.2179 2.2179 2.5027 2.5027 2.8637 2.8637 3.0612 3.0612 7.1074 7.1074 10.4002 10.4002 10.6339 10.6339 11.8003 11.8003 k = 0.0000 0.5000 0.1705 ( 2874 PWs) bands (ev): -20.9334 -20.9334 -9.0602 -9.0602 -5.5994 -5.5994 -4.7932 -4.7932 -4.6320 -4.6320 -2.8895 -2.8895 0.2802 0.2802 0.5178 0.5178 0.8016 0.8016 1.4898 1.4898 2.2551 2.2551 2.5311 2.5311 2.9417 2.9417 3.0680 3.0680 7.0734 7.0734 10.2869 10.2869 10.6310 10.6310 11.7477 11.7477 k = 0.0000 0.5000 0.1836 ( 2882 PWs) bands (ev): -20.9333 -20.9333 -9.0512 -9.0512 -5.6000 -5.6000 -4.7941 -4.7941 -4.6316 -4.6316 -2.9653 -2.9653 0.2527 0.2527 0.4973 0.4973 0.8937 0.8937 1.4781 1.4781 2.2829 2.2829 2.5669 2.5669 3.0165 3.0165 3.0810 3.0810 7.0357 7.0357 10.1699 10.1699 10.6381 10.6381 11.6912 11.6912 k = 0.0000 0.5000 0.1967 ( 2882 PWs) bands (ev): -20.9333 -20.9333 -9.0420 -9.0420 -5.6007 -5.6007 -4.7950 -4.7950 -4.6311 -4.6311 -3.0388 -3.0388 0.2225 0.2225 0.4745 0.4745 0.9921 0.9921 1.4677 1.4677 2.3022 2.3022 2.6076 2.6076 3.0693 3.0693 3.1193 3.1193 6.9945 6.9945 10.0528 10.0528 10.6531 10.6531 11.6318 11.6318 k = 0.0000 0.5000 0.2098 ( 2882 PWs) bands (ev): -20.9332 -20.9332 -9.0327 -9.0327 -5.6013 -5.6013 -4.7959 -4.7959 -4.6307 -4.6307 -3.1096 -3.1096 0.1919 0.1919 0.4508 0.4508 1.0925 1.0925 1.4586 1.4586 2.3149 2.3149 2.6496 2.6496 3.0945 3.0945 3.1897 3.1897 6.9500 6.9500 9.9371 9.9371 10.6754 10.6754 11.5701 11.5701 k = 0.0000 0.5000 0.2229 ( 2878 PWs) bands (ev): -20.9332 -20.9332 -9.0233 -9.0233 -5.6019 -5.6019 -4.7968 -4.7968 -4.6302 -4.6302 -3.1775 -3.1775 0.1617 0.1617 0.4272 0.4272 1.1927 1.1927 1.4511 1.4511 2.3228 2.3228 2.6889 2.6889 3.1195 3.1195 3.2655 3.2655 6.9026 6.9026 9.8239 9.8239 10.7048 10.7048 11.5070 11.5070 k = 0.0000 0.5000 0.2361 ( 2874 PWs) bands (ev): -20.9332 -20.9332 -9.0140 -9.0140 -5.6025 -5.6025 -4.7977 -4.7977 -4.6298 -4.6298 -3.2419 -3.2419 0.1327 0.1327 0.4042 0.4042 1.2902 1.2902 1.4461 1.4461 2.3274 2.3274 2.7225 2.7225 3.1506 3.1506 3.3410 3.3410 6.8527 6.8527 9.7140 9.7140 10.7411 10.7411 11.4435 11.4435 k = 0.0000 0.5000 0.2492 ( 2874 PWs) bands (ev): -20.9331 -20.9331 -9.0048 -9.0048 -5.6032 -5.6032 -4.7986 -4.7986 -4.6294 -4.6294 -3.3028 -3.3028 0.1052 0.1052 0.3820 0.3820 1.3771 1.3771 1.4505 1.4505 2.3297 2.3297 2.7489 2.7489 3.1886 3.1886 3.4149 3.4149 6.8010 6.8010 9.6083 9.6083 10.7843 10.7843 11.3805 11.3805 k = 0.0000 0.5000 0.2623 ( 2878 PWs) bands (ev): -20.9331 -20.9331 -8.9960 -8.9960 -5.6037 -5.6037 -4.7994 -4.7994 -4.6289 -4.6289 -3.3597 -3.3597 0.0795 0.0795 0.3609 0.3609 1.4136 1.4136 1.5033 1.5033 2.3301 2.3301 2.7676 2.7676 3.2327 3.2327 3.4865 3.4865 6.7480 6.7480 9.5074 9.5074 10.8337 10.8337 11.3191 11.3191 k = 0.0000 0.5000 0.2754 ( 2874 PWs) bands (ev): -20.9330 -20.9330 -8.9874 -8.9874 -5.6043 -5.6043 -4.8002 -4.8002 -4.6285 -4.6285 -3.4126 -3.4126 0.0556 0.0556 0.3412 0.3412 1.4153 1.4153 1.5881 1.5881 2.3291 2.3291 2.7796 2.7796 3.2813 3.2813 3.5552 3.5552 6.6947 6.6947 9.4121 9.4121 10.8889 10.8889 11.2605 11.2605 k = 0.0000 0.5000 0.2885 ( 2870 PWs) bands (ev): -20.9330 -20.9330 -8.9794 -8.9794 -5.6048 -5.6048 -4.8009 -4.8009 -4.6281 -4.6281 -3.4610 -3.4610 0.0338 0.0338 0.3230 0.3230 1.4127 1.4127 1.6737 1.6737 2.3267 2.3267 2.7859 2.7859 3.3321 3.3321 3.6203 3.6203 6.6419 6.6419 9.3230 9.3230 10.9479 10.9479 11.2070 11.2070 k = 0.0000 0.5000 0.3016 ( 2880 PWs) bands (ev): -20.9330 -20.9330 -8.9719 -8.9719 -5.6053 -5.6053 -4.8015 -4.8015 -4.6278 -4.6278 -3.5049 -3.5049 0.0141 0.0141 0.3065 0.3065 1.4096 1.4096 1.7558 1.7558 2.3229 2.3229 2.7879 2.7879 3.3832 3.3832 3.6812 3.6812 6.5904 6.5904 9.2410 9.2410 11.0052 11.0052 11.1643 11.1643 k = 0.0000 0.5000 0.3147 ( 2876 PWs) bands (ev): -20.9329 -20.9329 -8.9650 -8.9650 -5.6057 -5.6057 -4.8021 -4.8021 -4.6275 -4.6275 -3.5440 -3.5440 -0.0034 -0.0034 0.2916 0.2916 1.4066 1.4066 1.8332 1.8332 2.3178 2.3178 2.7867 2.7867 3.4327 3.4327 3.7372 3.7372 6.5414 6.5414 9.1665 9.1665 11.0371 11.0371 11.1565 11.1565 k = 0.0000 0.5000 0.3279 ( 2872 PWs) bands (ev): -20.9329 -20.9329 -8.9589 -8.9589 -5.6061 -5.6061 -4.8027 -4.8027 -4.6272 -4.6272 -3.5783 -3.5783 -0.0186 -0.0186 0.2786 0.2786 1.4040 1.4040 1.9053 1.9053 2.3109 2.3109 2.7832 2.7832 3.4789 3.4789 3.7877 3.7877 6.4959 6.4959 9.1004 9.1004 11.0214 11.0214 11.2058 11.2058 k = 0.0000 0.5000 0.3410 ( 2868 PWs) bands (ev): -20.9329 -20.9329 -8.9536 -8.9536 -5.6064 -5.6064 -4.8031 -4.8031 -4.6269 -4.6269 -3.6075 -3.6075 -0.0316 -0.0316 0.2675 0.2675 1.4017 1.4017 1.9715 1.9715 2.3021 2.3021 2.7783 2.7783 3.5205 3.5205 3.8320 3.8320 6.4549 6.4549 9.0433 9.0433 10.9906 10.9906 11.2789 11.2789 k = 0.0000 0.5000 0.3541 ( 2860 PWs) bands (ev): -20.9329 -20.9329 -8.9492 -8.9492 -5.6067 -5.6067 -4.8035 -4.8035 -4.6267 -4.6267 -3.6316 -3.6316 -0.0422 -0.0422 0.2583 0.2583 1.3999 1.3999 2.0315 2.0315 2.2907 2.2907 2.7727 2.7727 3.5562 3.5562 3.8695 3.8695 6.4196 6.4196 8.9956 8.9956 10.9611 10.9611 11.3583 11.3583 k = 0.0000 0.5000 0.3672 ( 2868 PWs) bands (ev): -20.9328 -20.9328 -8.9456 -8.9456 -5.6069 -5.6069 -4.8038 -4.8038 -4.6265 -4.6265 -3.6504 -3.6504 -0.0506 -0.0506 0.2511 0.2511 1.3985 1.3985 2.0849 2.0849 2.2763 2.2763 2.7673 2.7673 3.5851 3.5851 3.8993 3.8993 6.3909 6.3909 8.9579 8.9579 10.9365 10.9365 11.4378 11.4378 k = 0.0000 0.5000 0.3803 ( 2860 PWs) bands (ev): -20.9328 -20.9328 -8.9431 -8.9431 -5.6070 -5.6070 -4.8040 -4.8040 -4.6264 -4.6264 -3.6640 -3.6640 -0.0565 -0.0565 0.2460 0.2460 1.3975 1.3975 2.1316 2.1316 2.2582 2.2582 2.7629 2.7629 3.6064 3.6064 3.9211 3.9211 6.3697 6.3697 8.9307 8.9307 10.9185 10.9185 11.5111 11.5111 k = 0.0000 0.5000 0.3934 ( 2860 PWs) bands (ev): -20.9328 -20.9328 -8.9415 -8.9415 -5.6071 -5.6071 -4.8041 -4.8041 -4.6263 -4.6263 -3.6721 -3.6721 -0.0601 -0.0601 0.2429 0.2429 1.3969 1.3969 2.1714 2.1714 2.2359 2.2359 2.7599 2.7599 3.6193 3.6193 3.9344 3.9344 6.3567 6.3567 8.9143 8.9143 10.9074 10.9074 11.5671 11.5671 k = 0.0000 0.5000 0.4066 ( 2860 PWs) bands (ev): -20.9328 -20.9328 -8.9410 -8.9410 -5.6072 -5.6072 -4.8042 -4.8042 -4.6263 -4.6263 -3.6748 -3.6748 -0.0613 -0.0613 0.2418 0.2418 1.3967 1.3967 2.1980 2.1980 2.2152 2.2152 2.7588 2.7588 3.6237 3.6237 3.9389 3.9389 6.3523 6.3523 8.9088 8.9088 10.9037 10.9037 11.5893 11.5893 k = 0.5000 0.5000-0.0000 ( 2872 PWs) bands (ev): -20.9167 -20.9167 -8.9186 -8.9186 -5.8572 -5.8572 -5.1154 -5.1154 -4.9136 -4.9136 -2.1011 -2.1011 -0.1615 -0.1615 0.7119 0.7119 0.7353 0.7353 1.8674 1.8674 2.4203 2.4203 2.4426 2.4426 2.6572 2.6572 3.4911 3.4911 8.7340 8.7340 9.2481 9.2481 9.6394 9.6394 9.7801 9.7801 k = 0.5000 0.5000 0.0131 ( 2872 PWs) bands (ev): -20.9167 -20.9167 -8.9182 -8.9182 -5.8572 -5.8572 -5.1154 -5.1154 -4.9137 -4.9137 -2.1083 -2.1083 -0.1532 -0.1532 0.7107 0.7107 0.7344 0.7344 1.8637 1.8637 2.4267 2.4267 2.4458 2.4458 2.6574 2.6574 3.4910 3.4910 8.7140 8.7140 9.2166 9.2166 9.6601 9.6601 9.8116 9.8116 k = 0.5000 0.5000 0.0262 ( 2872 PWs) bands (ev): -20.9167 -20.9167 -8.9168 -8.9168 -5.8573 -5.8573 -5.1155 -5.1155 -4.9140 -4.9140 -2.1296 -2.1296 -0.1288 -0.1288 0.7072 0.7072 0.7317 0.7317 1.8529 1.8529 2.4453 2.4453 2.4553 2.4553 2.6583 2.6583 3.4907 3.4907 8.6588 8.6588 9.1379 9.1379 9.7176 9.7176 9.8900 9.8900 k = 0.5000 0.5000 0.0393 ( 2880 PWs) bands (ev): -20.9167 -20.9167 -8.9146 -8.9146 -5.8575 -5.8575 -5.1156 -5.1156 -4.9145 -4.9145 -2.1637 -2.1637 -0.0896 -0.0896 0.7017 0.7017 0.7273 0.7273 1.8366 1.8366 2.4710 2.4710 2.4744 2.4744 2.6600 2.6600 3.4902 3.4902 8.5782 8.5782 9.0350 9.0350 9.8018 9.8018 9.9909 9.9909 k = 0.5000 0.5000 0.0525 ( 2880 PWs) bands (ev): -20.9166 -20.9166 -8.9114 -8.9114 -5.8577 -5.8577 -5.1158 -5.1158 -4.9152 -4.9152 -2.2090 -2.2090 -0.0374 -0.0374 0.6945 0.6945 0.7212 0.7212 1.8164 1.8164 2.4927 2.4927 2.5117 2.5117 2.6629 2.6629 3.4895 3.4895 8.4816 8.4816 8.9209 8.9209 9.9035 9.9035 10.0973 10.0973 k = 0.5000 0.5000 0.0656 ( 2880 PWs) bands (ev): -20.9166 -20.9166 -8.9075 -8.9075 -5.8579 -5.8579 -5.1160 -5.1160 -4.9161 -4.9161 -2.2636 -2.2636 0.0253 0.0253 0.6863 0.6863 0.7135 0.7135 1.7940 1.7940 2.5199 2.5199 2.5540 2.5540 2.6687 2.6687 3.4887 3.4887 8.3751 8.3751 8.8013 8.8013 10.0165 10.0165 10.1880 10.1880 k = 0.5000 0.5000 0.0787 ( 2880 PWs) bands (ev): -20.9166 -20.9166 -8.9027 -8.9027 -5.8583 -5.8583 -5.1162 -5.1162 -4.9172 -4.9172 -2.3256 -2.3256 0.0957 0.0957 0.6783 0.6783 0.7043 0.7043 1.7707 1.7707 2.5523 2.5523 2.5955 2.5955 2.6816 2.6816 3.4878 3.4878 8.2626 8.2626 8.6791 8.6791 10.1366 10.1366 10.2451 10.2451 k = 0.5000 0.5000 0.0918 ( 2880 PWs) bands (ev): -20.9166 -20.9166 -8.8971 -8.8971 -5.8586 -5.8586 -5.1165 -5.1165 -4.9184 -4.9184 -2.3932 -2.3932 0.1708 0.1708 0.6720 0.6720 0.6936 0.6936 1.7474 1.7474 2.5893 2.5893 2.6249 2.6249 2.7119 2.7119 3.4869 3.4869 8.1468 8.1468 8.5557 8.5557 10.2614 10.2614 10.2870 10.2870 k = 0.5000 0.5000 0.1049 ( 2880 PWs) bands (ev): -20.9165 -20.9165 -8.8908 -8.8908 -5.8591 -5.8591 -5.1168 -5.1168 -4.9198 -4.9198 -2.4647 -2.4647 0.2463 0.2463 0.6704 0.6704 0.6817 0.6817 1.7247 1.7247 2.6305 2.6305 2.6388 2.6388 2.7619 2.7619 3.4860 3.4860 8.0290 8.0290 8.4319 8.4319 10.3276 10.3276 10.3893 10.3893 k = 0.5000 0.5000 0.1180 ( 2876 PWs) bands (ev): -20.9165 -20.9165 -8.8838 -8.8838 -5.8595 -5.8595 -5.1172 -5.1172 -4.9213 -4.9213 -2.5389 -2.5389 0.3163 0.3163 0.6686 0.6686 0.6784 0.6784 1.7031 1.7031 2.6454 2.6454 2.6752 2.6752 2.8229 2.8229 3.4854 3.4854 7.9103 7.9103 8.3083 8.3083 10.3709 10.3709 10.5192 10.5192 k = 0.5000 0.5000 0.1311 ( 2876 PWs) bands (ev): -20.9165 -20.9165 -8.8762 -8.8762 -5.8600 -5.8600 -5.1176 -5.1176 -4.9230 -4.9230 -2.6146 -2.6146 0.3723 0.3723 0.6545 0.6545 0.7033 0.7033 1.6829 1.6829 2.6495 2.6495 2.7227 2.7227 2.8896 2.8896 3.4853 3.4853 7.7914 7.7914 8.1853 8.1853 10.4179 10.4179 10.6501 10.6501 k = 0.5000 0.5000 0.1443 ( 2860 PWs) bands (ev): -20.9164 -20.9164 -8.8680 -8.8680 -5.8605 -5.8605 -5.1180 -5.1180 -4.9247 -4.9247 -2.6908 -2.6908 0.4073 0.4073 0.6396 0.6396 0.7516 0.7516 1.6642 1.6642 2.6524 2.6524 2.7724 2.7724 2.9600 2.9600 3.4858 3.4858 7.6729 7.6729 8.0632 8.0632 10.4692 10.4692 10.7814 10.7814 k = 0.5000 0.5000 0.1574 ( 2860 PWs) bands (ev): -20.9164 -20.9164 -8.8594 -8.8594 -5.8611 -5.8611 -5.1185 -5.1185 -4.9265 -4.9265 -2.7669 -2.7669 0.4220 0.4220 0.6241 0.6241 0.8219 0.8219 1.6470 1.6470 2.6548 2.6548 2.8233 2.8233 3.0331 3.0331 3.4875 3.4875 7.5552 7.5552 7.9421 7.9421 10.5248 10.5248 10.9125 10.9125 k = 0.5000 0.5000 0.1705 ( 2876 PWs) bands (ev): -20.9163 -20.9163 -8.8504 -8.8504 -5.8617 -5.8617 -5.1189 -5.1189 -4.9284 -4.9284 -2.8420 -2.8420 0.4227 0.4227 0.6081 0.6081 0.9071 0.9071 1.6315 1.6315 2.6570 2.6570 2.8745 2.8745 3.1083 3.1083 3.4909 3.4909 7.4385 7.4385 7.8224 7.8224 10.5848 10.5848 11.0427 11.0427 k = 0.5000 0.5000 0.1836 ( 2876 PWs) bands (ev): -20.9163 -20.9163 -8.8410 -8.8410 -5.8623 -5.8623 -5.1194 -5.1194 -4.9304 -4.9304 -2.9156 -2.9156 0.4155 0.4155 0.5919 0.5919 1.0009 1.0009 1.6174 1.6174 2.6590 2.6590 2.9246 2.9246 3.1851 3.1851 3.4968 3.4968 7.3233 7.3233 7.7042 7.7042 10.6493 10.6493 11.1716 11.1716 k = 0.5000 0.5000 0.1967 ( 2880 PWs) bands (ev): -20.9162 -20.9162 -8.8315 -8.8315 -5.8629 -5.8629 -5.1199 -5.1199 -4.9324 -4.9324 -2.9872 -2.9872 0.4040 0.4040 0.5757 0.5757 1.0991 1.0991 1.6049 1.6049 2.6609 2.6609 2.9722 2.9722 3.2631 3.2631 3.5061 3.5061 7.2098 7.2098 7.5878 7.5878 10.7182 10.7182 11.2987 11.2987 k = 0.5000 0.5000 0.2098 ( 2880 PWs) bands (ev): -20.9162 -20.9162 -8.8218 -8.8218 -5.8635 -5.8635 -5.1204 -5.1204 -4.9343 -4.9343 -3.0563 -3.0563 0.3903 0.3903 0.5595 0.5595 1.1991 1.1991 1.5937 1.5937 2.6627 2.6627 3.0156 3.0156 3.3420 3.3420 3.5203 3.5203 7.0983 7.0983 7.4735 7.4735 10.7915 10.7915 11.4232 11.4232 k = 0.5000 0.5000 0.2229 ( 2872 PWs) bands (ev): -20.9161 -20.9161 -8.8120 -8.8120 -5.8641 -5.8641 -5.1209 -5.1209 -4.9363 -4.9363 -3.1227 -3.1227 0.3755 0.3755 0.5437 0.5437 1.2993 1.2993 1.5838 1.5838 2.6645 2.6645 3.0530 3.0530 3.4213 3.4213 3.5404 3.5404 6.9891 6.9891 7.3614 7.3614 10.8692 10.8692 11.5445 11.5445 k = 0.5000 0.5000 0.2361 ( 2876 PWs) bands (ev): -20.9161 -20.9161 -8.8024 -8.8024 -5.8647 -5.8647 -5.1213 -5.1213 -4.9382 -4.9382 -3.1858 -3.1858 0.3605 0.3605 0.5283 0.5283 1.3986 1.3986 1.5751 1.5751 2.6662 2.6662 3.0830 3.0830 3.5005 3.5005 3.5676 3.5676 6.8826 6.8826 7.2520 7.2520 10.9510 10.9510 11.6616 11.6616 k = 0.5000 0.5000 0.2492 ( 2860 PWs) bands (ev): -20.9161 -20.9161 -8.7929 -8.7929 -5.8653 -5.8653 -5.1218 -5.1218 -4.9401 -4.9401 -3.2454 -3.2454 0.3456 0.3456 0.5135 0.5135 1.4961 1.4961 1.5675 1.5675 2.6678 2.6678 3.1047 3.1047 3.5793 3.5793 3.6021 3.6021 6.7791 6.7791 7.1456 7.1456 11.0371 11.0371 11.7733 11.7733 k = 0.5000 0.5000 0.2623 ( 2860 PWs) bands (ev): -20.9160 -20.9160 -8.7836 -8.7836 -5.8659 -5.8659 -5.1223 -5.1223 -4.9419 -4.9419 -3.3013 -3.3013 0.3313 0.3313 0.4994 0.4994 1.5608 1.5608 1.5908 1.5908 2.6693 2.6693 3.1182 3.1182 3.6432 3.6432 3.6571 3.6571 6.6792 6.6792 7.0427 7.0427 11.1271 11.1271 11.8772 11.8772 k = 0.5000 0.5000 0.2754 ( 2860 PWs) bands (ev): -20.9160 -20.9160 -8.7748 -8.7748 -5.8664 -5.8664 -5.1227 -5.1227 -4.9437 -4.9437 -3.3532 -3.3532 0.3177 0.3177 0.4862 0.4862 1.5551 1.5551 1.6822 1.6822 2.6708 2.6708 3.1242 3.1242 3.6897 3.6897 3.7332 3.7332 6.5832 6.5832 6.9439 6.9439 11.2210 11.2210 11.9650 11.9650 k = 0.5000 0.5000 0.2885 ( 2860 PWs) bands (ev): -20.9159 -20.9159 -8.7664 -8.7664 -5.8669 -5.8669 -5.1231 -5.1231 -4.9453 -4.9453 -3.4008 -3.4008 0.3050 0.3050 0.4739 0.4739 1.5501 1.5501 1.7693 1.7693 2.6721 2.6721 3.1241 3.1241 3.7396 3.7396 3.8071 3.8071 6.4919 6.4919 6.8497 6.8497 11.3185 11.3185 12.0032 12.0032 k = 0.5000 0.5000 0.3016 ( 2860 PWs) bands (ev): -20.9159 -20.9159 -8.7586 -8.7586 -5.8674 -5.8674 -5.1235 -5.1235 -4.9468 -4.9468 -3.4440 -3.4440 0.2934 0.2934 0.4627 0.4627 1.5459 1.5459 1.8516 1.8516 2.6734 2.6734 3.1191 3.1191 3.7911 3.7911 3.8778 3.8778 6.4059 6.4059 6.7609 6.7609 11.4193 11.4193 11.9858 11.9858 k = 0.5000 0.5000 0.3147 ( 2868 PWs) bands (ev): -20.9159 -20.9159 -8.7515 -8.7515 -5.8678 -5.8678 -5.1238 -5.1238 -4.9481 -4.9481 -3.4826 -3.4826 0.2830 0.2830 0.4526 0.4526 1.5424 1.5424 1.9282 1.9282 2.6745 2.6745 3.1104 3.1104 3.8424 3.8424 3.9446 3.9446 6.3261 6.3261 6.6783 6.6783 11.5231 11.5231 11.9551 11.9551 k = 0.5000 0.5000 0.3279 ( 2868 PWs) bands (ev): -20.9158 -20.9158 -8.7451 -8.7451 -5.8682 -5.8682 -5.1241 -5.1241 -4.9493 -4.9493 -3.5163 -3.5163 0.2738 0.2738 0.4437 0.4437 1.5394 1.5394 1.9982 1.9982 2.6755 2.6755 3.0992 3.0992 3.8916 3.8916 4.0062 4.0062 6.2533 6.2533 6.6031 6.6031 11.6291 11.6291 11.9242 11.9242 k = 0.5000 0.5000 0.3410 ( 2864 PWs) bands (ev): -20.9158 -20.9158 -8.7396 -8.7396 -5.8685 -5.8685 -5.1244 -5.1244 -4.9503 -4.9503 -3.5451 -3.5451 0.2659 0.2659 0.4361 0.4361 1.5370 1.5370 2.0606 2.0606 2.6764 2.6764 3.0865 3.0865 3.9371 3.9371 4.0615 4.0615 6.1888 6.1888 6.5363 6.5363 11.7363 11.7363 11.8958 11.8958 k = 0.5000 0.5000 0.3541 ( 2864 PWs) bands (ev): -20.9158 -20.9158 -8.7349 -8.7349 -5.8688 -5.8688 -5.1246 -5.1246 -4.9512 -4.9512 -3.5688 -3.5688 0.2594 0.2594 0.4298 0.4298 1.5351 1.5351 2.1142 2.1142 2.6771 2.6771 3.0737 3.0737 3.9772 3.9772 4.1093 4.1093 6.1336 6.1336 6.4791 6.4791 11.8430 11.8430 11.8714 11.8714 k = 0.5000 0.5000 0.3672 ( 2856 PWs) bands (ev): -20.9158 -20.9158 -8.7313 -8.7313 -5.8690 -5.8690 -5.1247 -5.1247 -4.9519 -4.9519 -3.5874 -3.5874 0.2543 0.2543 0.4248 0.4248 1.5336 1.5336 2.1579 2.1579 2.6776 2.6776 3.0618 3.0618 4.0104 4.0104 4.1482 4.1482 6.0890 6.0890 6.4330 6.4330 11.8518 11.8518 11.9460 11.9460 k = 0.5000 0.5000 0.3803 ( 2840 PWs) bands (ev): -20.9158 -20.9158 -8.7286 -8.7286 -5.8691 -5.8691 -5.1249 -5.1249 -4.9524 -4.9524 -3.6007 -3.6007 0.2507 0.2507 0.4213 0.4213 1.5326 1.5326 2.1903 2.1903 2.6780 2.6780 3.0522 3.0522 4.0353 4.0353 4.1771 4.1771 6.0562 6.0562 6.3989 6.3989 11.8375 11.8375 12.0388 12.0388 k = 0.5000 0.5000 0.3934 ( 2840 PWs) bands (ev): -20.9158 -20.9158 -8.7270 -8.7270 -5.8692 -5.8692 -5.1249 -5.1249 -4.9527 -4.9527 -3.6087 -3.6087 0.2485 0.2485 0.4191 0.4191 1.5320 1.5320 2.2103 2.2103 2.6783 2.6783 3.0458 3.0458 4.0507 4.0507 4.1949 4.1949 6.0360 6.0360 6.3781 6.3781 11.8287 11.8287 12.1088 12.1088 k = 0.5000 0.5000 0.4066 ( 2832 PWs) bands (ev): -20.9158 -20.9158 -8.7264 -8.7264 -5.8693 -5.8693 -5.1250 -5.1250 -4.9528 -4.9528 -3.6114 -3.6114 0.2477 0.2477 0.4184 0.4184 1.5318 1.5318 2.2171 2.2171 2.6784 2.6784 3.0436 3.0436 4.0560 4.0560 4.2009 4.2009 6.0292 6.0292 6.3710 6.3710 11.8258 11.8258 12.1362 12.1362 Writing output data file RbAuC2.save init_run : 0.39s CPU 0.94s WALL ( 1 calls) electrons : 104.24s CPU 107.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.21s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 104.22s CPU 107.64s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 360 calls) cegterg : 96.12s CPU 97.58s WALL ( 551 calls) Called by sum_band: Called by *egterg: h_psi : 52.81s CPU 53.99s WALL ( 9172 calls) s_psi : 3.05s CPU 2.96s WALL ( 9172 calls) g_psi : 0.17s CPU 0.15s WALL ( 8261 calls) cdiaghg : 38.46s CPU 38.83s WALL ( 8621 calls) cegterg:over : 2.96s CPU 3.10s WALL ( 8261 calls) cegterg:upda : 2.34s CPU 2.38s WALL ( 8261 calls) cegterg:last : 1.37s CPU 1.48s WALL ( 1577 calls) cdiaghg:chol : 2.07s CPU 2.06s WALL ( 8621 calls) cdiaghg:inve : 1.07s CPU 1.10s WALL ( 8621 calls) cdiaghg:para : 2.30s CPU 2.26s WALL ( 17242 calls) Called by h_psi: h_psi:vloc : 47.19s CPU 48.32s WALL ( 9172 calls) h_psi:vnl : 5.50s CPU 5.56s WALL ( 9172 calls) add_vuspsi : 2.90s CPU 2.85s WALL ( 9172 calls) General routines calbec : 2.58s CPU 2.68s WALL ( 9172 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.82s CPU 44.83s WALL ( 668164 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.14s WALL ( 720 calls) Parallel routines fft_scatter : 17.14s CPU 17.73s WALL ( 668187 calls) PWSCF : 1m56.22s CPU 2m29.03s WALL This run was terminated on: 16: 9:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=