Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:34:50 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./CuBxCNx4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 76 43 12 2995 1259 196 Max 78 44 13 3000 1271 201 Sum 2741 1549 437 107903 45553 7123 bravais-lattice index = 14 lattice parameter (alat) = 10.2639 a.u. unit-cell volume = 1081.2643 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.263858 celldm(2)= 1.000000 celldm(3)= 1.000000 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 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 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. # 4 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 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 N 5.00 14.00670 N( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops. (no 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 = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) 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 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6S4 -6S4 6s_d -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 G_7 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 5 7 8 6 12 9 10 11 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -5 -7 -8 -6 -12 -9 -10 -11 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 6S4 15 16 20 19 23 24 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -15 -16 -20 -19 -23 -24 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 226 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044248 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044248 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044248 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044248 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044248 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044248 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044248 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044248 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044248 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044248 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044248 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044248 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044248 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044248 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044248 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044248 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044248 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044248 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044248 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044248 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044248 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044248 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044248 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044248 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044248 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044248 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044248 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044248 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044248 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044248 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044248 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044248 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044248 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044248 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044248 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044248 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044248 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044248 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044248 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044248 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044248 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044248 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044248 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044248 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044248 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044248 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044248 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044248 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044248 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044248 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044248 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044248 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044248 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044248 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044248 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044248 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044248 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044248 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044248 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044248 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044248 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044248 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044248 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044248 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044248 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044248 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044248 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044248 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044248 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044248 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044248 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044248 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044248 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044248 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044248 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044248 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044248 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044248 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044248 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044248 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044248 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044248 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044248 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044248 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044248 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044248 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044248 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044248 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044248 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044248 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044248 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044248 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044248 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044248 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044248 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044248 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044248 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044248 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044248 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044248 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 104) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0044248 k( 105) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0044248 k( 106) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0044248 k( 107) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0044248 k( 108) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0044248 k( 109) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0044248 k( 110) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0044248 k( 111) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0044248 k( 112) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0044248 k( 113) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0044248 k( 114) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0044248 k( 115) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0044248 k( 116) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0044248 k( 117) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0044248 k( 118) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0044248 k( 119) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0044248 k( 120) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0044248 k( 121) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0044248 k( 122) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0044248 k( 123) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0044248 k( 124) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0044248 k( 125) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0044248 k( 126) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0044248 k( 127) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0044248 k( 128) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0044248 k( 129) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0044248 k( 130) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0044248 k( 131) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0044248 k( 132) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0044248 k( 133) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0044248 k( 134) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0044248 k( 135) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0044248 k( 136) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0044248 k( 137) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0044248 k( 138) = ( 0.3431373 0.3431372 0.3431372), wk = 0.0044248 k( 139) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0044248 k( 140) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0044248 k( 141) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0044248 k( 142) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0044248 k( 143) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0044248 k( 144) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0044248 k( 145) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0044248 k( 146) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0044248 k( 147) = ( 0.4313726 0.4313725 0.4313725), wk = 0.0044248 k( 148) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0044248 k( 149) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0044248 k( 150) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0044248 k( 151) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0044248 k( 152) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0044248 k( 153) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0044248 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 k( 156) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044248 k( 157) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044248 k( 158) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044248 k( 159) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044248 k( 160) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044248 k( 161) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044248 k( 162) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044248 k( 163) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044248 k( 164) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044248 k( 165) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044248 k( 166) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044248 k( 167) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044248 k( 168) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044248 k( 169) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044248 k( 170) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044248 k( 171) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044248 k( 172) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044248 k( 173) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044248 k( 174) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044248 k( 175) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044248 k( 176) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044248 k( 177) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044248 k( 178) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044248 k( 179) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044248 k( 180) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044248 k( 181) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044248 k( 182) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044248 k( 183) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044248 k( 184) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044248 k( 185) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044248 k( 186) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044248 k( 187) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044248 k( 188) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044248 k( 189) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044248 k( 190) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044248 k( 191) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044248 k( 192) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044248 k( 193) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044248 k( 194) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044248 k( 195) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044248 k( 196) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044248 k( 197) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044248 k( 198) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044248 k( 199) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044248 k( 200) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044248 k( 201) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044248 k( 202) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044248 k( 203) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044248 k( 204) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044248 k( 205) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044248 k( 206) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044248 k( 207) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044248 k( 208) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044248 k( 209) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044248 k( 210) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044248 k( 211) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044248 k( 212) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044248 k( 213) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044248 k( 214) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044248 k( 215) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044248 k( 216) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044248 k( 217) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044248 k( 218) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044248 k( 219) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044248 k( 220) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044248 k( 221) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044248 k( 222) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044248 k( 223) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044248 k( 224) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044248 k( 225) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044248 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044248 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044248 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044248 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044248 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044248 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044248 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044248 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044248 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044248 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044248 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044248 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044248 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044248 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044248 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044248 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044248 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044248 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044248 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044248 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044248 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044248 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044248 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044248 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044248 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044248 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044248 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044248 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044248 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044248 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044248 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044248 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044248 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044248 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044248 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044248 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044248 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044248 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044248 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044248 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044248 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044248 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044248 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044248 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044248 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044248 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044248 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044248 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044248 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044248 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044248 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044248 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044248 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044248 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044248 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044248 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044248 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044248 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044248 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044248 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044248 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044248 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044248 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044248 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044248 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044248 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044248 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044248 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044248 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044248 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044248 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044248 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044248 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044248 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044248 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044248 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044248 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044248 k( 79) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0044248 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044248 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044248 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044248 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044248 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044248 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044248 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044248 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044248 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044248 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044248 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044248 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044248 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044248 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044248 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044248 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044248 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044248 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044248 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044248 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044248 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044248 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044248 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 104) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0044248 k( 105) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0044248 k( 106) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0044248 k( 107) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0044248 k( 108) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0044248 k( 109) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0044248 k( 110) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0044248 k( 111) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0044248 k( 112) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0044248 k( 113) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0044248 k( 114) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0044248 k( 115) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0044248 k( 116) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0044248 k( 117) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0044248 k( 118) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0044248 k( 119) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0044248 k( 120) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0044248 k( 121) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0044248 k( 122) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0044248 k( 123) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0044248 k( 124) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0044248 k( 125) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0044248 k( 126) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0044248 k( 127) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0044248 k( 128) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0044248 k( 129) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0044248 k( 130) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0044248 k( 131) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0044248 k( 132) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0044248 k( 133) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0044248 k( 134) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0044248 k( 135) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0044248 k( 136) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0044248 k( 137) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0044248 k( 138) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0044248 k( 139) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0044248 k( 140) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0044248 k( 141) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0044248 k( 142) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0044248 k( 143) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0044248 k( 144) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0044248 k( 145) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0044248 k( 146) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0044248 k( 147) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0044248 k( 148) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0044248 k( 149) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0044248 k( 150) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0044248 k( 151) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0044248 k( 152) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0044248 k( 153) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0044248 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 k( 156) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044248 k( 157) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044248 k( 158) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044248 k( 159) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044248 k( 160) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044248 k( 161) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044248 k( 162) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044248 k( 163) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044248 k( 164) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044248 k( 165) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044248 k( 166) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044248 k( 167) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044248 k( 168) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044248 k( 169) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044248 k( 170) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044248 k( 171) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044248 k( 172) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044248 k( 173) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044248 k( 174) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044248 k( 175) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044248 k( 176) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044248 k( 177) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044248 k( 178) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044248 k( 179) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044248 k( 180) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044248 k( 181) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044248 k( 182) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044248 k( 183) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044248 k( 184) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044248 k( 185) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044248 k( 186) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044248 k( 187) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044248 k( 188) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044248 k( 189) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044248 k( 190) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044248 k( 191) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044248 k( 192) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044248 k( 193) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044248 k( 194) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044248 k( 195) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044248 k( 196) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044248 k( 197) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044248 k( 198) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044248 k( 199) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044248 k( 200) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044248 k( 201) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044248 k( 202) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044248 k( 203) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044248 k( 204) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044248 k( 205) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044248 k( 206) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044248 k( 207) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044248 k( 208) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044248 k( 209) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044248 k( 210) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044248 k( 211) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044248 k( 212) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044248 k( 213) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044248 k( 214) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044248 k( 215) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044248 k( 216) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044248 k( 217) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044248 k( 218) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044248 k( 219) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044248 k( 220) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044248 k( 221) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044248 k( 222) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044248 k( 223) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044248 k( 224) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044248 k( 225) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044248 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 Dense grid: 107903 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 45553 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 324, 60) NL pseudopotentials 0.40 Mb ( 162, 160) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2998) G-vector shells 0.00 Mb ( 578) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 324, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.29 Mb ( 160, 2, 60) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./CuBxCNx4.save/charge-density.dat Starting wfc are 90 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.1 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.3 secs Computing kpt #: 16 total cpu time spent up to now is 11.9 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 14.9 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 16.1 secs Computing kpt #: 24 total cpu time spent up to now is 16.7 secs Computing kpt #: 25 total cpu time spent up to now is 17.4 secs Computing kpt #: 26 total cpu time spent up to now is 18.0 secs Computing kpt #: 27 total cpu time spent up to now is 18.6 secs Computing kpt #: 28 total cpu time spent up to now is 19.2 secs Computing kpt #: 29 total cpu time spent up to now is 19.8 secs Computing kpt #: 30 total cpu time spent up to now is 20.4 secs Computing kpt #: 31 total cpu time spent up to now is 20.9 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.2 secs Computing kpt #: 34 total cpu time spent up to now is 22.8 secs Computing kpt #: 35 total cpu time spent up to now is 23.4 secs Computing kpt #: 36 total cpu time spent up to now is 24.0 secs Computing kpt #: 37 total cpu time spent up to now is 24.6 secs Computing kpt #: 38 total cpu time spent up to now is 25.2 secs Computing kpt #: 39 total cpu time spent up to now is 25.8 secs Computing kpt #: 40 total cpu time spent up to now is 26.4 secs Computing kpt #: 41 total cpu time spent up to now is 27.0 secs Computing kpt #: 42 total cpu time spent up to now is 27.6 secs Computing kpt #: 43 total cpu time spent up to now is 28.2 secs Computing kpt #: 44 total cpu time spent up to now is 28.8 secs Computing kpt #: 45 total cpu time spent up to now is 29.4 secs Computing kpt #: 46 total cpu time spent up to now is 30.1 secs Computing kpt #: 47 total cpu time spent up to now is 30.7 secs Computing kpt #: 48 total cpu time spent up to now is 31.3 secs Computing kpt #: 49 total cpu time spent up to now is 31.9 secs Computing kpt #: 50 total cpu time spent up to now is 32.5 secs Computing kpt #: 51 total cpu time spent up to now is 33.1 secs Computing kpt #: 52 total cpu time spent up to now is 33.7 secs Computing kpt #: 53 total cpu time spent up to now is 34.3 secs Computing kpt #: 54 total cpu time spent up to now is 34.9 secs Computing kpt #: 55 total cpu time spent up to now is 35.5 secs Computing kpt #: 56 total cpu time spent up to now is 36.2 secs Computing kpt #: 57 total cpu time spent up to now is 36.8 secs Computing kpt #: 58 total cpu time spent up to now is 37.4 secs Computing kpt #: 59 total cpu time spent up to now is 38.1 secs Computing kpt #: 60 total cpu time spent up to now is 38.6 secs Computing kpt #: 61 total cpu time spent up to now is 39.3 secs Computing kpt #: 62 total cpu time spent up to now is 39.9 secs Computing kpt #: 63 total cpu time spent up to now is 40.5 secs Computing kpt #: 64 total cpu time spent up to now is 41.1 secs Computing kpt #: 65 total cpu time spent up to now is 41.7 secs Computing kpt #: 66 total cpu time spent up to now is 42.3 secs Computing kpt #: 67 total cpu time spent up to now is 42.9 secs Computing kpt #: 68 total cpu time spent up to now is 43.5 secs Computing kpt #: 69 total cpu time spent up to now is 44.1 secs Computing kpt #: 70 total cpu time spent up to now is 44.7 secs Computing kpt #: 71 total cpu time spent up to now is 45.3 secs Computing kpt #: 72 total cpu time spent up to now is 45.9 secs Computing kpt #: 73 total cpu time spent up to now is 46.5 secs Computing kpt #: 74 total cpu time spent up to now is 47.1 secs Computing kpt #: 75 total cpu time spent up to now is 47.7 secs Computing kpt #: 76 total cpu time spent up to now is 48.3 secs Computing kpt #: 77 total cpu time spent up to now is 48.9 secs Computing kpt #: 78 total cpu time spent up to now is 49.5 secs Computing kpt #: 79 total cpu time spent up to now is 50.1 secs Computing kpt #: 80 total cpu time spent up to now is 50.7 secs Computing kpt #: 81 total cpu time spent up to now is 51.3 secs Computing kpt #: 82 total cpu time spent up to now is 52.0 secs Computing kpt #: 83 total cpu time spent up to now is 52.6 secs Computing kpt #: 84 total cpu time spent up to now is 53.2 secs Computing kpt #: 85 total cpu time spent up to now is 53.9 secs Computing kpt #: 86 total cpu time spent up to now is 54.5 secs Computing kpt #: 87 total cpu time spent up to now is 55.1 secs Computing kpt #: 88 total cpu time spent up to now is 55.7 secs Computing kpt #: 89 total cpu time spent up to now is 56.3 secs Computing kpt #: 90 total cpu time spent up to now is 56.9 secs Computing kpt #: 91 total cpu time spent up to now is 57.5 secs Computing kpt #: 92 total cpu time spent up to now is 58.1 secs Computing kpt #: 93 total cpu time spent up to now is 58.7 secs Computing kpt #: 94 total cpu time spent up to now is 59.3 secs Computing kpt #: 95 total cpu time spent up to now is 59.9 secs Computing kpt #: 96 total cpu time spent up to now is 60.5 secs Computing kpt #: 97 total cpu time spent up to now is 61.1 secs Computing kpt #: 98 total cpu time spent up to now is 61.6 secs Computing kpt #: 99 total cpu time spent up to now is 62.3 secs Computing kpt #: 100 total cpu time spent up to now is 62.9 secs Computing kpt #: 101 total cpu time spent up to now is 63.5 secs Computing kpt #: 102 total cpu time spent up to now is 64.1 secs Computing kpt #: 103 total cpu time spent up to now is 64.7 secs Computing kpt #: 104 total cpu time spent up to now is 65.3 secs Computing kpt #: 105 total cpu time spent up to now is 65.9 secs Computing kpt #: 106 total cpu time spent up to now is 66.5 secs Computing kpt #: 107 total cpu time spent up to now is 67.1 secs Computing kpt #: 108 total cpu time spent up to now is 67.7 secs Computing kpt #: 109 total cpu time spent up to now is 68.3 secs Computing kpt #: 110 total cpu time spent up to now is 68.9 secs Computing kpt #: 111 total cpu time spent up to now is 69.5 secs Computing kpt #: 112 total cpu time spent up to now is 70.1 secs Computing kpt #: 113 total cpu time spent up to now is 70.7 secs Computing kpt #: 114 total cpu time spent up to now is 71.3 secs Computing kpt #: 115 total cpu time spent up to now is 71.9 secs Computing kpt #: 116 total cpu time spent up to now is 72.5 secs Computing kpt #: 117 total cpu time spent up to now is 73.1 secs Computing kpt #: 118 total cpu time spent up to now is 73.6 secs Computing kpt #: 119 total cpu time spent up to now is 74.3 secs Computing kpt #: 120 total cpu time spent up to now is 74.9 secs Computing kpt #: 121 total cpu time spent up to now is 75.5 secs Computing kpt #: 122 total cpu time spent up to now is 76.1 secs Computing kpt #: 123 total cpu time spent up to now is 76.7 secs Computing kpt #: 124 total cpu time spent up to now is 77.3 secs Computing kpt #: 125 total cpu time spent up to now is 77.9 secs Computing kpt #: 126 total cpu time spent up to now is 78.5 secs Computing kpt #: 127 total cpu time spent up to now is 79.0 secs Computing kpt #: 128 total cpu time spent up to now is 79.7 secs Computing kpt #: 129 total cpu time spent up to now is 80.2 secs Computing kpt #: 130 total cpu time spent up to now is 80.9 secs Computing kpt #: 131 total cpu time spent up to now is 81.5 secs Computing kpt #: 132 total cpu time spent up to now is 82.0 secs Computing kpt #: 133 total cpu time spent up to now is 82.6 secs Computing kpt #: 134 total cpu time spent up to now is 83.2 secs Computing kpt #: 135 total cpu time spent up to now is 83.8 secs Computing kpt #: 136 total cpu time spent up to now is 84.4 secs Computing kpt #: 137 total cpu time spent up to now is 85.1 secs Computing kpt #: 138 total cpu time spent up to now is 85.7 secs Computing kpt #: 139 total cpu time spent up to now is 86.3 secs Computing kpt #: 140 total cpu time spent up to now is 86.8 secs Computing kpt #: 141 total cpu time spent up to now is 87.4 secs Computing kpt #: 142 total cpu time spent up to now is 88.1 secs Computing kpt #: 143 total cpu time spent up to now is 88.7 secs Computing kpt #: 144 total cpu time spent up to now is 89.2 secs Computing kpt #: 145 total cpu time spent up to now is 89.8 secs Computing kpt #: 146 total cpu time spent up to now is 90.4 secs Computing kpt #: 147 total cpu time spent up to now is 91.0 secs Computing kpt #: 148 total cpu time spent up to now is 91.6 secs Computing kpt #: 149 total cpu time spent up to now is 92.2 secs Computing kpt #: 150 total cpu time spent up to now is 92.8 secs Computing kpt #: 151 total cpu time spent up to now is 93.4 secs Computing kpt #: 152 total cpu time spent up to now is 94.0 secs Computing kpt #: 153 total cpu time spent up to now is 94.5 secs Computing kpt #: 154 total cpu time spent up to now is 95.1 secs Computing kpt #: 155 total cpu time spent up to now is 95.6 secs Computing kpt #: 156 total cpu time spent up to now is 96.2 secs Computing kpt #: 157 total cpu time spent up to now is 96.8 secs Computing kpt #: 158 total cpu time spent up to now is 97.3 secs Computing kpt #: 159 total cpu time spent up to now is 97.9 secs Computing kpt #: 160 total cpu time spent up to now is 98.5 secs Computing kpt #: 161 total cpu time spent up to now is 99.0 secs Computing kpt #: 162 total cpu time spent up to now is 99.6 secs Computing kpt #: 163 total cpu time spent up to now is 100.2 secs Computing kpt #: 164 total cpu time spent up to now is 100.8 secs Computing kpt #: 165 total cpu time spent up to now is 101.4 secs Computing kpt #: 166 total cpu time spent up to now is 102.0 secs Computing kpt #: 167 total cpu time spent up to now is 102.6 secs Computing kpt #: 168 total cpu time spent up to now is 103.2 secs Computing kpt #: 169 total cpu time spent up to now is 103.8 secs Computing kpt #: 170 total cpu time spent up to now is 104.4 secs Computing kpt #: 171 total cpu time spent up to now is 105.0 secs Computing kpt #: 172 total cpu time spent up to now is 105.6 secs Computing kpt #: 173 total cpu time spent up to now is 106.2 secs Computing kpt #: 174 total cpu time spent up to now is 106.8 secs Computing kpt #: 175 total cpu time spent up to now is 107.4 secs Computing kpt #: 176 total cpu time spent up to now is 108.1 secs Computing kpt #: 177 total cpu time spent up to now is 108.7 secs Computing kpt #: 178 total cpu time spent up to now is 109.3 secs Computing kpt #: 179 total cpu time spent up to now is 109.9 secs Computing kpt #: 180 total cpu time spent up to now is 110.5 secs Computing kpt #: 181 total cpu time spent up to now is 111.2 secs Computing kpt #: 182 total cpu time spent up to now is 111.8 secs Computing kpt #: 183 total cpu time spent up to now is 112.5 secs Computing kpt #: 184 total cpu time spent up to now is 113.1 secs Computing kpt #: 185 total cpu time spent up to now is 113.7 secs Computing kpt #: 186 total cpu time spent up to now is 114.3 secs Computing kpt #: 187 total cpu time spent up to now is 114.9 secs Computing kpt #: 188 total cpu time spent up to now is 115.5 secs Computing kpt #: 189 total cpu time spent up to now is 116.1 secs Computing kpt #: 190 total cpu time spent up to now is 116.6 secs Computing kpt #: 191 total cpu time spent up to now is 117.3 secs Computing kpt #: 192 total cpu time spent up to now is 117.8 secs Computing kpt #: 193 total cpu time spent up to now is 118.4 secs Computing kpt #: 194 total cpu time spent up to now is 119.0 secs Computing kpt #: 195 total cpu time spent up to now is 119.6 secs Computing kpt #: 196 total cpu time spent up to now is 120.2 secs Computing kpt #: 197 total cpu time spent up to now is 120.9 secs Computing kpt #: 198 total cpu time spent up to now is 121.5 secs Computing kpt #: 199 total cpu time spent up to now is 122.1 secs Computing kpt #: 200 total cpu time spent up to now is 122.7 secs Computing kpt #: 201 total cpu time spent up to now is 123.3 secs Computing kpt #: 202 total cpu time spent up to now is 123.9 secs Computing kpt #: 203 total cpu time spent up to now is 124.5 secs Computing kpt #: 204 total cpu time spent up to now is 125.1 secs Computing kpt #: 205 total cpu time spent up to now is 125.7 secs Computing kpt #: 206 total cpu time spent up to now is 126.3 secs Computing kpt #: 207 total cpu time spent up to now is 126.9 secs Computing kpt #: 208 total cpu time spent up to now is 127.5 secs Computing kpt #: 209 total cpu time spent up to now is 128.0 secs Computing kpt #: 210 total cpu time spent up to now is 128.6 secs Computing kpt #: 211 total cpu time spent up to now is 129.2 secs Computing kpt #: 212 total cpu time spent up to now is 129.8 secs Computing kpt #: 213 total cpu time spent up to now is 130.4 secs Computing kpt #: 214 total cpu time spent up to now is 131.0 secs Computing kpt #: 215 total cpu time spent up to now is 131.6 secs Computing kpt #: 216 total cpu time spent up to now is 132.2 secs Computing kpt #: 217 total cpu time spent up to now is 132.8 secs Computing kpt #: 218 total cpu time spent up to now is 133.4 secs Computing kpt #: 219 total cpu time spent up to now is 134.0 secs Computing kpt #: 220 total cpu time spent up to now is 134.6 secs Computing kpt #: 221 total cpu time spent up to now is 135.2 secs Computing kpt #: 222 total cpu time spent up to now is 135.8 secs Computing kpt #: 223 total cpu time spent up to now is 136.4 secs Computing kpt #: 224 total cpu time spent up to now is 137.0 secs Computing kpt #: 225 total cpu time spent up to now is 137.5 secs Computing kpt #: 226 total cpu time spent up to now is 138.1 secs ethr = 2.00E-08, avg # of iterations = 12.2 total cpu time spent up to now is 138.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -17.0604 -17.0604 -16.8009 -16.8009 -16.8003 -16.8003 -16.8003 -16.8003 -10.6596 -10.6596 -6.4605 -6.4605 -6.4581 -6.4581 -6.4581 -6.4581 -5.6765 -5.6765 -4.1925 -4.1925 -4.1893 -4.1893 -4.1893 -4.1893 -3.5329 -3.5329 -3.5329 -3.5329 -2.4445 -2.4445 -2.4371 -2.4371 -2.4371 -2.4371 -2.3519 -2.3519 -2.3432 -2.3432 -2.3432 -2.3432 0.5681 0.5681 0.5681 0.5681 1.1060 1.1060 1.1060 1.1060 1.2118 1.2118 4.7157 4.7157 4.7157 4.7157 4.7236 4.7236 5.2470 5.2470 5.2470 5.2470 k = 0.0000 0.0172-0.0000 ( 5699 PWs) bands (ev): -17.0602 -17.0602 -16.8010 -16.8010 -16.8004 -16.8004 -16.8003 -16.8003 -10.6595 -10.6595 -6.4612 -6.4612 -6.4589 -6.4589 -6.4581 -6.4581 -5.6748 -5.6748 -4.1931 -4.1931 -4.1901 -4.1901 -4.1894 -4.1894 -3.5324 -3.5324 -3.5316 -3.5316 -2.4450 -2.4450 -2.4380 -2.4380 -2.4374 -2.4374 -2.3520 -2.3520 -2.3435 -2.3435 -2.3429 -2.3429 0.5680 0.5680 0.5689 0.5689 1.1060 1.1060 1.1070 1.1070 1.2123 1.2123 4.7156 4.7156 4.7160 4.7160 4.7237 4.7237 5.2468 5.2468 5.2474 5.2474 k = 0.0000 0.0345-0.0000 ( 5707 PWs) bands (ev): -17.0597 -17.0597 -16.8014 -16.8014 -16.8006 -16.8006 -16.8003 -16.8003 -10.6593 -10.6593 -6.4649 -6.4649 -6.4595 -6.4595 -6.4582 -6.4582 -5.6695 -5.6695 -4.1958 -4.1958 -4.1911 -4.1911 -4.1896 -4.1896 -3.5305 -3.5305 -3.5279 -3.5279 -2.4470 -2.4470 -2.4401 -2.4401 -2.4384 -2.4384 -2.3525 -2.3525 -2.3443 -2.3443 -2.3423 -2.3423 0.5683 0.5683 0.5704 0.5704 1.1070 1.1070 1.1090 1.1090 1.2138 1.2138 4.7159 4.7159 4.7167 4.7167 4.7241 4.7241 5.2462 5.2462 5.2487 5.2487 k = 0.0000 0.0517-0.0000 ( 5691 PWs) bands (ev): -17.0589 -17.0589 -16.8022 -16.8022 -16.8006 -16.8006 -16.8003 -16.8003 -10.6589 -10.6589 -6.4717 -6.4717 -6.4597 -6.4597 -6.4583 -6.4583 -5.6609 -5.6609 -4.2013 -4.2013 -4.1917 -4.1917 -4.1898 -4.1898 -3.5274 -3.5274 -3.5218 -3.5218 -2.4508 -2.4508 -2.4431 -2.4431 -2.4401 -2.4401 -2.3543 -2.3543 -2.3448 -2.3448 -2.3413 -2.3413 0.5690 0.5690 0.5727 0.5727 1.1089 1.1089 1.1120 1.1120 1.2164 1.2164 4.7164 4.7164 4.7177 4.7177 4.7249 4.7249 5.2453 5.2453 5.2509 5.2509 k = 0.0000 0.0690-0.0000 ( 5683 PWs) bands (ev): -17.0577 -17.0577 -16.8034 -16.8034 -16.8006 -16.8006 -16.8003 -16.8003 -10.6583 -10.6583 -6.4811 -6.4811 -6.4599 -6.4599 -6.4584 -6.4584 -5.6493 -5.6493 -4.2092 -4.2092 -4.1922 -4.1922 -4.1902 -4.1902 -3.5231 -3.5231 -3.5134 -3.5134 -2.4570 -2.4570 -2.4461 -2.4461 -2.4423 -2.4423 -2.3580 -2.3580 -2.3445 -2.3445 -2.3399 -2.3399 0.5701 0.5701 0.5758 0.5758 1.1116 1.1116 1.1161 1.1161 1.2200 1.2200 4.7173 4.7173 4.7190 4.7190 4.7260 4.7260 5.2440 5.2440 5.2539 5.2539 k = 0.0000 0.0862-0.0000 ( 5674 PWs) bands (ev): -17.0562 -17.0562 -16.8049 -16.8049 -16.8006 -16.8006 -16.8002 -16.8002 -10.6576 -10.6576 -6.4927 -6.4927 -6.4601 -6.4601 -6.4585 -6.4585 -5.6348 -5.6348 -4.2191 -4.2191 -4.1927 -4.1927 -4.1907 -4.1907 -3.5176 -3.5176 -3.5030 -3.5030 -2.4656 -2.4656 -2.4494 -2.4494 -2.4451 -2.4451 -2.3634 -2.3634 -2.3434 -2.3434 -2.3384 -2.3384 0.5714 0.5714 0.5797 0.5797 1.1151 1.1151 1.1212 1.1212 1.2246 1.2246 4.7184 4.7184 4.7206 4.7206 4.7274 4.7274 5.2422 5.2422 5.2577 5.2577 k = 0.0000 0.1034-0.0000 ( 5662 PWs) bands (ev): -17.0544 -17.0544 -16.8068 -16.8068 -16.8006 -16.8006 -16.8002 -16.8002 -10.6568 -10.6568 -6.5062 -6.5062 -6.4602 -6.4602 -6.4587 -6.4587 -5.6179 -5.6179 -4.2308 -4.2308 -4.1933 -4.1933 -4.1913 -4.1913 -3.5109 -3.5109 -3.4907 -3.4907 -2.4762 -2.4762 -2.4528 -2.4528 -2.4483 -2.4483 -2.3703 -2.3703 -2.3419 -2.3419 -2.3366 -2.3366 0.5730 0.5730 0.5843 0.5843 1.1194 1.1194 1.1272 1.1272 1.2301 1.2301 4.7198 4.7198 4.7225 4.7225 4.7294 4.7294 5.2400 5.2400 5.2623 5.2623 k = 0.0000 0.1207-0.0000 ( 5674 PWs) bands (ev): -17.0522 -17.0522 -16.8091 -16.8091 -16.8006 -16.8006 -16.8002 -16.8002 -10.6559 -10.6559 -6.5212 -6.5212 -6.4604 -6.4604 -6.4589 -6.4589 -5.5989 -5.5989 -4.2440 -4.2440 -4.1940 -4.1940 -4.1920 -4.1920 -3.5030 -3.5030 -3.4768 -3.4768 -2.4888 -2.4888 -2.4565 -2.4565 -2.4518 -2.4518 -2.3784 -2.3784 -2.3401 -2.3401 -2.3347 -2.3347 0.5748 0.5748 0.5896 0.5896 1.1243 1.1243 1.1340 1.1340 1.2364 1.2364 4.7215 4.7215 4.7246 4.7246 4.7319 4.7319 5.2373 5.2373 5.2676 5.2676 k = 0.0000 0.1379-0.0000 ( 5662 PWs) bands (ev): -17.0498 -17.0498 -16.8116 -16.8116 -16.8005 -16.8005 -16.8001 -16.8001 -10.6548 -10.6548 -6.5373 -6.5373 -6.4607 -6.4607 -6.4591 -6.4591 -5.5781 -5.5781 -4.2585 -4.2585 -4.1947 -4.1947 -4.1927 -4.1927 -3.4939 -3.4939 -3.4615 -3.4615 -2.5031 -2.5031 -2.4603 -2.4603 -2.4556 -2.4556 -2.3878 -2.3878 -2.3382 -2.3382 -2.3327 -2.3327 0.5769 0.5769 0.5954 0.5954 1.1298 1.1298 1.1418 1.1418 1.2436 1.2436 4.7233 4.7233 4.7268 4.7268 4.7352 4.7352 5.2341 5.2341 5.2737 5.2737 k = 0.0000 0.1552-0.0000 ( 5662 PWs) bands (ev): -17.0470 -17.0470 -16.8145 -16.8145 -16.8005 -16.8005 -16.8001 -16.8001 -10.6536 -10.6536 -6.5544 -6.5544 -6.4609 -6.4609 -6.4593 -6.4593 -5.5558 -5.5558 -4.2741 -4.2741 -4.1956 -4.1956 -4.1936 -4.1936 -3.4837 -3.4837 -3.4450 -3.4450 -2.5191 -2.5191 -2.4644 -2.4644 -2.4597 -2.4597 -2.3982 -2.3982 -2.3363 -2.3363 -2.3306 -2.3306 0.5791 0.5791 0.6019 0.6019 1.1357 1.1357 1.1503 1.1503 1.2515 1.2515 4.7253 4.7253 4.7290 4.7290 4.7393 4.7393 5.2303 5.2303 5.2804 5.2804 k = 0.0000 0.1724-0.0000 ( 5670 PWs) bands (ev): -17.0440 -17.0440 -16.8177 -16.8177 -16.8004 -16.8004 -16.8000 -16.8000 -10.6524 -10.6524 -6.5720 -6.5720 -6.4612 -6.4612 -6.4596 -6.4596 -5.5324 -5.5324 -4.2907 -4.2907 -4.1964 -4.1964 -4.1945 -4.1945 -3.4723 -3.4723 -3.4274 -3.4274 -2.5366 -2.5366 -2.4686 -2.4686 -2.4639 -2.4639 -2.4097 -2.4097 -2.3343 -2.3343 -2.3286 -2.3286 0.5815 0.5815 0.6087 0.6087 1.1421 1.1421 1.1594 1.1594 1.2601 1.2601 4.7274 4.7274 4.7313 4.7313 4.7442 4.7442 5.2259 5.2259 5.2877 5.2877 k = 0.0000 0.1897-0.0000 ( 5678 PWs) bands (ev): -17.0407 -17.0407 -16.8211 -16.8211 -16.8004 -16.8004 -16.8000 -16.8000 -10.6510 -10.6510 -6.5900 -6.5900 -6.4615 -6.4615 -6.4599 -6.4599 -5.5081 -5.5081 -4.3079 -4.3079 -4.1974 -4.1974 -4.1955 -4.1955 -3.4598 -3.4598 -3.4091 -3.4091 -2.5556 -2.5556 -2.4728 -2.4728 -2.4681 -2.4681 -2.4221 -2.4221 -2.3324 -2.3324 -2.3267 -2.3267 0.5841 0.5841 0.6160 0.6160 1.1487 1.1487 1.1690 1.1690 1.2692 1.2692 4.7297 4.7297 4.7337 4.7337 4.7501 4.7501 5.2208 5.2208 5.2955 5.2955 k = 0.0000 0.2069-0.0000 ( 5686 PWs) bands (ev): -17.0371 -17.0371 -16.8248 -16.8248 -16.8003 -16.8003 -16.7999 -16.7999 -10.6496 -10.6496 -6.6081 -6.6081 -6.4618 -6.4618 -6.4601 -6.4601 -5.4832 -5.4832 -4.3256 -4.3256 -4.1983 -4.1983 -4.1965 -4.1965 -3.4462 -3.4462 -3.3901 -3.3901 -2.5760 -2.5760 -2.4771 -2.4771 -2.4725 -2.4725 -2.4354 -2.4354 -2.3305 -2.3305 -2.3248 -2.3248 0.5868 0.5868 0.6235 0.6235 1.1556 1.1556 1.1792 1.1792 1.2789 1.2789 4.7321 4.7321 4.7361 4.7361 4.7569 4.7569 5.2151 5.2151 5.3037 5.3037 k = 0.0000 0.2241-0.0000 ( 5686 PWs) bands (ev): -17.0333 -17.0333 -16.8288 -16.8288 -16.8003 -16.8003 -16.7999 -16.7999 -10.6482 -10.6482 -6.6260 -6.6260 -6.4621 -6.4621 -6.4604 -6.4604 -5.4580 -5.4580 -4.3437 -4.3437 -4.1993 -4.1993 -4.1975 -4.1975 -3.4316 -3.4316 -3.3706 -3.3706 -2.5976 -2.5976 -2.4814 -2.4814 -2.4769 -2.4769 -2.4493 -2.4493 -2.3287 -2.3287 -2.3230 -2.3230 0.5896 0.5896 0.6312 0.6312 1.1627 1.1627 1.1897 1.1897 1.2889 1.2889 4.7346 4.7346 4.7386 4.7386 4.7647 4.7647 5.2086 5.2086 5.3123 5.3123 k = 0.0000 0.2414-0.0000 ( 5694 PWs) bands (ev): -17.0293 -17.0293 -16.8330 -16.8330 -16.8002 -16.8002 -16.7998 -16.7998 -10.6467 -10.6467 -6.6436 -6.6436 -6.4624 -6.4624 -6.4607 -6.4607 -5.4327 -5.4327 -4.3620 -4.3620 -4.2003 -4.2003 -4.1985 -4.1985 -3.4159 -3.4159 -3.3507 -3.3507 -2.6202 -2.6202 -2.4855 -2.4855 -2.4814 -2.4814 -2.4637 -2.4637 -2.3269 -2.3269 -2.3213 -2.3213 0.5924 0.5924 0.6389 0.6389 1.1697 1.1697 1.2004 1.2004 1.2992 1.2992 4.7371 4.7371 4.7411 4.7411 4.7734 4.7734 5.2014 5.2014 5.3212 5.3212 k = 0.0000 0.2586-0.0000 ( 5694 PWs) bands (ev): -17.0250 -17.0250 -16.8374 -16.8374 -16.8002 -16.8002 -16.7998 -16.7998 -10.6453 -10.6453 -6.6608 -6.6608 -6.4627 -6.4627 -6.4610 -6.4610 -5.4074 -5.4074 -4.3804 -4.3804 -4.2013 -4.2013 -4.1996 -4.1996 -3.3993 -3.3993 -3.3307 -3.3307 -2.6438 -2.6438 -2.4897 -2.4897 -2.4866 -2.4866 -2.4778 -2.4778 -2.3253 -2.3253 -2.3197 -2.3197 0.5953 0.5953 0.6467 0.6467 1.1768 1.1768 1.2112 1.2112 1.3097 1.3097 4.7396 4.7396 4.7437 4.7437 4.7830 4.7830 5.1933 5.1933 5.3302 5.3302 k = 0.0000 0.2759-0.0000 ( 5686 PWs) bands (ev): -17.0206 -17.0206 -16.8420 -16.8420 -16.8001 -16.8001 -16.7997 -16.7997 -10.6438 -10.6438 -6.6773 -6.6773 -6.4630 -6.4630 -6.4613 -6.4613 -5.3824 -5.3824 -4.3986 -4.3986 -4.2023 -4.2023 -4.2006 -4.2006 -3.3818 -3.3818 -3.3107 -3.3107 -2.6683 -2.6683 -2.4975 -2.4975 -2.4932 -2.4932 -2.4870 -2.4870 -2.3238 -2.3238 -2.3182 -2.3182 0.5981 0.5981 0.6543 0.6543 1.1838 1.1838 1.2221 1.2221 1.3203 1.3203 4.7421 4.7421 4.7464 4.7464 4.7936 4.7936 5.1844 5.1844 5.3394 5.3394 k = 0.0000 0.2931-0.0000 ( 5698 PWs) bands (ev): -17.0160 -17.0160 -16.8467 -16.8467 -16.8001 -16.8001 -16.7997 -16.7997 -10.6423 -10.6423 -6.6930 -6.6930 -6.4633 -6.4633 -6.4617 -6.4617 -5.3580 -5.3580 -4.4166 -4.4166 -4.2033 -4.2033 -4.2016 -4.2016 -3.3634 -3.3634 -3.2907 -3.2907 -2.6934 -2.6934 -2.5124 -2.5124 -2.4971 -2.4971 -2.4917 -2.4917 -2.3224 -2.3224 -2.3168 -2.3168 0.6009 0.6009 0.6617 0.6617 1.1906 1.1906 1.2327 1.2327 1.3307 1.3307 4.7446 4.7446 4.7490 4.7490 4.8050 4.8050 5.1747 5.1747 5.3485 5.3485 k = 0.0000 0.3103-0.0000 ( 5698 PWs) bands (ev): -17.0113 -17.0113 -16.8516 -16.8516 -16.8000 -16.8000 -16.7996 -16.7996 -10.6409 -10.6409 -6.7079 -6.7079 -6.4636 -6.4636 -6.4619 -6.4619 -5.3343 -5.3343 -4.4343 -4.4343 -4.2042 -4.2042 -4.2026 -4.2026 -3.3442 -3.3442 -3.2711 -3.2711 -2.7191 -2.7191 -2.5282 -2.5282 -2.5007 -2.5007 -2.4956 -2.4956 -2.3212 -2.3212 -2.3156 -2.3156 0.6036 0.6036 0.6690 0.6690 1.1972 1.1972 1.2431 1.2431 1.3408 1.3408 4.7469 4.7469 4.7516 4.7516 4.8174 4.8174 5.1641 5.1641 5.3574 5.3574 k = 0.0000 0.3276-0.0000 ( 5698 PWs) bands (ev): -17.0066 -17.0066 -16.8565 -16.8565 -16.8000 -16.8000 -16.7996 -16.7996 -10.6396 -10.6396 -6.7219 -6.7219 -6.4639 -6.4639 -6.4622 -6.4622 -5.3114 -5.3114 -4.4514 -4.4514 -4.2051 -4.2051 -4.2035 -4.2035 -3.3244 -3.3244 -3.2519 -3.2519 -2.7452 -2.7452 -2.5441 -2.5441 -2.5041 -2.5041 -2.4991 -2.4991 -2.3200 -2.3200 -2.3145 -2.3145 0.6061 0.6061 0.6759 0.6759 1.2035 1.2035 1.2530 1.2530 1.3507 1.3507 4.7492 4.7492 4.7541 4.7541 4.8306 4.8306 5.1527 5.1527 5.3661 5.3661 k = 0.0000 0.3448-0.0000 ( 5702 PWs) bands (ev): -17.0017 -17.0017 -16.8615 -16.8615 -16.7999 -16.7999 -16.7995 -16.7995 -10.6383 -10.6383 -6.7347 -6.7347 -6.4642 -6.4642 -6.4625 -6.4625 -5.2897 -5.2897 -4.4677 -4.4677 -4.2060 -4.2060 -4.2044 -4.2044 -3.3039 -3.3039 -3.2333 -3.2333 -2.7715 -2.7715 -2.5599 -2.5599 -2.5071 -2.5071 -2.5023 -2.5023 -2.3190 -2.3190 -2.3135 -2.3135 0.6085 0.6085 0.6823 0.6823 1.2093 1.2093 1.2625 1.2625 1.3600 1.3600 4.7514 4.7514 4.7566 4.7566 4.8446 4.8446 5.1405 5.1405 5.3744 5.3744 k = 0.0000 0.3621-0.0000 ( 5694 PWs) bands (ev): -16.9969 -16.9969 -16.8664 -16.8664 -16.7999 -16.7999 -16.7995 -16.7995 -10.6371 -10.6371 -6.7464 -6.7464 -6.4644 -6.4644 -6.4627 -6.4627 -5.2693 -5.2693 -4.4832 -4.4832 -4.2067 -4.2067 -4.2053 -4.2053 -3.2829 -3.2829 -3.2155 -3.2155 -2.7978 -2.7978 -2.5752 -2.5752 -2.5100 -2.5100 -2.5052 -2.5052 -2.3181 -2.3181 -2.3126 -2.3126 0.6108 0.6108 0.6883 0.6883 1.2148 1.2148 1.2713 1.2713 1.3687 1.3687 4.7534 4.7534 4.7588 4.7588 4.8594 4.8594 5.1275 5.1275 5.3823 5.3823 k = 0.0000 0.3793-0.0000 ( 5694 PWs) bands (ev): -16.9922 -16.9922 -16.8712 -16.8712 -16.7998 -16.7998 -16.7995 -16.7995 -10.6360 -10.6360 -6.7569 -6.7569 -6.4646 -6.4646 -6.4629 -6.4629 -5.2505 -5.2505 -4.4976 -4.4976 -4.2075 -4.2075 -4.2060 -4.2060 -3.2617 -3.2617 -3.1988 -3.1988 -2.8239 -2.8239 -2.5897 -2.5897 -2.5125 -2.5125 -2.5078 -2.5078 -2.3173 -2.3173 -2.3118 -2.3118 0.6128 0.6128 0.6937 0.6937 1.2197 1.2197 1.2794 1.2794 1.3767 1.3767 4.7552 4.7552 4.7610 4.7610 4.8748 4.8748 5.1137 5.1137 5.3895 5.3895 k = 0.0000 0.3966-0.0000 ( 5694 PWs) bands (ev): -16.9876 -16.9876 -16.8759 -16.8759 -16.7998 -16.7998 -16.7994 -16.7994 -10.6350 -10.6350 -6.7661 -6.7661 -6.4648 -6.4648 -6.4631 -6.4631 -5.2335 -5.2335 -4.5107 -4.5107 -4.2081 -4.2081 -4.2067 -4.2067 -3.2404 -3.2404 -3.1834 -3.1834 -2.8494 -2.8494 -2.6034 -2.6034 -2.5147 -2.5147 -2.5101 -2.5101 -2.3166 -2.3166 -2.3111 -2.3111 0.6145 0.6145 0.6985 0.6985 1.2241 1.2241 1.2866 1.2866 1.3839 1.3839 4.7568 4.7568 4.7629 4.7629 4.8907 4.8907 5.0992 5.0992 5.3960 5.3960 k = 0.0000 0.4138-0.0000 ( 5698 PWs) bands (ev): -16.9833 -16.9833 -16.8803 -16.8803 -16.7998 -16.7998 -16.7994 -16.7994 -10.6342 -10.6342 -6.7740 -6.7740 -6.4650 -6.4650 -6.4633 -6.4633 -5.2186 -5.2186 -4.5224 -4.5224 -4.2086 -4.2086 -4.2073 -4.2073 -3.2195 -3.2195 -3.1697 -3.1697 -2.8741 -2.8741 -2.6157 -2.6157 -2.5166 -2.5166 -2.5120 -2.5120 -2.3161 -2.3161 -2.3106 -2.3106 0.6161 0.6161 0.7026 0.7026 1.2279 1.2279 1.2929 1.2929 1.3901 1.3901 4.7583 4.7583 4.7645 4.7645 4.9070 4.9070 5.0842 5.0842 5.4017 5.4017 k = 0.0000 0.4310-0.0000 ( 5690 PWs) bands (ev): -16.9794 -16.9794 -16.8842 -16.8842 -16.7997 -16.7997 -16.7994 -16.7994 -10.6335 -10.6335 -6.7805 -6.7805 -6.4652 -6.4652 -6.4635 -6.4635 -5.2060 -5.2060 -4.5323 -4.5323 -4.2091 -4.2091 -4.2078 -4.2078 -3.1995 -3.1995 -3.1578 -3.1578 -2.8972 -2.8972 -2.6263 -2.6263 -2.5182 -2.5182 -2.5136 -2.5136 -2.3156 -2.3156 -2.3101 -2.3101 0.6175 0.6175 0.7061 0.7061 1.2310 1.2310 1.2981 1.2981 1.3954 1.3954 4.7595 4.7595 4.7659 4.7659 4.9236 4.9236 5.0688 5.0688 5.4065 5.4065 k = 0.0000 0.4483-0.0000 ( 5690 PWs) bands (ev): -16.9761 -16.9761 -16.8876 -16.8876 -16.7997 -16.7997 -16.7993 -16.7993 -10.6329 -10.6329 -6.7855 -6.7855 -6.4653 -6.4653 -6.4636 -6.4636 -5.1958 -5.1958 -4.5402 -4.5402 -4.2094 -4.2094 -4.2081 -4.2081 -3.1813 -3.1813 -3.1482 -3.1482 -2.9178 -2.9178 -2.6351 -2.6351 -2.5194 -2.5194 -2.5149 -2.5149 -2.3152 -2.3152 -2.3098 -2.3098 0.6185 0.6185 0.7088 0.7088 1.2335 1.2335 1.3023 1.3023 1.3995 1.3995 4.7604 4.7604 4.7670 4.7670 4.9401 4.9401 5.0531 5.0531 5.4103 5.4103 k = 0.0000 0.4655-0.0000 ( 5694 PWs) bands (ev): -16.9736 -16.9736 -16.8902 -16.8902 -16.7997 -16.7997 -16.7993 -16.7993 -10.6325 -10.6325 -6.7892 -6.7892 -6.4654 -6.4654 -6.4637 -6.4637 -5.1884 -5.1884 -4.5461 -4.5461 -4.2097 -4.2097 -4.2084 -4.2084 -3.1662 -3.1662 -3.1411 -3.1411 -2.9347 -2.9347 -2.6416 -2.6416 -2.5203 -2.5203 -2.5158 -2.5158 -2.3150 -2.3150 -2.3096 -2.3096 0.6193 0.6193 0.7108 0.7108 1.2353 1.2353 1.3053 1.3053 1.4025 1.4025 4.7611 4.7611 4.7678 4.7678 4.9561 4.9561 5.0378 5.0378 5.4131 5.4131 k = 0.0000 0.4828-0.0000 ( 5702 PWs) bands (ev): -16.9719 -16.9719 -16.8919 -16.8919 -16.7997 -16.7997 -16.7993 -16.7993 -10.6323 -10.6323 -6.7914 -6.7914 -6.4654 -6.4654 -6.4637 -6.4637 -5.1839 -5.1839 -4.5497 -4.5497 -4.2099 -4.2099 -4.2086 -4.2086 -3.1558 -3.1558 -3.1368 -3.1368 -2.9461 -2.9461 -2.6456 -2.6456 -2.5208 -2.5208 -2.5163 -2.5163 -2.3149 -2.3149 -2.3094 -2.3094 0.6197 0.6197 0.7119 0.7119 1.2363 1.2363 1.3070 1.3070 1.4043 1.4043 4.7615 4.7615 4.7683 4.7683 4.9699 4.9699 5.0244 5.0244 5.4148 5.4148 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -16.9714 -16.9714 -16.8924 -16.8924 -16.7997 -16.7997 -16.7993 -16.7993 -10.6322 -10.6322 -6.7921 -6.7921 -6.4654 -6.4654 -6.4637 -6.4637 -5.1824 -5.1824 -4.5509 -4.5509 -4.2099 -4.2099 -4.2086 -4.2086 -3.1520 -3.1520 -3.1353 -3.1353 -2.9502 -2.9502 -2.6470 -2.6470 -2.5210 -2.5210 -2.5165 -2.5165 -2.3148 -2.3148 -2.3094 -2.3094 0.6199 0.6199 0.7123 0.7123 1.2367 1.2367 1.3076 1.3076 1.4049 1.4049 4.7617 4.7617 4.7685 4.7685 4.9764 4.9764 5.0180 5.0180 5.4153 5.4153 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -16.9714 -16.9714 -16.8924 -16.8924 -16.7997 -16.7997 -16.7993 -16.7993 -10.6322 -10.6322 -6.7921 -6.7921 -6.4654 -6.4654 -6.4637 -6.4637 -5.1824 -5.1824 -4.5509 -4.5509 -4.2099 -4.2099 -4.2086 -4.2086 -3.1520 -3.1520 -3.1353 -3.1353 -2.9502 -2.9502 -2.6470 -2.6470 -2.5210 -2.5210 -2.5165 -2.5165 -2.3148 -2.3148 -2.3094 -2.3094 0.6199 0.6199 0.7123 0.7123 1.2367 1.2367 1.3076 1.3076 1.4049 1.4049 4.7617 4.7617 4.7685 4.7685 4.9764 4.9764 5.0180 5.0180 5.4153 5.4153 k = 0.0172 0.5000-0.0000 ( 5702 PWs) bands (ev): -16.9713 -16.9713 -16.8924 -16.8924 -16.7998 -16.7997 -16.7994 -16.7994 -10.6322 -10.6322 -6.7924 -6.7923 -6.4656 -6.4655 -6.4638 -6.4638 -5.1818 -5.1817 -4.5510 -4.5506 -4.2106 -4.2103 -4.2092 -4.2091 -3.1519 -3.1517 -3.1347 -3.1346 -2.9502 -2.9499 -2.6476 -2.6463 -2.5212 -2.5208 -2.5168 -2.5161 -2.3152 -2.3151 -2.3098 -2.3097 0.6196 0.6206 0.7121 0.7122 1.2365 1.2375 1.3072 1.3079 1.4044 1.4053 4.7611 4.7622 4.7684 4.7689 4.9780 4.9782 5.0181 5.0187 5.4150 5.4151 k = 0.0345 0.5000-0.0000 ( 5698 PWs) bands (ev): -16.9711 -16.9710 -16.8922 -16.8922 -16.8000 -16.7999 -16.7996 -16.7996 -10.6323 -10.6322 -6.7931 -6.7930 -6.4659 -6.4657 -6.4641 -6.4641 -5.1797 -5.1795 -4.5509 -4.5503 -4.2124 -4.2117 -4.2107 -4.2105 -3.1513 -3.1510 -3.1327 -3.1325 -2.9498 -2.9492 -2.6481 -2.6456 -2.5212 -2.5204 -2.5169 -2.5156 -2.3164 -2.3161 -2.3109 -2.3107 0.6197 0.6218 0.7115 0.7118 1.2370 1.2389 1.3065 1.3079 1.4038 1.4055 4.7606 4.7623 4.7686 4.7702 4.9829 4.9833 5.0192 5.0202 5.4142 5.4145 k = 0.0517 0.5000-0.0000 ( 5694 PWs) bands (ev): -16.9706 -16.9706 -16.8918 -16.8918 -16.8004 -16.8003 -16.8000 -16.7999 -10.6324 -10.6323 -6.7942 -6.7941 -6.4664 -6.4661 -6.4645 -6.4645 -5.1764 -5.1760 -4.5507 -4.5498 -4.2153 -4.2141 -4.2132 -4.2128 -3.1505 -3.1502 -3.1291 -3.1288 -2.9491 -2.9482 -2.6485 -2.6448 -2.5213 -2.5200 -2.5169 -2.5149 -2.3182 -2.3179 -2.3128 -2.3124 0.6202 0.6234 0.7106 0.7111 1.2380 1.2409 1.3056 1.3077 1.4031 1.4057 4.7600 4.7615 4.7695 4.7728 4.9909 4.9914 5.0211 5.0226 5.4129 5.4132 k = 0.0690 0.5000-0.0000 ( 5684 PWs) bands (ev): -16.9700 -16.9699 -16.8913 -16.8913 -16.8010 -16.8008 -16.8004 -16.8004 -10.6325 -10.6324 -6.7957 -6.7956 -6.4671 -6.4667 -6.4652 -6.4651 -5.1717 -5.1712 -4.5504 -4.5491 -4.2192 -4.2176 -4.2166 -4.2160 -3.1498 -3.1495 -3.1238 -3.1232 -2.9481 -2.9468 -2.6489 -2.6440 -2.5213 -2.5195 -2.5168 -2.5140 -2.3208 -2.3204 -2.3153 -2.3147 0.6211 0.6253 0.7093 0.7100 1.2396 1.2436 1.3045 1.3073 1.4024 1.4058 4.7591 4.7603 4.7716 4.7768 5.0015 5.0021 5.0238 5.0258 5.4111 5.4115 k = 0.0862 0.5000-0.0000 ( 5688 PWs) bands (ev): -16.9693 -16.9691 -16.8907 -16.8907 -16.8017 -16.8015 -16.8010 -16.8010 -10.6327 -10.6326 -6.7976 -6.7975 -6.4680 -6.4675 -6.4659 -6.4658 -5.1657 -5.1651 -4.5500 -4.5484 -4.2242 -4.2222 -4.2207 -4.2200 -3.1492 -3.1489 -3.1166 -3.1159 -2.9467 -2.9452 -2.6493 -2.6432 -2.5214 -2.5191 -2.5164 -2.5130 -2.3240 -2.3236 -2.3184 -2.3175 0.6223 0.6275 0.7078 0.7087 1.2417 1.2468 1.3030 1.3066 1.4017 1.4059 4.7583 4.7592 4.7748 4.7817 5.0145 5.0152 5.0274 5.0298 5.4086 5.4091 k = 0.1034 0.5000-0.0000 ( 5688 PWs) bands (ev): -16.9684 -16.9682 -16.8900 -16.8900 -16.8026 -16.8024 -16.8017 -16.8017 -10.6329 -10.6328 -6.8000 -6.7998 -6.4690 -6.4684 -6.4668 -6.4666 -5.1585 -5.1578 -4.5494 -4.5475 -4.2300 -4.2278 -4.2256 -4.2248 -3.1488 -3.1485 -3.1078 -3.1069 -2.9451 -2.9432 -2.6496 -2.6424 -2.5216 -2.5188 -2.5158 -2.5118 -2.3279 -2.3275 -2.3220 -2.3209 0.6240 0.6301 0.7060 0.7070 1.2442 1.2505 1.3011 1.3057 1.4010 1.4060 4.7578 4.7585 4.7791 4.7876 5.0289 5.0300 5.0321 5.0347 5.4055 5.4061 k = 0.1207 0.5000-0.0000 ( 5686 PWs) bands (ev): -16.9673 -16.9671 -16.8891 -16.8891 -16.8036 -16.8034 -16.8025 -16.8025 -10.6332 -10.6330 -6.8027 -6.8024 -6.4701 -6.4696 -6.4678 -6.4675 -5.1502 -5.1494 -4.5487 -4.5465 -4.2367 -4.2342 -4.2312 -4.2304 -3.1485 -3.1482 -3.0974 -3.0963 -2.9431 -2.9409 -2.6499 -2.6418 -2.5219 -2.5188 -2.5148 -2.5105 -2.3324 -2.3319 -2.3262 -2.3247 0.6259 0.6329 0.7040 0.7051 1.2470 1.2546 1.2990 1.3046 1.4006 1.4063 4.7579 4.7585 4.7845 4.7943 5.0362 5.0391 5.0464 5.0475 5.4016 5.4024 k = 0.1379 0.5000-0.0000 ( 5692 PWs) bands (ev): -16.9661 -16.9658 -16.8881 -16.8881 -16.8048 -16.8045 -16.8034 -16.8034 -10.6335 -10.6333 -6.8057 -6.8054 -6.4713 -6.4708 -6.4689 -6.4684 -5.1408 -5.1399 -4.5479 -4.5454 -4.2441 -4.2413 -4.2376 -4.2367 -3.1483 -3.1480 -3.0856 -3.0844 -2.9409 -2.9384 -2.6504 -2.6413 -2.5224 -2.5191 -2.5136 -2.5092 -2.3373 -2.3368 -2.3306 -2.3289 0.6280 0.6359 0.7018 0.7031 1.2499 1.2591 1.2965 1.3034 1.4003 1.4067 4.7590 4.7595 4.7908 4.8019 5.0416 5.0449 5.0642 5.0653 5.3970 5.3978 k = 0.1552 0.5000-0.0000 ( 5690 PWs) bands (ev): -16.9647 -16.9644 -16.8870 -16.8870 -16.8061 -16.8058 -16.8044 -16.8044 -10.6337 -10.6335 -6.8090 -6.8087 -6.4726 -6.4721 -6.4700 -6.4695 -5.1305 -5.1295 -4.5469 -4.5442 -4.2521 -4.2490 -4.2445 -4.2436 -3.1481 -3.1478 -3.0726 -3.0712 -2.9384 -2.9355 -2.6510 -2.6410 -2.5231 -2.5196 -2.5122 -2.5077 -2.3426 -2.3421 -2.3354 -2.3334 0.6304 0.6389 0.6995 0.7009 1.2529 1.2638 1.2938 1.3022 1.4002 1.4073 4.7613 4.7616 4.7980 4.8101 5.0474 5.0509 5.0831 5.0843 5.3915 5.3925 k = 0.1724 0.5000-0.0000 ( 5694 PWs) bands (ev): -16.9632 -16.9629 -16.8858 -16.8858 -16.8076 -16.8072 -16.8056 -16.8055 -10.6341 -10.6338 -6.8126 -6.8123 -6.4740 -6.4735 -6.4712 -6.4706 -5.1193 -5.1183 -4.5459 -4.5428 -4.2607 -4.2573 -4.2521 -4.2512 -3.1480 -3.1477 -3.0585 -3.0570 -2.9355 -2.9323 -2.6518 -2.6411 -2.5241 -2.5205 -2.5107 -2.5062 -2.3482 -2.3476 -2.3405 -2.3382 0.6328 0.6420 0.6972 0.6987 1.2555 1.2683 1.2911 1.3012 1.4005 1.4082 4.7647 4.7651 4.8061 4.8191 5.0536 5.0572 5.1027 5.1040 5.3851 5.3862 k = 0.1897 0.5000-0.0000 ( 5698 PWs) bands (ev): -16.9616 -16.9613 -16.8844 -16.8844 -16.8091 -16.8088 -16.8068 -16.8068 -10.6344 -10.6342 -6.8164 -6.8161 -6.4754 -6.4749 -6.4725 -6.4718 -5.1074 -5.1063 -4.5446 -4.5413 -4.2696 -4.2660 -4.2601 -4.2592 -3.1479 -3.1476 -3.0434 -3.0418 -2.9324 -2.9288 -2.6531 -2.6416 -2.5255 -2.5218 -2.5092 -2.5047 -2.3540 -2.3532 -2.3457 -2.3431 0.6353 0.6450 0.6950 0.6965 1.2575 1.2720 1.2890 1.3007 1.4011 1.4093 4.7695 4.7698 4.8149 4.8287 5.0598 5.0635 5.1230 5.1243 5.3778 5.3789 k = 0.2069 0.5000-0.0000 ( 5704 PWs) bands (ev): -16.9598 -16.9595 -16.8830 -16.8830 -16.8108 -16.8104 -16.8081 -16.8081 -10.6347 -10.6345 -6.8203 -6.8200 -6.4767 -6.4763 -6.4738 -6.4731 -5.0948 -5.0937 -4.5433 -4.5398 -4.2788 -4.2750 -4.2686 -4.2678 -3.1478 -3.1475 -3.0275 -3.0258 -2.9289 -2.9250 -2.6547 -2.6427 -2.5273 -2.5235 -2.5075 -2.5032 -2.3597 -2.3588 -2.3509 -2.3482 0.6377 0.6478 0.6929 0.6944 1.2586 1.2732 1.2893 1.3009 1.4021 1.4107 4.7757 4.7760 4.8245 4.8388 5.0661 5.0699 5.1435 5.1449 5.3694 5.3706 k = 0.2241 0.5000-0.0000 ( 5692 PWs) bands (ev): -16.9580 -16.9577 -16.8814 -16.8814 -16.8126 -16.8122 -16.8096 -16.8096 -10.6351 -10.6348 -6.8244 -6.8241 -6.4781 -6.4777 -6.4751 -6.4744 -5.0818 -5.0806 -4.5418 -4.5381 -4.2881 -4.2842 -4.2775 -4.2767 -3.1478 -3.1475 -3.0109 -3.0091 -2.9251 -2.9207 -2.6570 -2.6445 -2.5297 -2.5258 -2.5058 -2.5017 -2.3652 -2.3642 -2.3561 -2.3532 0.6399 0.6501 0.6913 0.6926 1.2585 1.2714 1.2924 1.3022 1.4034 1.4123 4.7833 4.7837 4.8348 4.8495 5.0723 5.0761 5.1641 5.1655 5.3599 5.3612 k = 0.2414 0.5000-0.0000 ( 5684 PWs) bands (ev): -16.9561 -16.9557 -16.8797 -16.8797 -16.8144 -16.8140 -16.8111 -16.8111 -10.6354 -10.6352 -6.8286 -6.8283 -6.4794 -6.4790 -6.4765 -6.4757 -5.0684 -5.0672 -4.5402 -4.5363 -4.2976 -4.2935 -4.2867 -4.2858 -3.1477 -3.1474 -2.9938 -2.9919 -2.9208 -2.9162 -2.6600 -2.6470 -2.5327 -2.5287 -2.5042 -2.5003 -2.3704 -2.3692 -2.3611 -2.3581 0.6418 0.6517 0.6903 0.6913 1.2573 1.2677 1.2972 1.3044 1.4051 1.4143 4.7924 4.7928 4.8457 4.8607 5.0782 5.0820 5.1845 5.1861 5.3494 5.3507 k = 0.2586 0.5000-0.0000 ( 5692 PWs) bands (ev): -16.9541 -16.9538 -16.8780 -16.8780 -16.8163 -16.8159 -16.8127 -16.8127 -10.6358 -10.6356 -6.8328 -6.8325 -6.4807 -6.4803 -6.4778 -6.4770 -5.0548 -5.0535 -4.5384 -4.5344 -4.3071 -4.3028 -4.2960 -4.2953 -3.1476 -3.1474 -2.9763 -2.9742 -2.9162 -2.9112 -2.6638 -2.6505 -2.5364 -2.5323 -2.5025 -2.4989 -2.3751 -2.3739 -2.3659 -2.3628 0.6432 0.6525 0.6900 0.6903 1.2550 1.2632 1.3024 1.3074 1.4071 1.4163 4.8029 4.8033 4.8570 4.8722 5.0837 5.0875 5.2046 5.2062 5.3379 5.3392 k = 0.2759 0.5000-0.0000 ( 5696 PWs) bands (ev): -16.9521 -16.9517 -16.8762 -16.8762 -16.8182 -16.8178 -16.8144 -16.8144 -10.6362 -10.6359 -6.8370 -6.8367 -6.4819 -6.4815 -6.4791 -6.4783 -5.0411 -5.0398 -4.5366 -4.5325 -4.3164 -4.3121 -4.3056 -4.3048 -3.1476 -3.1474 -2.9585 -2.9563 -2.9111 -2.9057 -2.6684 -2.6549 -2.5409 -2.5368 -2.5009 -2.4975 -2.3793 -2.3780 -2.3703 -2.3672 0.6439 0.6525 0.6900 0.6905 1.2519 1.2584 1.3077 1.3109 1.4093 1.4186 4.8148 4.8153 4.8689 4.8840 5.0886 5.0924 5.2240 5.2258 5.3255 5.3266 k = 0.2931 0.5000-0.0000 ( 5696 PWs) bands (ev): -16.9500 -16.9497 -16.8743 -16.8743 -16.8202 -16.8198 -16.8162 -16.8162 -10.6365 -10.6363 -6.8411 -6.8408 -6.4831 -6.4826 -6.4804 -6.4796 -5.0274 -5.0261 -4.5346 -4.5305 -4.3256 -4.3211 -4.3151 -4.3144 -3.1476 -3.1473 -2.9405 -2.9383 -2.9055 -2.8998 -2.6740 -2.6604 -2.5462 -2.5422 -2.4993 -2.4962 -2.3829 -2.3815 -2.3743 -2.3713 0.6441 0.6517 0.6904 0.6917 1.2484 1.2535 1.3129 1.3148 1.4118 1.4210 4.8280 4.8286 4.8811 4.8961 5.0928 5.0966 5.2421 5.2443 5.3126 5.3134 k = 0.3103 0.5000-0.0000 ( 5690 PWs) bands (ev): -16.9480 -16.9476 -16.8723 -16.8723 -16.8221 -16.8217 -16.8180 -16.8180 -10.6369 -10.6366 -6.8450 -6.8448 -6.4841 -6.4836 -6.4816 -6.4809 -5.0139 -5.0127 -4.5326 -4.5284 -4.3345 -4.3300 -4.3245 -4.3239 -3.1475 -3.1473 -2.9227 -2.9202 -2.8992 -2.8933 -2.6806 -2.6669 -2.5524 -2.5484 -2.4978 -2.4950 -2.3859 -2.3845 -2.3779 -2.3749 0.6437 0.6502 0.6914 0.6934 1.2446 1.2486 1.3178 1.3188 1.4145 1.4234 4.8426 4.8433 4.8936 4.9083 5.0962 5.1001 5.2572 5.2602 5.3008 5.3008 k = 0.3276 0.5000-0.0000 ( 5678 PWs) bands (ev): -16.9460 -16.9456 -16.8703 -16.8703 -16.8241 -16.8237 -16.8199 -16.8199 -10.6372 -10.6369 -6.8489 -6.8486 -6.4851 -6.4846 -6.4827 -6.4821 -5.0008 -4.9996 -4.5305 -4.5263 -4.3430 -4.3385 -4.3338 -4.3331 -3.1475 -3.1473 -2.9055 -2.9024 -2.8918 -2.8861 -2.6880 -2.6745 -2.5594 -2.5555 -2.4964 -2.4939 -2.3882 -2.3868 -2.3809 -2.3781 0.6428 0.6483 0.6929 0.6956 1.2407 1.2439 1.3225 1.3228 1.4174 1.4259 4.8583 4.8592 4.9064 4.9207 5.0986 5.1026 5.2627 5.2667 5.2956 5.2967 k = 0.3448 0.5000-0.0000 ( 5678 PWs) bands (ev): -16.9440 -16.9436 -16.8683 -16.8682 -16.8260 -16.8256 -16.8219 -16.8219 -10.6375 -10.6373 -6.8524 -6.8522 -6.4860 -6.4855 -6.4838 -6.4832 -4.9882 -4.9870 -4.5283 -4.5242 -4.3512 -4.3467 -4.3427 -4.3421 -3.1475 -3.1473 -2.8911 -2.8860 -2.8813 -2.8773 -2.6964 -2.6829 -2.5672 -2.5635 -2.4951 -2.4929 -2.3899 -2.3885 -2.3834 -2.3808 0.6416 0.6462 0.6947 0.6978 1.2368 1.2393 1.3265 1.3268 1.4203 1.4283 4.8752 4.8762 4.9192 4.9329 5.1001 5.1042 5.2530 5.2565 5.3051 5.3056 k = 0.3621 0.5000-0.0000 ( 5686 PWs) bands (ev): -16.9421 -16.9418 -16.8662 -16.8662 -16.8278 -16.8274 -16.8238 -16.8238 -10.6378 -10.6376 -6.8558 -6.8556 -6.4868 -6.4863 -6.4847 -6.4843 -4.9763 -4.9752 -4.5261 -4.5221 -4.3588 -4.3544 -4.3512 -4.3507 -3.1474 -3.1473 -2.8812 -2.8740 -2.8661 -2.8639 -2.7055 -2.6923 -2.5758 -2.5722 -2.4939 -2.4920 -2.3912 -2.3898 -2.3854 -2.3832 0.6401 0.6440 0.6967 0.6999 1.2330 1.2350 1.3301 1.3306 1.4231 1.4306 4.8931 4.8943 4.9319 4.9451 5.1006 5.1048 5.2369 5.2399 5.3186 5.3187 k = 0.3793 0.5000-0.0000 ( 5690 PWs) bands (ev): -16.9403 -16.9400 -16.8641 -16.8641 -16.8295 -16.8291 -16.8258 -16.8258 -10.6380 -10.6378 -6.8588 -6.8586 -6.4875 -6.4869 -6.4856 -6.4852 -4.9652 -4.9642 -4.5239 -4.5201 -4.3658 -4.3616 -4.3592 -4.3586 -3.1474 -3.1473 -2.8726 -2.8648 -2.8496 -2.8477 -2.7152 -2.7023 -2.5849 -2.5815 -2.4929 -2.4911 -2.3919 -2.3906 -2.3870 -2.3851 0.6386 0.6419 0.6988 0.7020 1.2295 1.2311 1.3333 1.3340 1.4260 1.4327 4.9120 4.9133 4.9446 4.9569 5.1001 5.1044 5.2186 5.2213 5.3317 5.3318 k = 0.3966 0.5000-0.0000 ( 5696 PWs) bands (ev): -16.9386 -16.9384 -16.8621 -16.8621 -16.8310 -16.8307 -16.8278 -16.8278 -10.6382 -10.6381 -6.8615 -6.8614 -6.4881 -6.4876 -6.4863 -6.4861 -4.9552 -4.9542 -4.5218 -4.5183 -4.3721 -4.3682 -4.3664 -4.3659 -3.1474 -3.1473 -2.8639 -2.8558 -2.8334 -2.8315 -2.7255 -2.7129 -2.5943 -2.5912 -2.4919 -2.4904 -2.3924 -2.3911 -2.3881 -2.3866 0.6372 0.6399 0.7008 0.7039 1.2264 1.2275 1.3362 1.3369 1.4286 1.4346 4.9315 4.9332 4.9569 4.9682 5.0987 5.1030 5.1990 5.2016 5.3437 5.3439 k = 0.4138 0.5000-0.0000 ( 5696 PWs) bands (ev): -16.9372 -16.9369 -16.8601 -16.8601 -16.8324 -16.8322 -16.8297 -16.8297 -10.6384 -10.6383 -6.8639 -6.8637 -6.4886 -6.4881 -6.4869 -6.4868 -4.9463 -4.9455 -4.5197 -4.5166 -4.3776 -4.3742 -4.3727 -4.3723 -3.1474 -3.1473 -2.8549 -2.8466 -2.8179 -2.8162 -2.7360 -2.7239 -2.6039 -2.6011 -2.4911 -2.4899 -2.3927 -2.3914 -2.3889 -2.3878 0.6359 0.6380 0.7027 0.7055 1.2236 1.2245 1.3387 1.3394 1.4311 1.4362 4.9516 4.9536 4.9689 4.9788 5.0965 5.1009 5.1787 5.1811 5.3542 5.3544 k = 0.4310 0.5000-0.0000 ( 5712 PWs) bands (ev): -16.9359 -16.9357 -16.8582 -16.8582 -16.8336 -16.8334 -16.8315 -16.8315 -10.6386 -10.6385 -6.8658 -6.8657 -6.4890 -6.4886 -6.4874 -6.4874 -4.9388 -4.9381 -4.5179 -4.5152 -4.3822 -4.3794 -4.3779 -4.3777 -3.1474 -3.1473 -2.8457 -2.8372 -2.8038 -2.8021 -2.7465 -2.7350 -2.6132 -2.6107 -2.4904 -2.4894 -2.3928 -2.3916 -2.3895 -2.3887 0.6347 0.6364 0.7044 0.7068 1.2212 1.2219 1.3407 1.3414 1.4333 1.4374 4.9711 4.9744 4.9811 4.9885 5.0938 5.0980 5.1577 5.1600 5.3631 5.3633 k = 0.4483 0.5000-0.0000 ( 5708 PWs) bands (ev): -16.9349 -16.9347 -16.8565 -16.8565 -16.8346 -16.8344 -16.8332 -16.8332 -10.6387 -10.6386 -6.8674 -6.8673 -6.4894 -6.4890 -6.4878 -6.4878 -4.9327 -4.9322 -4.5162 -4.5141 -4.3859 -4.3838 -4.3821 -4.3820 -3.1473 -3.1473 -2.8363 -2.8281 -2.7914 -2.7899 -2.7567 -2.7461 -2.6216 -2.6196 -2.4898 -2.4891 -2.3927 -2.3918 -2.3897 -2.3893 0.6339 0.6351 0.7059 0.7077 1.2194 1.2199 1.3424 1.3429 1.4353 1.4384 4.9860 4.9931 4.9970 4.9990 5.0911 5.0948 5.1366 5.1387 5.3701 5.3703 k = 0.4655 0.5000-0.0000 ( 5694 PWs) bands (ev): -16.9341 -16.9340 -16.8551 -16.8551 -16.8353 -16.8352 -16.8345 -16.8345 -10.6388 -10.6387 -6.8685 -6.8684 -6.4896 -6.4893 -6.4881 -6.4881 -4.9283 -4.9279 -4.5148 -4.5134 -4.3885 -4.3871 -4.3851 -4.3851 -3.1473 -3.1473 -2.8272 -2.8198 -2.7815 -2.7803 -2.7656 -2.7565 -2.6285 -2.6271 -2.4893 -2.4888 -2.3927 -2.3919 -2.3898 -2.3896 0.6333 0.6341 0.7071 0.7083 1.2181 1.2184 1.3437 1.3440 1.4369 1.4390 4.9952 5.0011 5.0167 5.0179 5.0887 5.0916 5.1158 5.1177 5.3752 5.3753 k = 0.4828 0.5000-0.0000 ( 5702 PWs) bands (ev): -16.9336 -16.9336 -16.8542 -16.8542 -16.8358 -16.8357 -16.8353 -16.8353 -10.6388 -10.6388 -6.8691 -6.8691 -6.4897 -6.4895 -6.4883 -6.4883 -4.9255 -4.9253 -4.5139 -4.5131 -4.3899 -4.3893 -4.3870 -4.3870 -3.1473 -3.1473 -2.8191 -2.8141 -2.7749 -2.7741 -2.7716 -2.7656 -2.6331 -2.6323 -2.4890 -2.4888 -2.3925 -2.3922 -2.3899 -2.3898 0.6329 0.6333 0.7079 0.7085 1.2173 1.2175 1.3444 1.3446 1.4380 1.4391 5.0014 5.0045 5.0356 5.0367 5.0869 5.0885 5.0972 5.0987 5.3783 5.3784 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -16.9334 -16.9334 -16.8539 -16.8539 -16.8360 -16.8360 -16.8356 -16.8356 -10.6388 -10.6388 -6.8694 -6.8694 -6.4897 -6.4897 -6.4883 -6.4883 -4.9245 -4.9245 -4.5133 -4.5133 -4.3902 -4.3902 -4.3876 -4.3876 -3.1473 -3.1473 -2.8138 -2.8138 -2.7726 -2.7726 -2.7712 -2.7712 -2.6344 -2.6344 -2.4888 -2.4888 -2.3924 -2.3924 -2.3899 -2.3899 0.6330 0.6330 0.7084 0.7084 1.2171 1.2171 1.3447 1.3447 1.4387 1.4387 5.0046 5.0046 5.0462 5.0462 5.0849 5.0849 5.0899 5.0899 5.3794 5.3794 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -16.9334 -16.9334 -16.8539 -16.8539 -16.8360 -16.8360 -16.8356 -16.8356 -10.6388 -10.6388 -6.8694 -6.8694 -6.4897 -6.4897 -6.4883 -6.4883 -4.9245 -4.9245 -4.5133 -4.5133 -4.3902 -4.3902 -4.3876 -4.3876 -3.1473 -3.1473 -2.8138 -2.8138 -2.7726 -2.7726 -2.7712 -2.7712 -2.6344 -2.6344 -2.4888 -2.4888 -2.3924 -2.3924 -2.3899 -2.3899 0.6330 0.6330 0.7084 0.7084 1.2171 1.2171 1.3447 1.3447 1.4387 1.4387 5.0046 5.0046 5.0462 5.0462 5.0849 5.0849 5.0899 5.0899 5.3794 5.3794 k = 0.4878 0.4878-0.0000 ( 5706 PWs) bands (ev): -16.9336 -16.9336 -16.8542 -16.8542 -16.8358 -16.8358 -16.8353 -16.8353 -10.6388 -10.6388 -6.8691 -6.8691 -6.4897 -6.4896 -6.4883 -6.4883 -4.9255 -4.9253 -4.5138 -4.5131 -4.3900 -4.3894 -4.3870 -4.3869 -3.1473 -3.1473 -2.8190 -2.8141 -2.7753 -2.7742 -2.7712 -2.7655 -2.6331 -2.6323 -2.4890 -2.4888 -2.3925 -2.3922 -2.3898 -2.3898 0.6329 0.6333 0.7079 0.7085 1.2173 1.2175 1.3444 1.3446 1.4380 1.4391 5.0011 5.0046 5.0354 5.0374 5.0868 5.0877 5.0980 5.0986 5.3783 5.3784 k = 0.4756 0.4756-0.0000 ( 5692 PWs) bands (ev): -16.9341 -16.9340 -16.8551 -16.8551 -16.8356 -16.8356 -16.8342 -16.8341 -10.6388 -10.6387 -6.8685 -6.8684 -6.4896 -6.4893 -6.4881 -6.4881 -4.9283 -4.9279 -4.5147 -4.5133 -4.3889 -4.3884 -4.3846 -4.3840 -3.1473 -3.1473 -2.8269 -2.8195 -2.7828 -2.7811 -2.7644 -2.7559 -2.6286 -2.6271 -2.4893 -2.4888 -2.3927 -2.3922 -2.3896 -2.3895 0.6333 0.6341 0.7071 0.7083 1.2181 1.2184 1.3436 1.3440 1.4369 1.4390 4.9920 5.0000 5.0178 5.0231 5.0880 5.0887 5.1173 5.1177 5.3752 5.3753 k = 0.4634 0.4634-0.0000 ( 5704 PWs) bands (ev): -16.9349 -16.9348 -16.8563 -16.8563 -16.8353 -16.8353 -16.8326 -16.8324 -10.6387 -10.6386 -6.8673 -6.8672 -6.4894 -6.4890 -6.4878 -6.4878 -4.9328 -4.9323 -4.5157 -4.5138 -4.3876 -4.3873 -4.3804 -4.3791 -3.1475 -3.1475 -2.8354 -2.8272 -2.7940 -2.7919 -2.7546 -2.7447 -2.6217 -2.6198 -2.4897 -2.4891 -2.3931 -2.3926 -2.3891 -2.3887 0.6339 0.6350 0.7058 0.7077 1.2194 1.2198 1.3424 1.3430 1.4352 1.4384 4.9754 4.9848 5.0071 5.0126 5.0893 5.0901 5.1383 5.1387 5.3701 5.3703 k = 0.4512 0.4512-0.0000 ( 5702 PWs) bands (ev): -16.9361 -16.9359 -16.8576 -16.8576 -16.8350 -16.8350 -16.8306 -16.8304 -10.6386 -10.6385 -6.8657 -6.8656 -6.4890 -6.4886 -6.4874 -6.4874 -4.9392 -4.9385 -4.5165 -4.5141 -4.3860 -4.3860 -4.3744 -4.3726 -3.1478 -3.1478 -2.8436 -2.8352 -2.8081 -2.8056 -2.7433 -2.7327 -2.6133 -2.6110 -2.4903 -2.4894 -2.3938 -2.3934 -2.3881 -2.3873 0.6348 0.6362 0.7043 0.7067 1.2212 1.2219 1.3406 1.3415 1.4332 1.4374 4.9540 4.9629 5.0011 5.0049 5.0910 5.0918 5.1591 5.1597 5.3631 5.3633 k = 0.4390 0.4390-0.0000 ( 5702 PWs) bands (ev): -16.9376 -16.9374 -16.8588 -16.8588 -16.8345 -16.8345 -16.8284 -16.8283 -10.6385 -10.6383 -6.8636 -6.8635 -6.4886 -6.4881 -6.4870 -6.4868 -4.9473 -4.9465 -4.5168 -4.5141 -4.3842 -4.3842 -4.3671 -4.3649 -3.1486 -3.1485 -2.8511 -2.8428 -2.8244 -2.8215 -2.7313 -2.7203 -2.6041 -2.6015 -2.4909 -2.4898 -2.3947 -2.3943 -2.3868 -2.3856 0.6359 0.6375 0.7024 0.7054 1.2233 1.2243 1.3384 1.3395 1.4307 1.4360 4.9310 4.9396 4.9950 4.9975 5.0931 5.0940 5.1793 5.1800 5.3542 5.3544 k = 0.4268 0.4268-0.0000 ( 5696 PWs) bands (ev): -16.9395 -16.9392 -16.8599 -16.8598 -16.8340 -16.8340 -16.8262 -16.8260 -10.6383 -10.6382 -6.8610 -6.8608 -6.4881 -6.4875 -6.4864 -6.4862 -4.9571 -4.9563 -4.5164 -4.5134 -4.3821 -4.3819 -4.3589 -4.3565 -3.1500 -3.1498 -2.8577 -2.8499 -2.8419 -2.8387 -2.7190 -2.7077 -2.5946 -2.5918 -2.4915 -2.4903 -2.3956 -2.3952 -2.3850 -2.3835 0.6373 0.6390 0.7003 0.7038 1.2259 1.2272 1.3356 1.3371 1.4278 1.4343 4.9075 4.9162 4.9879 4.9896 5.0954 5.0963 5.1985 5.1994 5.3436 5.3439 k = 0.4146 0.4146-0.0000 ( 5692 PWs) bands (ev): -16.9418 -16.9415 -16.8606 -16.8605 -16.8333 -16.8333 -16.8240 -16.8238 -10.6381 -10.6380 -6.8578 -6.8576 -6.4875 -6.4869 -6.4857 -6.4854 -4.9687 -4.9678 -4.5150 -4.5119 -4.3796 -4.3793 -4.3500 -4.3474 -3.1521 -3.1518 -2.8664 -2.8614 -2.8573 -2.8515 -2.7067 -2.6952 -2.5851 -2.5821 -2.4922 -2.4909 -2.3965 -2.3960 -2.3829 -2.3811 0.6387 0.6404 0.6979 0.7017 1.2287 1.2304 1.3324 1.3343 1.4246 1.4320 4.8841 4.8931 4.9798 4.9810 5.0979 5.0988 5.2165 5.2176 5.3315 5.3319 k = 0.4024 0.4024-0.0000 ( 5678 PWs) bands (ev): -16.9444 -16.9441 -16.8610 -16.8609 -16.8326 -16.8326 -16.8218 -16.8216 -10.6380 -10.6378 -6.8540 -6.8538 -6.4867 -6.4862 -6.4849 -6.4845 -4.9819 -4.9810 -4.5126 -4.5094 -4.3768 -4.3764 -4.3407 -4.3380 -3.1553 -3.1547 -2.8845 -2.8808 -2.8626 -2.8559 -2.6943 -2.6827 -2.5759 -2.5727 -2.4928 -2.4915 -2.3972 -2.3966 -2.3805 -2.3784 0.6402 0.6418 0.6953 0.6994 1.2316 1.2338 1.3286 1.3309 1.4209 1.4295 4.8612 4.8706 4.9707 4.9714 5.1003 5.1012 5.2333 5.2345 5.3182 5.3187 k = 0.3902 0.3902-0.0000 ( 5682 PWs) bands (ev): -16.9475 -16.9472 -16.8610 -16.8610 -16.8318 -16.8318 -16.8198 -16.8195 -10.6379 -10.6377 -6.8497 -6.8494 -6.4860 -6.4854 -6.4840 -6.4835 -4.9966 -4.9957 -4.5091 -4.5059 -4.3735 -4.3731 -4.3312 -4.3283 -3.1597 -3.1589 -2.9057 -2.9021 -2.8638 -2.8575 -2.6821 -2.6703 -2.5669 -2.5635 -2.4934 -2.4921 -2.3977 -2.3969 -2.3778 -2.3755 0.6417 0.6429 0.6924 0.6967 1.2345 1.2372 1.3243 1.3272 1.4168 1.4264 4.8389 4.8488 4.9607 4.9611 5.1025 5.1033 5.2486 5.2499 5.3039 5.3046 k = 0.3780 0.3780-0.0000 ( 5682 PWs) bands (ev): -16.9509 -16.9506 -16.8607 -16.8606 -16.8309 -16.8309 -16.8177 -16.8174 -10.6377 -10.6375 -6.8447 -6.8444 -6.4851 -6.4846 -6.4830 -6.4824 -5.0129 -5.0120 -4.5044 -4.5012 -4.3699 -4.3694 -4.3216 -4.3187 -3.1655 -3.1644 -2.9281 -2.9244 -2.8627 -2.8569 -2.6699 -2.6581 -2.5584 -2.5548 -2.4939 -2.4926 -2.3978 -2.3969 -2.3749 -2.3725 0.6430 0.6438 0.6893 0.6937 1.2372 1.2407 1.3195 1.3229 1.4123 1.4230 4.8176 4.8278 4.9497 4.9499 5.1042 5.1046 5.2624 5.2637 5.2891 5.2899 k = 0.3659 0.3659-0.0000 ( 5684 PWs) bands (ev): -16.9546 -16.9543 -16.8600 -16.8599 -16.8299 -16.8299 -16.8158 -16.8155 -10.6377 -10.6375 -6.8390 -6.8387 -6.4842 -6.4837 -6.4819 -6.4812 -5.0306 -5.0298 -4.4986 -4.4954 -4.3660 -4.3654 -4.3120 -4.3091 -3.1727 -3.1714 -2.9513 -2.9476 -2.8593 -2.8542 -2.6579 -2.6461 -2.5504 -2.5465 -2.4943 -2.4931 -2.3974 -2.3963 -2.3719 -2.3692 0.6442 0.6443 0.6861 0.6904 1.2397 1.2439 1.3141 1.3182 1.4075 1.4192 4.7972 4.8079 4.9381 4.9382 5.1048 5.1049 5.2725 5.2739 5.2761 5.2776 k = 0.3537 0.3537-0.0000 ( 5676 PWs) bands (ev): -16.9587 -16.9584 -16.8589 -16.8589 -16.8289 -16.8289 -16.8141 -16.8137 -10.6376 -10.6374 -6.8327 -6.8323 -6.4832 -6.4828 -6.4808 -6.4800 -5.0496 -5.0488 -4.4917 -4.4886 -4.3616 -4.3610 -4.3026 -4.2997 -3.1814 -3.1798 -2.9752 -2.9714 -2.8538 -2.8492 -2.6460 -2.6343 -2.5429 -2.5387 -2.4944 -2.4934 -2.3966 -2.3953 -2.3687 -2.3659 0.6445 0.6452 0.6828 0.6869 1.2418 1.2468 1.3082 1.3131 1.4023 1.4150 4.7781 4.7891 4.9258 4.9258 5.1035 5.1039 5.2593 5.2612 5.2856 5.2871 k = 0.3415 0.3415-0.0000 ( 5664 PWs) bands (ev): -16.9630 -16.9627 -16.8575 -16.8575 -16.8278 -16.8278 -16.8124 -16.8121 -10.6377 -10.6375 -6.8255 -6.8252 -6.4822 -6.4818 -6.4796 -6.4787 -5.0697 -5.0690 -4.4838 -4.4807 -4.3570 -4.3562 -4.2934 -4.2905 -3.1915 -3.1896 -2.9996 -2.9958 -2.8461 -2.8422 -2.6341 -2.6225 -2.5358 -2.5313 -2.4944 -2.4936 -2.3952 -2.3937 -2.3654 -2.3625 0.6441 0.6458 0.6795 0.6832 1.2433 1.2492 1.3018 1.3075 1.3968 1.4104 4.7603 4.7716 4.9131 4.9131 5.0998 5.1008 5.2463 5.2486 5.2946 5.2960 k = 0.3293 0.3293-0.0000 ( 5656 PWs) bands (ev): -16.9675 -16.9672 -16.8559 -16.8558 -16.8266 -16.8266 -16.8109 -16.8105 -10.6378 -10.6376 -6.8177 -6.8173 -6.4812 -6.4807 -6.4783 -6.4774 -5.0910 -5.0904 -4.4749 -4.4719 -4.3520 -4.3512 -4.2845 -4.2817 -3.2030 -3.2009 -3.0245 -3.0207 -2.8366 -2.8332 -2.6223 -2.6109 -2.5294 -2.5245 -2.4940 -2.4936 -2.3934 -2.3917 -2.3621 -2.3591 0.6431 0.6461 0.6762 0.6793 1.2440 1.2509 1.2949 1.3016 1.3911 1.4054 4.7439 4.7555 4.8999 4.9000 5.0931 5.0948 5.2354 5.2383 5.3022 5.3034 k = 0.3171 0.3171-0.0000 ( 5678 PWs) bands (ev): -16.9722 -16.9720 -16.8540 -16.8539 -16.8254 -16.8254 -16.8095 -16.8091 -10.6380 -10.6378 -6.8090 -6.8086 -6.4801 -6.4797 -6.4771 -6.4761 -5.1133 -5.1127 -4.4652 -4.4622 -4.3466 -4.3458 -4.2760 -4.2732 -3.2157 -3.2134 -3.0498 -3.0459 -2.8253 -2.8224 -2.6104 -2.5994 -2.5235 -2.5181 -2.4934 -2.4934 -2.3910 -2.3892 -2.3588 -2.3558 0.6415 0.6460 0.6728 0.6751 1.2439 1.2517 1.2875 1.2953 1.3849 1.3999 4.7290 4.7407 4.8866 4.8867 5.0830 5.0854 5.2271 5.2305 5.3081 5.3091 k = 0.3049 0.3049-0.0000 ( 5696 PWs) bands (ev): -16.9770 -16.9768 -16.8519 -16.8518 -16.8242 -16.8242 -16.8082 -16.8079 -10.6383 -10.6381 -6.7995 -6.7991 -6.4790 -6.4786 -6.4758 -6.4748 -5.1365 -5.1360 -4.4546 -4.4517 -4.3410 -4.3401 -4.2678 -4.2651 -3.2294 -3.2269 -3.0754 -3.0715 -2.8124 -2.8099 -2.5985 -2.5878 -2.5182 -2.5123 -2.4928 -2.4923 -2.3882 -2.3862 -2.3556 -2.3525 0.6393 0.6454 0.6694 0.6707 1.2428 1.2516 1.2797 1.2886 1.3786 1.3940 4.7156 4.7275 4.8732 4.8735 5.0697 5.0727 5.2217 5.2255 5.3125 5.3134 k = 0.2927 0.2927-0.0000 ( 5686 PWs) bands (ev): -16.9820 -16.9818 -16.8495 -16.8494 -16.8229 -16.8229 -16.8071 -16.8067 -10.6387 -10.6385 -6.7892 -6.7887 -6.4779 -6.4775 -6.4745 -6.4735 -5.1605 -5.1601 -4.4433 -4.4405 -4.3350 -4.3341 -4.2601 -4.2574 -3.2440 -3.2414 -3.1012 -3.0973 -2.7980 -2.7960 -2.5864 -2.5761 -2.5135 -2.5070 -2.4917 -2.4907 -2.3851 -2.3830 -2.3524 -2.3494 0.6367 0.6444 0.6660 0.6665 1.2408 1.2505 1.2715 1.2817 1.3721 1.3877 4.7039 4.7158 4.8599 4.8603 5.0536 5.0570 5.2189 5.2228 5.3155 5.3162 k = 0.2805 0.2805-0.0000 ( 5694 PWs) bands (ev): -16.9870 -16.9868 -16.8471 -16.8469 -16.8216 -16.8216 -16.8060 -16.8057 -10.6392 -10.6390 -6.7780 -6.7776 -6.4767 -6.4763 -6.4732 -6.4722 -5.1853 -5.1849 -4.4315 -4.4287 -4.3288 -4.3278 -4.2528 -4.2502 -3.2593 -3.2567 -3.1271 -3.1233 -2.7824 -2.7808 -2.5741 -2.5643 -2.5094 -2.5025 -2.4901 -2.4886 -2.3816 -2.3794 -2.3494 -2.3464 0.6335 0.6427 0.6621 0.6626 1.2377 1.2483 1.2629 1.2745 1.3653 1.3810 4.6938 4.7056 4.8468 4.8474 5.0353 5.0390 5.2180 5.2220 5.3172 5.3177 k = 0.2683 0.2683-0.0000 ( 5706 PWs) bands (ev): -16.9920 -16.9918 -16.8445 -16.8443 -16.8202 -16.8202 -16.8051 -16.8048 -10.6398 -10.6396 -6.7661 -6.7656 -6.4756 -6.4752 -6.4719 -6.4709 -5.2107 -5.2104 -4.4190 -4.4163 -4.3223 -4.3212 -4.2459 -4.2435 -3.2752 -3.2725 -3.1531 -3.1493 -2.7658 -2.7645 -2.5617 -2.5524 -2.5058 -2.4988 -2.4878 -2.4860 -2.3780 -2.3757 -2.3466 -2.3436 0.6299 0.6406 0.6577 0.6590 1.2336 1.2449 1.2540 1.2670 1.3582 1.3737 4.6853 4.6970 4.8340 4.8348 5.0155 5.0193 5.2185 5.2225 5.3176 5.3179 k = 0.2561 0.2561-0.0000 ( 5696 PWs) bands (ev): -16.9970 -16.9968 -16.8417 -16.8415 -16.8189 -16.8189 -16.8043 -16.8040 -10.6405 -10.6403 -6.7532 -6.7527 -6.4744 -6.4740 -6.4707 -6.4696 -5.2366 -5.2364 -4.4062 -4.4035 -4.3155 -4.3144 -4.2396 -4.2372 -3.2916 -3.2888 -3.1790 -3.1752 -2.7483 -2.7473 -2.5490 -2.5402 -2.5026 -2.4957 -2.4847 -2.4830 -2.3742 -2.3719 -2.3441 -2.3411 0.6260 0.6379 0.6535 0.6553 1.2286 1.2405 1.2449 1.2593 1.3510 1.3659 4.6785 4.6900 4.8217 4.8227 4.9948 4.9987 5.2199 5.2239 5.3170 5.3170 k = 0.2439 0.2439-0.0000 ( 5696 PWs) bands (ev): -17.0019 -17.0018 -16.8389 -16.8387 -16.8175 -16.8175 -16.8036 -16.8033 -10.6413 -10.6411 -6.7396 -6.7390 -6.4732 -6.4729 -6.4695 -6.4685 -5.2631 -5.2628 -4.3929 -4.3903 -4.3085 -4.3073 -4.2336 -4.2314 -3.3082 -3.3054 -3.2048 -3.2011 -2.7301 -2.7293 -2.5360 -2.5279 -2.4996 -2.4932 -2.4812 -2.4798 -2.3704 -2.3680 -2.3417 -2.3389 0.6219 0.6346 0.6493 0.6513 1.2227 1.2346 1.2359 1.2513 1.3434 1.3577 4.6732 4.6844 4.8099 4.8111 4.9736 4.9776 5.2219 5.2257 5.3152 5.3153 k = 0.2317 0.2317-0.0000 ( 5700 PWs) bands (ev): -17.0068 -17.0067 -16.8361 -16.8359 -16.8162 -16.8162 -16.8030 -16.8026 -10.6422 -10.6420 -6.7251 -6.7246 -6.4721 -6.4718 -6.4683 -6.4673 -5.2899 -5.2897 -4.3794 -4.3768 -4.3013 -4.3001 -4.2282 -4.2261 -3.3250 -3.3222 -3.2304 -3.2267 -2.7113 -2.7107 -2.5229 -2.5153 -2.4967 -2.4908 -2.4775 -2.4765 -2.3667 -2.3642 -2.3397 -2.3369 0.6177 0.6309 0.6451 0.6471 1.2161 1.2258 1.2288 1.2430 1.3356 1.3489 4.6694 4.6802 4.7988 4.8001 4.9523 4.9563 5.2243 5.2279 5.3125 5.3129 k = 0.2195 0.2195-0.0000 ( 5706 PWs) bands (ev): -17.0117 -17.0116 -16.8332 -16.8330 -16.8149 -16.8149 -16.8025 -16.8021 -10.6432 -10.6430 -6.7099 -6.7094 -6.4710 -6.4706 -6.4673 -6.4663 -5.3170 -5.3168 -4.3657 -4.3631 -4.2939 -4.2927 -4.2232 -4.2212 -3.3418 -3.3390 -3.2556 -3.2520 -2.6920 -2.6917 -2.5097 -2.5027 -2.4938 -2.4883 -2.4738 -2.4731 -2.3631 -2.3606 -2.3379 -2.3353 0.6133 0.6267 0.6409 0.6427 1.2089 1.2163 1.2215 1.2344 1.3275 1.3397 4.6671 4.6775 4.7884 4.7899 4.9311 4.9351 5.2267 5.2301 5.3091 5.3097 k = 0.2073 0.2073-0.0000 ( 5702 PWs) bands (ev): -17.0164 -17.0163 -16.8304 -16.8301 -16.8135 -16.8135 -16.8020 -16.8017 -10.6442 -10.6441 -6.6940 -6.6935 -6.4699 -6.4695 -6.4662 -6.4653 -5.3443 -5.3442 -4.3519 -4.3493 -4.2863 -4.2851 -4.2187 -4.2168 -3.3585 -3.3557 -3.2805 -3.2769 -2.6725 -2.6723 -2.4964 -2.4908 -2.4905 -2.4852 -2.4702 -2.4698 -2.3597 -2.3571 -2.3364 -2.3340 0.6090 0.6224 0.6366 0.6379 1.2013 1.2067 1.2136 1.2256 1.3191 1.3301 4.6661 4.6760 4.7788 4.7803 4.9104 4.9142 5.2291 5.2324 5.3052 5.3059 k = 0.1951 0.1951-0.0000 ( 5704 PWs) bands (ev): -17.0209 -17.0208 -16.8275 -16.8273 -16.8122 -16.8122 -16.8016 -16.8013 -10.6453 -10.6452 -6.6775 -6.6769 -6.4688 -6.4685 -6.4652 -6.4643 -5.3716 -5.3716 -4.3380 -4.3355 -4.2787 -4.2774 -4.2146 -4.2128 -3.3750 -3.3722 -3.3048 -3.3013 -2.6529 -2.6528 -2.4879 -2.4838 -2.4828 -2.4764 -2.4667 -2.4666 -2.3565 -2.3539 -2.3353 -2.3330 0.6047 0.6178 0.6321 0.6330 1.1934 1.1971 1.2051 1.2165 1.3105 1.3203 4.6663 4.6757 4.7700 4.7716 4.8902 4.8940 5.2315 5.2345 5.3008 5.3017 k = 0.1829 0.1829-0.0000 ( 5694 PWs) bands (ev): -17.0253 -17.0252 -16.8247 -16.8245 -16.8110 -16.8110 -16.8013 -16.8011 -10.6465 -10.6464 -6.6604 -6.6598 -6.4677 -6.4674 -6.4643 -6.4635 -5.3990 -5.3990 -4.3241 -4.3216 -4.2709 -4.2697 -4.2109 -4.2093 -3.3911 -3.3884 -3.3285 -3.3251 -2.6333 -2.6332 -2.4846 -2.4806 -2.4696 -2.4647 -2.4635 -2.4626 -2.3536 -2.3510 -2.3345 -2.3324 0.6005 0.6133 0.6275 0.6278 1.1853 1.1877 1.1962 1.2072 1.3016 1.3102 4.6676 4.6764 4.7620 4.7636 4.8707 4.8744 5.2337 5.2365 5.2962 5.2971 k = 0.1707 0.1707-0.0000 ( 5698 PWs) bands (ev): -17.0295 -17.0294 -16.8220 -16.8217 -16.8098 -16.8098 -16.8011 -16.8008 -10.6477 -10.6477 -6.6429 -6.6423 -6.4667 -6.4664 -6.4635 -6.4627 -5.4262 -5.4262 -4.3104 -4.3080 -4.2632 -4.2619 -4.2076 -4.2061 -3.4069 -3.4042 -3.3515 -3.3482 -2.6139 -2.6137 -2.4811 -2.4775 -2.4606 -2.4605 -2.4565 -2.4511 -2.3511 -2.3484 -2.3340 -2.3320 0.5964 0.6087 0.6224 0.6227 1.1772 1.1784 1.1871 1.1978 1.2927 1.2999 4.6698 4.6781 4.7548 4.7564 4.8521 4.8556 5.2357 5.2383 5.2913 5.2923 k = 0.1585 0.1585-0.0000 ( 5689 PWs) bands (ev): -17.0335 -17.0334 -16.8193 -16.8191 -16.8086 -16.8086 -16.8009 -16.8006 -10.6490 -10.6489 -6.6250 -6.6244 -6.4658 -6.4655 -6.4627 -6.4620 -5.4532 -5.4532 -4.2970 -4.2946 -4.2554 -4.2542 -4.2047 -4.2033 -3.4221 -3.4195 -3.3736 -3.3705 -2.5948 -2.5945 -2.4776 -2.4742 -2.4577 -2.4576 -2.4436 -2.4388 -2.3489 -2.3462 -2.3338 -2.3320 0.5925 0.6042 0.6170 0.6177 1.1692 1.1695 1.1779 1.1883 1.2837 1.2898 4.6729 4.6805 4.7484 4.7500 4.8344 4.8377 5.2376 5.2400 5.2864 5.2874 k = 0.1463 0.1463-0.0000 ( 5689 PWs) bands (ev): -17.0373 -17.0372 -16.8168 -16.8166 -16.8075 -16.8075 -16.8008 -16.8005 -10.6502 -10.6502 -6.6070 -6.6064 -6.4649 -6.4646 -6.4621 -6.4614 -5.4797 -5.4797 -4.2838 -4.2815 -4.2477 -4.2466 -4.2021 -4.2009 -3.4368 -3.4342 -3.3948 -3.3919 -2.5761 -2.5757 -2.4739 -2.4708 -2.4551 -2.4549 -2.4312 -2.4268 -2.3470 -2.3443 -2.3340 -2.3323 0.5887 0.5999 0.6114 0.6126 1.1608 1.1614 1.1687 1.1788 1.2748 1.2798 4.6765 4.6836 4.7428 4.7443 4.8178 4.8209 5.2392 5.2414 5.2814 5.2825 k = 0.1341 0.1341-0.0000 ( 5681 PWs) bands (ev): -17.0408 -17.0408 -16.8144 -16.8142 -16.8065 -16.8064 -16.8007 -16.8004 -10.6515 -10.6514 -6.5889 -6.5883 -6.4641 -6.4637 -6.4614 -6.4609 -5.5056 -5.5055 -4.2711 -4.2688 -4.2402 -4.2391 -4.1999 -4.1988 -3.4507 -3.4482 -3.4150 -3.4122 -2.5580 -2.5575 -2.4701 -2.4673 -2.4526 -2.4524 -2.4192 -2.4153 -2.3456 -2.3429 -2.3343 -2.3329 0.5853 0.5957 0.6058 0.6074 1.1526 1.1538 1.1597 1.1695 1.2662 1.2701 4.6807 4.6871 4.7379 4.7394 4.8023 4.8052 5.2406 5.2426 5.2766 5.2777 k = 0.1220 0.1220-0.0000 ( 5679 PWs) bands (ev): -17.0441 -17.0440 -16.8122 -16.8120 -16.8055 -16.8055 -16.8006 -16.8004 -10.6527 -10.6526 -6.5710 -6.5704 -6.4633 -6.4630 -6.4609 -6.4604 -5.5306 -5.5306 -4.2588 -4.2567 -4.2329 -4.2318 -4.1980 -4.1970 -3.4639 -3.4615 -3.4339 -3.4313 -2.5405 -2.5400 -2.4663 -2.4637 -2.4503 -2.4500 -2.4078 -2.4043 -2.3447 -2.3419 -2.3349 -2.3337 0.5820 0.5917 0.6003 0.6022 1.1448 1.1465 1.1511 1.1604 1.2578 1.2608 4.6852 4.6910 4.7337 4.7351 4.7880 4.7907 5.2419 5.2437 5.2719 5.2730 k = 0.1098 0.1098-0.0000 ( 5679 PWs) bands (ev): -17.0471 -17.0471 -16.8101 -16.8099 -16.8046 -16.8046 -16.8005 -16.8003 -10.6538 -10.6538 -6.5534 -6.5529 -6.4626 -6.4623 -6.4604 -6.4600 -5.5546 -5.5546 -4.2473 -4.2453 -4.2259 -4.2249 -4.1963 -4.1955 -3.4762 -3.4739 -3.4516 -3.4492 -2.5240 -2.5234 -2.4624 -2.4601 -2.4482 -2.4479 -2.3971 -2.3940 -2.3441 -2.3414 -2.3357 -2.3346 0.5790 0.5879 0.5949 0.5970 1.1376 1.1396 1.1430 1.1517 1.2499 1.2521 4.6899 4.6950 4.7302 4.7314 4.7750 4.7774 5.2430 5.2446 5.2675 5.2686 k = 0.0976 0.0976-0.0000 ( 5667 PWs) bands (ev): -17.0498 -17.0498 -16.8082 -16.8080 -16.8037 -16.8037 -16.8005 -16.8003 -10.6549 -10.6549 -6.5365 -6.5360 -6.4620 -6.4617 -6.4599 -6.4596 -5.5773 -5.5773 -4.2365 -4.2346 -4.2193 -4.2183 -4.1949 -4.1942 -3.4875 -3.4854 -3.4679 -3.4656 -2.5085 -2.5078 -2.4587 -2.4566 -2.4463 -2.4460 -2.3873 -2.3845 -2.3439 -2.3413 -2.3367 -2.3357 0.5764 0.5844 0.5899 0.5921 1.1310 1.1332 1.1354 1.1435 1.2425 1.2441 4.6946 4.6991 4.7272 4.7282 4.7633 4.7654 5.2439 5.2453 5.2634 5.2644 k = 0.0854 0.0854-0.0000 ( 5669 PWs) bands (ev): -17.0522 -17.0522 -16.8064 -16.8063 -16.8030 -16.8030 -16.8005 -16.8003 -10.6559 -10.6559 -6.5205 -6.5200 -6.4615 -6.4611 -6.4595 -6.4593 -5.5984 -5.5984 -4.2265 -4.2248 -4.2131 -4.2123 -4.1937 -4.1931 -3.4978 -3.4959 -3.4826 -3.4806 -2.4941 -2.4934 -2.4551 -2.4532 -2.4445 -2.4442 -2.3783 -2.3759 -2.3442 -2.3417 -2.3377 -2.3367 0.5741 0.5811 0.5851 0.5873 1.1250 1.1274 1.1285 1.1358 1.2357 1.2368 4.6992 4.7030 4.7248 4.7255 4.7530 4.7547 5.2446 5.2458 5.2597 5.2606 k = 0.0732 0.0732-0.0000 ( 5673 PWs) bands (ev): -17.0544 -17.0544 -16.8049 -16.8048 -16.8024 -16.8023 -16.8005 -16.8003 -10.6569 -10.6569 -6.5057 -6.5053 -6.4610 -6.4606 -6.4592 -6.4590 -5.6177 -5.6176 -4.2176 -4.2161 -4.2074 -4.2068 -4.1927 -4.1923 -3.5069 -3.5052 -3.4956 -3.4939 -2.4810 -2.4804 -2.4517 -2.4501 -2.4430 -2.4426 -2.3705 -2.3684 -2.3446 -2.3424 -2.3388 -2.3379 0.5721 0.5782 0.5807 0.5829 1.1197 1.1221 1.1225 1.1287 1.2296 1.2303 4.7034 4.7067 4.7229 4.7233 4.7441 4.7454 5.2452 5.2463 5.2563 5.2572 k = 0.0610 0.0610-0.0000 ( 5673 PWs) bands (ev): -17.0562 -17.0562 -16.8036 -16.8035 -16.8018 -16.8018 -16.8005 -16.8004 -10.6577 -10.6577 -6.4924 -6.4920 -6.4606 -6.4603 -6.4589 -6.4587 -5.6347 -5.6347 -4.2098 -4.2085 -4.2024 -4.2019 -4.1919 -4.1916 -3.5148 -3.5133 -3.5069 -3.5054 -2.4695 -2.4689 -2.4486 -2.4472 -2.4415 -2.4412 -2.3638 -2.3621 -2.3452 -2.3432 -2.3399 -2.3390 0.5704 0.5755 0.5769 0.5789 1.1153 1.1173 1.1175 1.1226 1.2243 1.2247 4.7072 4.7098 4.7214 4.7214 4.7367 4.7376 5.2457 5.2466 5.2535 5.2542 k = 0.0488 0.0488-0.0000 ( 5677 PWs) bands (ev): -17.0577 -17.0577 -16.8026 -16.8025 -16.8014 -16.8013 -16.8004 -16.8004 -10.6583 -10.6583 -6.4809 -6.4806 -6.4603 -6.4600 -6.4586 -6.4585 -5.6492 -5.6492 -4.2033 -4.2023 -4.1982 -4.1978 -4.1911 -4.1910 -3.5213 -3.5201 -3.5162 -3.5150 -2.4598 -2.4593 -2.4458 -2.4446 -2.4402 -2.4399 -2.3584 -2.3571 -2.3456 -2.3440 -2.3409 -2.3401 0.5692 0.5733 0.5737 0.5754 1.1116 1.1130 1.1136 1.1172 1.2199 1.2201 4.7105 4.7124 4.7198 4.7202 4.7309 4.7313 5.2461 5.2468 5.2511 5.2517 k = 0.0366 0.0366-0.0000 ( 5687 PWs) bands (ev): -17.0589 -17.0589 -16.8018 -16.8017 -16.8010 -16.8009 -16.8004 -16.8004 -10.6589 -10.6589 -6.4716 -6.4714 -6.4600 -6.4597 -6.4584 -6.4584 -5.6609 -5.6609 -4.1983 -4.1975 -4.1946 -4.1944 -4.1905 -4.1905 -3.5265 -3.5256 -3.5236 -3.5227 -2.4522 -2.4519 -2.4432 -2.4422 -2.4391 -2.4388 -2.3547 -2.3539 -2.3454 -2.3444 -2.3419 -2.3412 0.5683 0.5712 0.5713 0.5726 1.1088 1.1098 1.1105 1.1129 1.2164 1.2165 4.7129 4.7141 4.7183 4.7191 4.7269 4.7269 5.2464 5.2469 5.2493 5.2497 k = 0.0244 0.0244-0.0000 ( 5709 PWs) bands (ev): -17.0597 -17.0597 -16.8013 -16.8012 -16.8007 -16.8007 -16.8004 -16.8004 -10.6593 -10.6593 -6.4649 -6.4647 -6.4596 -6.4595 -6.4583 -6.4582 -5.6695 -5.6695 -4.1948 -4.1945 -4.1919 -4.1917 -4.1901 -4.1899 -3.5302 -3.5296 -3.5289 -3.5282 -2.4473 -2.4473 -2.4406 -2.4398 -2.4381 -2.4379 -2.3527 -2.3524 -2.3445 -2.3441 -2.3427 -2.3421 0.5678 0.5693 0.5697 0.5704 1.1068 1.1075 1.1081 1.1095 1.2138 1.2139 4.7145 4.7151 4.7168 4.7177 4.7245 4.7246 5.2467 5.2470 5.2479 5.2483 k = 0.0122 0.0122-0.0000 ( 5705 PWs) bands (ev): -17.0602 -17.0602 -16.8010 -16.8010 -16.8004 -16.8004 -16.8003 -16.8003 -10.6595 -10.6595 -6.4612 -6.4611 -6.4589 -6.4589 -6.4582 -6.4581 -5.6748 -5.6748 -4.1930 -4.1930 -4.1900 -4.1899 -4.1896 -4.1895 -3.5323 -3.5320 -3.5320 -3.5317 -2.4451 -2.4451 -2.4383 -2.4378 -2.4374 -2.4373 -2.3520 -2.3519 -2.3436 -2.3434 -2.3431 -2.3428 0.5677 0.5683 0.5686 0.5690 1.1059 1.1063 1.1066 1.1072 1.2123 1.2123 4.7154 4.7156 4.7158 4.7164 4.7237 4.7238 5.2468 5.2470 5.2472 5.2473 k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -17.0604 -17.0604 -16.8009 -16.8009 -16.8003 -16.8003 -16.8003 -16.8003 -10.6596 -10.6596 -6.4605 -6.4605 -6.4581 -6.4581 -6.4581 -6.4581 -5.6765 -5.6765 -4.1925 -4.1925 -4.1893 -4.1893 -4.1893 -4.1893 -3.5329 -3.5329 -3.5329 -3.5329 -2.4445 -2.4445 -2.4371 -2.4371 -2.4371 -2.4371 -2.3519 -2.3519 -2.3432 -2.3432 -2.3432 -2.3432 0.5681 0.5681 0.5681 0.5681 1.1060 1.1060 1.1060 1.1060 1.2118 1.2118 4.7157 4.7157 4.7157 4.7157 4.7236 4.7236 5.2470 5.2470 5.2470 5.2470 k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -17.0604 -17.0604 -16.8009 -16.8009 -16.8003 -16.8003 -16.8003 -16.8003 -10.6596 -10.6596 -6.4605 -6.4605 -6.4581 -6.4581 -6.4581 -6.4581 -5.6765 -5.6765 -4.1925 -4.1925 -4.1893 -4.1893 -4.1893 -4.1893 -3.5329 -3.5329 -3.5329 -3.5329 -2.4445 -2.4445 -2.4371 -2.4371 -2.4371 -2.4371 -2.3519 -2.3519 -2.3432 -2.3432 -2.3432 -2.3432 0.5681 0.5681 0.5681 0.5681 1.1060 1.1060 1.1060 1.1060 1.2118 1.2118 4.7157 4.7157 4.7157 4.7157 4.7236 4.7236 5.2470 5.2470 5.2470 5.2470 k = 0.0098 0.0098 0.0098 ( 5701 PWs) bands (ev): -17.0602 -17.0602 -16.8010 -16.8010 -16.8004 -16.8004 -16.8004 -16.8004 -10.6595 -10.6595 -6.4611 -6.4611 -6.4589 -6.4589 -6.4582 -6.4582 -5.6748 -5.6748 -4.1930 -4.1930 -4.1898 -4.1898 -4.1898 -4.1895 -3.5323 -3.5320 -3.5320 -3.5318 -2.4450 -2.4450 -2.4383 -2.4378 -2.4373 -2.4373 -2.3520 -2.3520 -2.3435 -2.3435 -2.3431 -2.3428 0.5677 0.5685 0.5685 0.5689 1.1059 1.1064 1.1064 1.1072 1.2123 1.2123 4.7154 4.7154 4.7159 4.7164 4.7238 4.7238 5.2470 5.2471 5.2471 5.2472 k = 0.0196 0.0196 0.0196 ( 5713 PWs) bands (ev): -17.0597 -17.0597 -16.8012 -16.8012 -16.8006 -16.8006 -16.8005 -16.8005 -10.6593 -10.6593 -6.4646 -6.4646 -6.4596 -6.4596 -6.4583 -6.4582 -5.6697 -5.6697 -4.1943 -4.1943 -4.1913 -4.1913 -4.1910 -4.1904 -3.5298 -3.5293 -3.5293 -3.5288 -2.4471 -2.4471 -2.4412 -2.4403 -2.4374 -2.4374 -2.3525 -2.3525 -2.3443 -2.3443 -2.3427 -2.3422 0.5677 0.5696 0.5696 0.5701 1.1068 1.1077 1.1077 1.1095 1.2138 1.2138 4.7144 4.7144 4.7171 4.7182 4.7246 4.7246 5.2472 5.2475 5.2475 5.2477 k = 0.0294 0.0294 0.0294 ( 5707 PWs) bands (ev): -17.0589 -17.0589 -16.8016 -16.8016 -16.8009 -16.8009 -16.8006 -16.8006 -10.6589 -10.6589 -6.4711 -6.4711 -6.4599 -6.4599 -6.4584 -6.4584 -5.6614 -5.6614 -4.1968 -4.1968 -4.1935 -4.1935 -4.1927 -4.1919 -3.5256 -3.5248 -3.5248 -3.5241 -2.4510 -2.4510 -2.4458 -2.4445 -2.4370 -2.4370 -2.3542 -2.3542 -2.3449 -2.3449 -2.3420 -2.3413 0.5682 0.5714 0.5714 0.5718 1.1088 1.1099 1.1099 1.1127 1.2163 1.2163 4.7122 4.7122 4.7194 4.7210 4.7265 4.7265 5.2476 5.2481 5.2481 5.2484 k = 0.0392 0.0392 0.0392 ( 5683 PWs) bands (ev): -17.0578 -17.0578 -16.8022 -16.8022 -16.8012 -16.8012 -16.8008 -16.8008 -10.6584 -10.6584 -6.4800 -6.4800 -6.4601 -6.4601 -6.4587 -6.4586 -5.6500 -5.6500 -4.2006 -4.2006 -4.1961 -4.1961 -4.1951 -4.1940 -3.5196 -3.5186 -3.5186 -3.5177 -2.4567 -2.4567 -2.4519 -2.4502 -2.4360 -2.4360 -2.3575 -2.3575 -2.3449 -2.3449 -2.3412 -2.3403 0.5691 0.5738 0.5740 0.5740 1.1118 1.1128 1.1128 1.1171 1.2198 1.2198 4.7088 4.7088 4.7227 4.7248 4.7297 4.7297 5.2483 5.2490 5.2490 5.2493 k = 0.0490 0.0490 0.0490 ( 5674 PWs) bands (ev): -17.0563 -17.0563 -16.8031 -16.8031 -16.8015 -16.8015 -16.8011 -16.8011 -10.6577 -10.6577 -6.4910 -6.4910 -6.4605 -6.4605 -6.4590 -6.4589 -5.6359 -5.6359 -4.2058 -4.2058 -4.1991 -4.1991 -4.1980 -4.1967 -3.5119 -3.5107 -3.5107 -3.5096 -2.4639 -2.4639 -2.4592 -2.4573 -2.4345 -2.4345 -2.3625 -2.3625 -2.3444 -2.3444 -2.3403 -2.3393 0.5704 0.5762 0.5772 0.5772 1.1159 1.1165 1.1165 1.1223 1.2241 1.2241 4.7044 4.7044 4.7270 4.7296 4.7341 4.7341 5.2492 5.2500 5.2500 5.2505 k = 0.0588 0.0588 0.0588 ( 5668 PWs) bands (ev): -17.0546 -17.0546 -16.8041 -16.8041 -16.8018 -16.8018 -16.8015 -16.8015 -10.6569 -10.6569 -6.5038 -6.5038 -6.4609 -6.4609 -6.4594 -6.4593 -5.6193 -5.6193 -4.2122 -4.2122 -4.2026 -4.2026 -4.2014 -4.1999 -3.5027 -3.5012 -3.5012 -3.4999 -2.4723 -2.4723 -2.4678 -2.4657 -2.4326 -2.4326 -2.3689 -2.3689 -2.3439 -2.3439 -2.3395 -2.3384 0.5720 0.5788 0.5809 0.5809 1.1208 1.1209 1.1209 1.1284 1.2294 1.2294 4.6992 4.6992 4.7323 4.7355 4.7395 4.7395 5.2502 5.2513 5.2513 5.2518 k = 0.0686 0.0686 0.0686 ( 5674 PWs) bands (ev): -17.0525 -17.0525 -16.8054 -16.8054 -16.8023 -16.8023 -16.8019 -16.8019 -10.6561 -10.6561 -6.5181 -6.5181 -6.4613 -6.4613 -6.4598 -6.4598 -5.6005 -5.6005 -4.2199 -4.2199 -4.2063 -4.2063 -4.2051 -4.2035 -3.4920 -3.4902 -3.4902 -3.4888 -2.4818 -2.4818 -2.4773 -2.4750 -2.4304 -2.4304 -2.3766 -2.3766 -2.3434 -2.3434 -2.3388 -2.3378 0.5739 0.5816 0.5850 0.5850 1.1260 1.1260 1.1267 1.1353 1.2354 1.2354 4.6933 4.6933 4.7386 4.7423 4.7461 4.7461 5.2515 5.2528 5.2528 5.2533 k = 0.0784 0.0784 0.0784 ( 5680 PWs) bands (ev): -17.0501 -17.0501 -16.8068 -16.8068 -16.8027 -16.8027 -16.8024 -16.8024 -10.6551 -10.6551 -6.5336 -6.5336 -6.4619 -6.4619 -6.4604 -6.4604 -5.5799 -5.5799 -4.2287 -4.2287 -4.2105 -4.2105 -4.2092 -4.2075 -3.4798 -3.4778 -3.4778 -3.4762 -2.4922 -2.4922 -2.4877 -2.4853 -2.4277 -2.4277 -2.3854 -2.3854 -2.3430 -2.3430 -2.3383 -2.3374 0.5760 0.5846 0.5896 0.5896 1.1316 1.1316 1.1334 1.1430 1.2423 1.2423 4.6871 4.6871 4.7460 4.7501 4.7536 4.7536 5.2529 5.2544 5.2544 5.2549 k = 0.0882 0.0882 0.0882 ( 5677 PWs) bands (ev): -17.0475 -17.0475 -16.8084 -16.8084 -16.8033 -16.8033 -16.8029 -16.8029 -10.6541 -10.6541 -6.5498 -6.5498 -6.4625 -6.4625 -6.4611 -6.4610 -5.5577 -5.5577 -4.2385 -4.2385 -4.2148 -4.2148 -4.2136 -4.2117 -3.4663 -3.4641 -3.4641 -3.4625 -2.5033 -2.5033 -2.4989 -2.4963 -2.4247 -2.4247 -2.3952 -2.3952 -2.3429 -2.3429 -2.3381 -2.3373 0.5784 0.5877 0.5945 0.5945 1.1378 1.1378 1.1408 1.1513 1.2498 1.2498 4.6807 4.6807 4.7543 4.7589 4.7622 4.7622 5.2544 5.2562 5.2562 5.2566 k = 0.0980 0.0980 0.0980 ( 5677 PWs) bands (ev): -17.0446 -17.0446 -16.8101 -16.8101 -16.8039 -16.8039 -16.8035 -16.8035 -10.6530 -10.6530 -6.5667 -6.5667 -6.4633 -6.4633 -6.4618 -6.4618 -5.5343 -5.5343 -4.2495 -4.2495 -4.2193 -4.2193 -4.2181 -4.2162 -3.4516 -3.4493 -3.4493 -3.4475 -2.5151 -2.5151 -2.5106 -2.5080 -2.4215 -2.4215 -2.4060 -2.4060 -2.3431 -2.3431 -2.3381 -2.3374 0.5809 0.5910 0.5997 0.5997 1.1445 1.1445 1.1488 1.1601 1.2578 1.2578 4.6743 4.6743 4.7637 4.7687 4.7718 4.7718 5.2560 5.2581 5.2581 5.2584 k = 0.1078 0.1078 0.1078 ( 5689 PWs) bands (ev): -17.0414 -17.0414 -16.8120 -16.8120 -16.8045 -16.8045 -16.8041 -16.8041 -10.6518 -10.6518 -6.5838 -6.5838 -6.4642 -6.4642 -6.4627 -6.4627 -5.5098 -5.5098 -4.2615 -4.2615 -4.2240 -4.2240 -4.2227 -4.2207 -3.4359 -3.4333 -3.4333 -3.4315 -2.5274 -2.5274 -2.5229 -2.5202 -2.4193 -2.4193 -2.4163 -2.4163 -2.3435 -2.3435 -2.3385 -2.3379 0.5836 0.5942 0.6050 0.6050 1.1515 1.1515 1.1573 1.1694 1.2664 1.2664 4.6681 4.6681 4.7740 4.7795 4.7823 4.7823 5.2577 5.2600 5.2600 5.2603 k = 0.1176 0.1176 0.1176 ( 5695 PWs) bands (ev): -17.0380 -17.0380 -16.8140 -16.8140 -16.8052 -16.8052 -16.8048 -16.8048 -10.6507 -10.6507 -6.6011 -6.6011 -6.4652 -6.4652 -6.4637 -6.4637 -5.4847 -5.4847 -4.2744 -4.2744 -4.2287 -4.2287 -4.2273 -4.2254 -3.4191 -3.4164 -3.4164 -3.4145 -2.5402 -2.5402 -2.5355 -2.5328 -2.4307 -2.4307 -2.4136 -2.4136 -2.3442 -2.3442 -2.3390 -2.3386 0.5863 0.5974 0.6103 0.6103 1.1588 1.1588 1.1663 1.1790 1.2753 1.2753 4.6624 4.6624 4.7853 4.7912 4.7938 4.7938 5.2594 5.2620 5.2620 5.2622 k = 0.1275 0.1275 0.1275 ( 5689 PWs) bands (ev): -17.0343 -17.0343 -16.8162 -16.8162 -16.8059 -16.8059 -16.8055 -16.8055 -10.6496 -10.6496 -6.6181 -6.6181 -6.4663 -6.4663 -6.4649 -6.4648 -5.4590 -5.4590 -4.2882 -4.2882 -4.2333 -4.2333 -4.2319 -4.2300 -3.4015 -3.3986 -3.3986 -3.3967 -2.5532 -2.5532 -2.5485 -2.5458 -2.4441 -2.4441 -2.4094 -2.4094 -2.3452 -2.3452 -2.3398 -2.3396 0.5891 0.6006 0.6157 0.6157 1.1663 1.1663 1.1756 1.1888 1.2845 1.2845 4.6573 4.6573 4.7976 4.8038 4.8063 4.8063 5.2612 5.2640 5.2640 5.2640 k = 0.1373 0.1373 0.1373 ( 5707 PWs) bands (ev): -17.0305 -17.0305 -16.8185 -16.8185 -16.8067 -16.8067 -16.8063 -16.8063 -10.6485 -10.6485 -6.6348 -6.6348 -6.4676 -6.4676 -6.4661 -6.4661 -5.4331 -5.4331 -4.3028 -4.3028 -4.2379 -4.2379 -4.2364 -4.2345 -3.3832 -3.3801 -3.3801 -3.3782 -2.5665 -2.5665 -2.5617 -2.5590 -2.4582 -2.4582 -2.4050 -2.4050 -2.3463 -2.3463 -2.3408 -2.3408 0.5918 0.6037 0.6209 0.6209 1.1739 1.1739 1.1850 1.1987 1.2938 1.2938 4.6531 4.6531 4.8108 4.8172 4.8196 4.8196 5.2629 5.2658 5.2659 5.2659 k = 0.1471 0.1471 0.1471 ( 5710 PWs) bands (ev): -17.0264 -17.0264 -16.8208 -16.8208 -16.8076 -16.8076 -16.8071 -16.8071 -10.6474 -10.6474 -6.6510 -6.6510 -6.4690 -6.4690 -6.4676 -6.4675 -5.4072 -5.4072 -4.3181 -4.3181 -4.2423 -4.2423 -4.2408 -4.2389 -3.3641 -3.3610 -3.3610 -3.3590 -2.5799 -2.5799 -2.5750 -2.5723 -2.4730 -2.4730 -2.4002 -2.4002 -2.3476 -2.3476 -2.3421 -2.3419 0.5946 0.6067 0.6260 0.6260 1.1815 1.1815 1.1945 1.2085 1.3032 1.3032 4.6500 4.6500 4.8248 4.8316 4.8338 4.8338 5.2645 5.2676 5.2678 5.2678 k = 0.1569 0.1569 0.1569 ( 5710 PWs) bands (ev): -17.0222 -17.0222 -16.8232 -16.8232 -16.8084 -16.8084 -16.8080 -16.8080 -10.6465 -10.6465 -6.6666 -6.6666 -6.4705 -6.4705 -6.4691 -6.4691 -5.3814 -5.3814 -4.3339 -4.3339 -4.2465 -4.2465 -4.2449 -4.2432 -3.3446 -3.3414 -3.3414 -3.3394 -2.5933 -2.5933 -2.5883 -2.5856 -2.4884 -2.4884 -2.3953 -2.3953 -2.3490 -2.3490 -2.3436 -2.3432 0.5973 0.6095 0.6308 0.6308 1.1891 1.1891 1.2039 1.2181 1.3124 1.3124 4.6482 4.6482 4.8397 4.8467 4.8488 4.8488 5.2661 5.2692 5.2696 5.2696 k = 0.1667 0.1667 0.1667 ( 5677 PWs) bands (ev): -17.0178 -17.0178 -16.8257 -16.8257 -16.8093 -16.8093 -16.8089 -16.8089 -10.6456 -10.6456 -6.6813 -6.6813 -6.4722 -6.4722 -6.4708 -6.4708 -5.3562 -5.3562 -4.3502 -4.3502 -4.2504 -4.2504 -4.2488 -4.2471 -3.3246 -3.3213 -3.3213 -3.3193 -2.6066 -2.6066 -2.6016 -2.5989 -2.5043 -2.5043 -2.3900 -2.3900 -2.3505 -2.3505 -2.3451 -2.3445 0.5999 0.6123 0.6355 0.6355 1.1966 1.1966 1.2132 1.2275 1.3215 1.3215 4.6477 4.6477 4.8554 4.8625 4.8645 4.8645 5.2676 5.2706 5.2712 5.2712 k = 0.1765 0.1765 0.1765 ( 5698 PWs) bands (ev): -17.0133 -17.0133 -16.8282 -16.8282 -16.8102 -16.8102 -16.8098 -16.8098 -10.6448 -10.6448 -6.6951 -6.6951 -6.4741 -6.4741 -6.4727 -6.4727 -5.3317 -5.3317 -4.3666 -4.3666 -4.2542 -4.2542 -4.2524 -4.2509 -3.3043 -3.3009 -3.3009 -3.2990 -2.6199 -2.6199 -2.6148 -2.6121 -2.5207 -2.5207 -2.3847 -2.3847 -2.3520 -2.3520 -2.3467 -2.3459 0.6023 0.6147 0.6397 0.6397 1.2036 1.2036 1.2219 1.2364 1.3300 1.3300 4.6488 4.6488 4.8718 4.8790 4.8810 4.8810 5.2689 5.2719 5.2727 5.2727 k = 0.1863 0.1863 0.1863 ( 5692 PWs) bands (ev): -17.0087 -17.0087 -16.8307 -16.8307 -16.8112 -16.8112 -16.8108 -16.8108 -10.6442 -10.6442 -6.7078 -6.7078 -6.4761 -6.4761 -6.4747 -6.4747 -5.3081 -5.3081 -4.3831 -4.3831 -4.2576 -4.2576 -4.2558 -4.2543 -3.2838 -3.2804 -3.2804 -3.2786 -2.6329 -2.6329 -2.6277 -2.6251 -2.5374 -2.5374 -2.3791 -2.3791 -2.3535 -2.3535 -2.3482 -2.3472 0.6047 0.6170 0.6435 0.6435 1.2104 1.2104 1.2303 1.2448 1.3382 1.3382 4.6516 4.6516 4.8889 4.8961 4.8980 4.8980 5.2700 5.2729 5.2739 5.2739 k = 0.1961 0.1961 0.1961 ( 5689 PWs) bands (ev): -17.0040 -17.0040 -16.8333 -16.8333 -16.8122 -16.8122 -16.8118 -16.8117 -10.6438 -10.6438 -6.7193 -6.7193 -6.4783 -6.4783 -6.4769 -6.4769 -5.2859 -5.2859 -4.3993 -4.3993 -4.2606 -4.2606 -4.2587 -4.2575 -3.2633 -3.2599 -3.2599 -3.2581 -2.6456 -2.6456 -2.6404 -2.6379 -2.5545 -2.5545 -2.3734 -2.3734 -2.3549 -2.3549 -2.3497 -2.3485 0.6068 0.6190 0.6469 0.6469 1.2167 1.2167 1.2381 1.2525 1.3458 1.3458 4.6561 4.6561 4.9065 4.9137 4.9155 4.9155 5.2709 5.2736 5.2749 5.2749 k = 0.2059 0.2059 0.2059 ( 5689 PWs) bands (ev): -16.9993 -16.9993 -16.8358 -16.8358 -16.8132 -16.8132 -16.8128 -16.8127 -10.6435 -10.6435 -6.7297 -6.7297 -6.4807 -6.4807 -6.4793 -6.4792 -5.2653 -5.2653 -4.4149 -4.4149 -4.2633 -4.2633 -4.2614 -4.2603 -3.2428 -3.2394 -3.2394 -3.2377 -2.6580 -2.6580 -2.6527 -2.6503 -2.5718 -2.5718 -2.3677 -2.3677 -2.3560 -2.3560 -2.3510 -2.3495 0.6088 0.6208 0.6499 0.6499 1.2226 1.2226 1.2452 1.2595 1.3527 1.3527 4.6626 4.6626 4.9246 4.9316 4.9335 4.9335 5.2716 5.2741 5.2756 5.2756 k = 0.2157 0.2157 0.2157 ( 5701 PWs) bands (ev): -16.9946 -16.9946 -16.8382 -16.8382 -16.8142 -16.8142 -16.8138 -16.8138 -10.6434 -10.6434 -6.7387 -6.7387 -6.4832 -6.4832 -6.4818 -6.4817 -5.2467 -5.2467 -4.4297 -4.4297 -4.2657 -4.2657 -4.2637 -4.2627 -3.2225 -3.2190 -3.2190 -3.2174 -2.6700 -2.6700 -2.6646 -2.6624 -2.5893 -2.5893 -2.3621 -2.3621 -2.3566 -2.3566 -2.3520 -2.3504 0.6105 0.6222 0.6523 0.6523 1.2278 1.2278 1.2516 1.2657 1.3588 1.3588 4.6709 4.6709 4.9430 4.9499 4.9518 4.9518 5.2720 5.2743 5.2760 5.2760 k = 0.2255 0.2255 0.2255 ( 5686 PWs) bands (ev): -16.9898 -16.9898 -16.8406 -16.8406 -16.8152 -16.8152 -16.8148 -16.8148 -10.6435 -10.6435 -6.7463 -6.7463 -6.4858 -6.4858 -6.4844 -6.4844 -5.2305 -5.2305 -4.4433 -4.4433 -4.2677 -4.2677 -4.2656 -4.2648 -3.2024 -3.1990 -3.1990 -3.1975 -2.6815 -2.6815 -2.6761 -2.6740 -2.6069 -2.6069 -2.3592 -2.3592 -2.3542 -2.3542 -2.3528 -2.3510 0.6120 0.6235 0.6543 0.6543 1.2325 1.2325 1.2572 1.2711 1.3643 1.3643 4.6812 4.6812 4.9617 4.9684 4.9703 4.9703 5.2722 5.2742 5.2761 5.2761 k = 0.2353 0.2353 0.2353 ( 5680 PWs) bands (ev): -16.9852 -16.9852 -16.8429 -16.8429 -16.8162 -16.8162 -16.8158 -16.8158 -10.6437 -10.6437 -6.7525 -6.7525 -6.4886 -6.4886 -6.4872 -6.4872 -5.2170 -5.2170 -4.4552 -4.4552 -4.2693 -4.2693 -4.2671 -4.2664 -3.1827 -3.1795 -3.1795 -3.1780 -2.6925 -2.6925 -2.6870 -2.6851 -2.6247 -2.6247 -2.3590 -2.3590 -2.3533 -2.3513 -2.3487 -2.3487 0.6133 0.6246 0.6558 0.6558 1.2365 1.2365 1.2619 1.2755 1.3688 1.3688 4.6934 4.6934 4.9806 4.9869 4.9889 4.9889 5.2722 5.2737 5.2758 5.2758 k = 0.2451 0.2451 0.2451 ( 5680 PWs) bands (ev): -16.9806 -16.9806 -16.8450 -16.8450 -16.8173 -16.8173 -16.8169 -16.8169 -10.6442 -10.6442 -6.7573 -6.7573 -6.4916 -6.4916 -6.4902 -6.4901 -5.2066 -5.2066 -4.4651 -4.4651 -4.2705 -4.2705 -4.2683 -4.2678 -3.1636 -3.1604 -3.1604 -3.1591 -2.7030 -2.7030 -2.6974 -2.6957 -2.6424 -2.6424 -2.3589 -2.3589 -2.3533 -2.3511 -2.3426 -2.3426 0.6144 0.6253 0.6567 0.6567 1.2398 1.2398 1.2656 1.2789 1.3725 1.3725 4.7075 4.7075 4.9994 5.0053 5.0074 5.0074 5.2718 5.2729 5.2753 5.2753 k = 0.2549 0.2549 0.2549 ( 5692 PWs) bands (ev): -16.9762 -16.9762 -16.8470 -16.8470 -16.8183 -16.8183 -16.8179 -16.8179 -10.6449 -10.6449 -6.7605 -6.7605 -6.4947 -6.4947 -6.4933 -6.4932 -5.1998 -5.1998 -4.4726 -4.4726 -4.2714 -4.2714 -4.2691 -4.2687 -3.1450 -3.1421 -3.1421 -3.1408 -2.7129 -2.7129 -2.7072 -2.7058 -2.6602 -2.6602 -2.3583 -2.3583 -2.3529 -2.3505 -2.3364 -2.3364 0.6151 0.6257 0.6571 0.6571 1.2424 1.2424 1.2684 1.2813 1.3752 1.3752 4.7234 4.7234 5.0182 5.0235 5.0258 5.0258 5.2712 5.2718 5.2744 5.2744 k = 0.2647 0.2647 0.2647 ( 5698 PWs) bands (ev): -16.9719 -16.9719 -16.8488 -16.8488 -16.8194 -16.8194 -16.8190 -16.8190 -10.6459 -10.6459 -6.7622 -6.7622 -6.4979 -6.4979 -6.4965 -6.4964 -5.1966 -5.1966 -4.4775 -4.4775 -4.2719 -4.2719 -4.2695 -4.2694 -3.1272 -3.1244 -3.1244 -3.1233 -2.7222 -2.7222 -2.7165 -2.7153 -2.6778 -2.6778 -2.3573 -2.3573 -2.3519 -2.3494 -2.3302 -2.3302 0.6157 0.6258 0.6570 0.6570 1.2443 1.2443 1.2703 1.2828 1.3771 1.3771 4.7411 4.7411 5.0367 5.0414 5.0439 5.0439 5.2704 5.2704 5.2732 5.2732 k = 0.2745 0.2745 0.2745 ( 5698 PWs) bands (ev): -16.9679 -16.9679 -16.8503 -16.8503 -16.8204 -16.8204 -16.8200 -16.8200 -10.6470 -10.6470 -6.7625 -6.7625 -6.5011 -6.5011 -6.4998 -6.4997 -5.1975 -5.1975 -4.4796 -4.4796 -4.2721 -4.2721 -4.2696 -4.2696 -3.1102 -3.1077 -3.1077 -3.1067 -2.7309 -2.7309 -2.7251 -2.7242 -2.6953 -2.6953 -2.3557 -2.3557 -2.3503 -2.3477 -2.3240 -2.3240 0.6159 0.6257 0.6563 0.6563 1.2455 1.2455 1.2713 1.2834 1.3782 1.3782 4.7605 4.7605 5.0549 5.0588 5.0615 5.0615 5.2687 5.2694 5.2717 5.2717 k = 0.2843 0.2843 0.2843 ( 5713 PWs) bands (ev): -16.9641 -16.9641 -16.8516 -16.8516 -16.8214 -16.8214 -16.8210 -16.8210 -10.6483 -10.6483 -6.7612 -6.7612 -6.5045 -6.5045 -6.5031 -6.5030 -5.2023 -5.2023 -4.4787 -4.4787 -4.2719 -4.2719 -4.2696 -4.2694 -3.0941 -3.0919 -3.0919 -3.0909 -2.7391 -2.7391 -2.7331 -2.7325 -2.7126 -2.7126 -2.3535 -2.3535 -2.3481 -2.3455 -2.3178 -2.3178 0.6159 0.6253 0.6552 0.6552 1.2460 1.2460 1.2713 1.2830 1.3783 1.3783 4.7813 4.7813 5.0726 5.0757 5.0786 5.0786 5.2668 5.2682 5.2699 5.2699 k = 0.2941 0.2941 0.2941 ( 5728 PWs) bands (ev): -16.9607 -16.9607 -16.8526 -16.8526 -16.8224 -16.8224 -16.8220 -16.8220 -10.6497 -10.6497 -6.7584 -6.7584 -6.5080 -6.5080 -6.5066 -6.5065 -5.2110 -5.2110 -4.4749 -4.4749 -4.2714 -4.2714 -4.2692 -4.2689 -3.0789 -3.0771 -3.0771 -3.0762 -2.7469 -2.7469 -2.7405 -2.7403 -2.7295 -2.7295 -2.3507 -2.3507 -2.3453 -2.3425 -2.3118 -2.3118 0.6157 0.6246 0.6535 0.6535 1.2459 1.2459 1.2705 1.2817 1.3777 1.3777 4.8035 4.8035 5.0896 5.0918 5.0951 5.0951 5.2647 5.2669 5.2679 5.2679 k = 0.3039 0.3039 0.3039 ( 5734 PWs) bands (ev): -16.9576 -16.9576 -16.8533 -16.8533 -16.8234 -16.8234 -16.8230 -16.8230 -10.6514 -10.6514 -6.7541 -6.7541 -6.5115 -6.5115 -6.5101 -6.5099 -5.2234 -5.2234 -4.4684 -4.4684 -4.2707 -4.2707 -4.2686 -4.2682 -3.0648 -3.0634 -3.0634 -3.0625 -2.7549 -2.7549 -2.7474 -2.7473 -2.7452 -2.7452 -2.3471 -2.3471 -2.3417 -2.3390 -2.3058 -2.3058 0.6151 0.6236 0.6514 0.6514 1.2453 1.2453 1.2689 1.2796 1.3764 1.3764 4.8270 4.8270 5.1060 5.1070 5.1108 5.1108 5.2623 5.2655 5.2658 5.2658 k = 0.3137 0.3137 0.3137 ( 5728 PWs) bands (ev): -16.9548 -16.9548 -16.8536 -16.8536 -16.8244 -16.8244 -16.8240 -16.8240 -10.6532 -10.6532 -6.7485 -6.7485 -6.5150 -6.5150 -6.5136 -6.5134 -5.2392 -5.2392 -4.4595 -4.4595 -4.2697 -4.2697 -4.2677 -4.2671 -3.0516 -3.0507 -3.0507 -3.0499 -2.7665 -2.7665 -2.7566 -2.7566 -2.7540 -2.7536 -2.3429 -2.3429 -2.3375 -2.3347 -2.2999 -2.2999 0.6144 0.6224 0.6488 0.6488 1.2441 1.2441 1.2666 1.2768 1.3745 1.3745 4.8514 4.8514 5.1214 5.1215 5.1256 5.1256 5.2599 5.2635 5.2635 5.2641 k = 0.3235 0.3235 0.3235 ( 5722 PWs) bands (ev): -16.9524 -16.9524 -16.8537 -16.8537 -16.8253 -16.8253 -16.8249 -16.8249 -10.6551 -10.6551 -6.7415 -6.7415 -6.5185 -6.5185 -6.5171 -6.5170 -5.2579 -5.2579 -4.4485 -4.4485 -4.2685 -4.2685 -4.2665 -4.2659 -3.0396 -3.0392 -3.0392 -3.0383 -2.7817 -2.7817 -2.7634 -2.7634 -2.7601 -2.7594 -2.3380 -2.3380 -2.3326 -2.3299 -2.2941 -2.2941 0.6134 0.6210 0.6459 0.6459 1.2425 1.2425 1.2637 1.2733 1.3720 1.3720 4.8765 4.8765 5.1347 5.1361 5.1394 5.1394 5.2575 5.2613 5.2613 5.2628 k = 0.3333 0.3333 0.3333 ( 5728 PWs) bands (ev): -16.9503 -16.9503 -16.8533 -16.8533 -16.8262 -16.8262 -16.8258 -16.8258 -10.6571 -10.6571 -6.7332 -6.7332 -6.5221 -6.5221 -6.5206 -6.5205 -5.2792 -5.2792 -4.4357 -4.4357 -4.2670 -4.2670 -4.2652 -4.2645 -3.0287 -3.0287 -3.0286 -3.0278 -2.7974 -2.7974 -2.7690 -2.7690 -2.7658 -2.7647 -2.3325 -2.3325 -2.3271 -2.3244 -2.2885 -2.2885 0.6122 0.6193 0.6425 0.6425 1.2404 1.2404 1.2602 1.2693 1.3690 1.3690 4.9023 4.9023 5.1468 5.1496 5.1522 5.1522 5.2552 5.2591 5.2591 5.2617 k = 0.3431 0.3431 0.3431 ( 5728 PWs) bands (ev): -16.9487 -16.9487 -16.8527 -16.8527 -16.8271 -16.8271 -16.8267 -16.8267 -10.6592 -10.6592 -6.7237 -6.7237 -6.5255 -6.5255 -6.5241 -6.5239 -5.3026 -5.3026 -4.4216 -4.4216 -4.2655 -4.2655 -4.2637 -4.2629 -3.0193 -3.0193 -3.0186 -3.0183 -2.8128 -2.8128 -2.7739 -2.7739 -2.7710 -2.7696 -2.3264 -2.3264 -2.3210 -2.3184 -2.2831 -2.2831 0.6107 0.6174 0.6388 0.6388 1.2380 1.2380 1.2562 1.2648 1.3656 1.3656 4.9283 4.9283 5.1577 5.1620 5.1637 5.1637 5.2530 5.2572 5.2572 5.2608 k = 0.3529 0.3529 0.3529 ( 5722 PWs) bands (ev): -16.9474 -16.9474 -16.8518 -16.8518 -16.8279 -16.8279 -16.8275 -16.8275 -10.6613 -10.6613 -6.7131 -6.7131 -6.5289 -6.5289 -6.5275 -6.5273 -5.3276 -5.3276 -4.4064 -4.4064 -4.2638 -4.2638 -4.2621 -4.2612 -3.0109 -3.0109 -3.0097 -3.0096 -2.8279 -2.8279 -2.7783 -2.7783 -2.7758 -2.7742 -2.3198 -2.3198 -2.3144 -2.3120 -2.2779 -2.2779 0.6091 0.6153 0.6348 0.6348 1.2354 1.2354 1.2519 1.2599 1.3619 1.3619 4.9545 4.9545 5.1673 5.1731 5.1739 5.1739 5.2511 5.2556 5.2556 5.2602 k = 0.3627 0.3627 0.3627 ( 5722 PWs) bands (ev): -16.9465 -16.9465 -16.8506 -16.8506 -16.8287 -16.8287 -16.8283 -16.8283 -10.6635 -10.6635 -6.7015 -6.7015 -6.5323 -6.5323 -6.5308 -6.5306 -5.3538 -5.3538 -4.3907 -4.3907 -4.2620 -4.2620 -4.2603 -4.2595 -3.0033 -3.0033 -3.0020 -3.0015 -2.8425 -2.8425 -2.7824 -2.7824 -2.7803 -2.7784 -2.3128 -2.3128 -2.3075 -2.3051 -2.2729 -2.2729 0.6073 0.6131 0.6306 0.6306 1.2325 1.2325 1.2473 1.2548 1.3580 1.3580 4.9805 4.9805 5.1755 5.1827 5.1827 5.1828 5.2498 5.2545 5.2545 5.2602 k = 0.3725 0.3725 0.3725 ( 5728 PWs) bands (ev): -16.9458 -16.9458 -16.8493 -16.8493 -16.8295 -16.8295 -16.8291 -16.8291 -10.6657 -10.6657 -6.6892 -6.6892 -6.5355 -6.5355 -6.5340 -6.5338 -5.3808 -5.3808 -4.3747 -4.3747 -4.2601 -4.2601 -4.2585 -4.2577 -2.9966 -2.9966 -2.9951 -2.9942 -2.8565 -2.8565 -2.7862 -2.7862 -2.7845 -2.7824 -2.3056 -2.3056 -2.3002 -2.2980 -2.2682 -2.2682 0.6054 0.6107 0.6263 0.6263 1.2295 1.2295 1.2426 1.2494 1.3539 1.3539 5.0061 5.0061 5.1822 5.1899 5.1899 5.1909 5.2491 5.2541 5.2541 5.2606 k = 0.3824 0.3824 0.3824 ( 5722 PWs) bands (ev): -16.9454 -16.9454 -16.8478 -16.8478 -16.8302 -16.8302 -16.8298 -16.8298 -10.6678 -10.6678 -6.6762 -6.6762 -6.5386 -6.5386 -6.5371 -6.5369 -5.4082 -5.4082 -4.3586 -4.3586 -4.2582 -4.2582 -4.2567 -4.2558 -2.9907 -2.9907 -2.9889 -2.9877 -2.8699 -2.8699 -2.7898 -2.7898 -2.7884 -2.7862 -2.2981 -2.2981 -2.2927 -2.2907 -2.2637 -2.2637 0.6034 0.6082 0.6218 0.6218 1.2265 1.2265 1.2377 1.2441 1.3497 1.3497 5.0311 5.0311 5.1876 5.1954 5.1954 5.1972 5.2494 5.2546 5.2546 5.2616 k = 0.3922 0.3922 0.3922 ( 5713 PWs) bands (ev): -16.9452 -16.9452 -16.8461 -16.8461 -16.8309 -16.8309 -16.8305 -16.8305 -10.6699 -10.6699 -6.6627 -6.6627 -6.5415 -6.5415 -6.5400 -6.5398 -5.4356 -5.4356 -4.3428 -4.3428 -4.2563 -4.2563 -4.2549 -4.2540 -2.9854 -2.9854 -2.9834 -2.9820 -2.8826 -2.8826 -2.7931 -2.7931 -2.7920 -2.7898 -2.2906 -2.2906 -2.2852 -2.2834 -2.2595 -2.2595 0.6013 0.6057 0.6174 0.6174 1.2235 1.2235 1.2330 1.2387 1.3456 1.3456 5.0552 5.0552 5.1917 5.1993 5.1993 5.2017 5.2508 5.2559 5.2559 5.2631 k = 0.4020 0.4020 0.4020 ( 5718 PWs) bands (ev): -16.9452 -16.9452 -16.8445 -16.8445 -16.8315 -16.8315 -16.8311 -16.8311 -10.6719 -10.6719 -6.6489 -6.6489 -6.5443 -6.5443 -6.5427 -6.5426 -5.4624 -5.4624 -4.3276 -4.3276 -4.2545 -4.2545 -4.2531 -4.2522 -2.9808 -2.9808 -2.9784 -2.9768 -2.8945 -2.8945 -2.7962 -2.7962 -2.7955 -2.7932 -2.2833 -2.2833 -2.2778 -2.2761 -2.2555 -2.2555 0.5992 0.6032 0.6130 0.6130 1.2204 1.2204 1.2283 1.2335 1.3416 1.3416 5.0781 5.0781 5.1947 5.2018 5.2018 5.2044 5.2532 5.2581 5.2581 5.2649 k = 0.4118 0.4118 0.4118 ( 5718 PWs) bands (ev): -16.9453 -16.9453 -16.8429 -16.8429 -16.8321 -16.8321 -16.8317 -16.8317 -10.6739 -10.6739 -6.6352 -6.6352 -6.5468 -6.5468 -6.5453 -6.5451 -5.4885 -5.4885 -4.3131 -4.3131 -4.2528 -4.2528 -4.2514 -4.2505 -2.9767 -2.9767 -2.9740 -2.9723 -2.9055 -2.9055 -2.7991 -2.7991 -2.7987 -2.7964 -2.2761 -2.2761 -2.2707 -2.2691 -2.2519 -2.2519 0.5972 0.6007 0.6087 0.6087 1.2175 1.2175 1.2238 1.2285 1.3377 1.3377 5.0996 5.0996 5.1968 5.2030 5.2030 5.2057 5.2562 5.2607 5.2607 5.2671 k = 0.4216 0.4216 0.4216 ( 5715 PWs) bands (ev): -16.9454 -16.9454 -16.8413 -16.8413 -16.8326 -16.8326 -16.8322 -16.8322 -10.6757 -10.6757 -6.6217 -6.6217 -6.5492 -6.5492 -6.5476 -6.5475 -5.5133 -5.5133 -4.2995 -4.2995 -4.2511 -4.2511 -4.2497 -4.2489 -2.9731 -2.9731 -2.9700 -2.9683 -2.9157 -2.9157 -2.8018 -2.8018 -2.8017 -2.7995 -2.2694 -2.2694 -2.2638 -2.2625 -2.2486 -2.2486 0.5952 0.5983 0.6046 0.6046 1.2148 1.2148 1.2196 1.2238 1.3341 1.3341 5.1196 5.1196 5.1981 5.2034 5.2034 5.2061 5.2597 5.2637 5.2637 5.2693 k = 0.4314 0.4314 0.4314 ( 5715 PWs) bands (ev): -16.9457 -16.9457 -16.8398 -16.8398 -16.8330 -16.8330 -16.8326 -16.8326 -10.6773 -10.6773 -6.6087 -6.6087 -6.5513 -6.5513 -6.5497 -6.5496 -5.5365 -5.5365 -4.2871 -4.2871 -4.2496 -4.2496 -4.2482 -4.2475 -2.9700 -2.9700 -2.9665 -2.9648 -2.9248 -2.9248 -2.8044 -2.8043 -2.8043 -2.8023 -2.2631 -2.2631 -2.2575 -2.2563 -2.2456 -2.2456 0.5933 0.5960 0.6008 0.6008 1.2122 1.2122 1.2158 1.2194 1.3308 1.3308 5.1377 5.1377 5.1989 5.2033 5.2033 5.2058 5.2632 5.2666 5.2666 5.2715 k = 0.4412 0.4412 0.4412 ( 5721 PWs) bands (ev): -16.9459 -16.9459 -16.8384 -16.8384 -16.8334 -16.8334 -16.8330 -16.8330 -10.6788 -10.6788 -6.5966 -6.5966 -6.5532 -6.5532 -6.5515 -6.5515 -5.5577 -5.5577 -4.2760 -4.2760 -4.2482 -4.2482 -4.2468 -4.2462 -2.9673 -2.9673 -2.9634 -2.9618 -2.9328 -2.9328 -2.8068 -2.8066 -2.8066 -2.8049 -2.2575 -2.2575 -2.2517 -2.2507 -2.2429 -2.2429 0.5916 0.5939 0.5973 0.5973 1.2099 1.2099 1.2124 1.2155 1.3278 1.3278 5.1538 5.1538 5.1994 5.2028 5.2028 5.2052 5.2665 5.2694 5.2694 5.2735 k = 0.4510 0.4510 0.4510 ( 5724 PWs) bands (ev): -16.9462 -16.9462 -16.8373 -16.8373 -16.8338 -16.8338 -16.8334 -16.8334 -10.6800 -10.6800 -6.5856 -6.5856 -6.5548 -6.5548 -6.5531 -6.5531 -5.5765 -5.5765 -4.2663 -4.2663 -4.2470 -4.2470 -4.2456 -4.2451 -2.9652 -2.9652 -2.9608 -2.9593 -2.9397 -2.9397 -2.8089 -2.8086 -2.8086 -2.8073 -2.2527 -2.2527 -2.2466 -2.2458 -2.2405 -2.2405 0.5901 0.5920 0.5942 0.5942 1.2079 1.2079 1.2094 1.2120 1.3252 1.3252 5.1678 5.1678 5.1997 5.2023 5.2023 5.2044 5.2696 5.2719 5.2719 5.2752 k = 0.4608 0.4608 0.4608 ( 5724 PWs) bands (ev): -16.9464 -16.9464 -16.8363 -16.8363 -16.8340 -16.8340 -16.8336 -16.8336 -10.6811 -10.6811 -6.5760 -6.5760 -6.5561 -6.5561 -6.5544 -6.5544 -5.5925 -5.5925 -4.2583 -4.2583 -4.2459 -4.2459 -4.2446 -4.2441 -2.9635 -2.9635 -2.9585 -2.9573 -2.9453 -2.9453 -2.8107 -2.8103 -2.8103 -2.8093 -2.2487 -2.2487 -2.2423 -2.2417 -2.2385 -2.2385 0.5888 0.5903 0.5917 0.5917 1.2062 1.2062 1.2070 1.2091 1.3231 1.3231 5.1794 5.1794 5.1999 5.2016 5.2016 5.2035 5.2722 5.2741 5.2741 5.2766 k = 0.4706 0.4706 0.4706 ( 5724 PWs) bands (ev): -16.9466 -16.9466 -16.8355 -16.8355 -16.8342 -16.8342 -16.8339 -16.8339 -10.6820 -10.6820 -6.5683 -6.5683 -6.5570 -6.5570 -6.5555 -6.5554 -5.6053 -5.6053 -4.2520 -4.2520 -4.2450 -4.2450 -4.2437 -4.2434 -2.9624 -2.9624 -2.9567 -2.9557 -2.9495 -2.9495 -2.8120 -2.8117 -2.8117 -2.8110 -2.2457 -2.2457 -2.2389 -2.2384 -2.2367 -2.2367 0.5879 0.5890 0.5896 0.5896 1.2049 1.2049 1.2052 1.2067 1.3213 1.3213 5.1885 5.1885 5.2000 5.2011 5.2011 5.2027 5.2744 5.2758 5.2758 5.2776 k = 0.4804 0.4804 0.4804 ( 5724 PWs) bands (ev): -16.9467 -16.9467 -16.8350 -16.8350 -16.8343 -16.8343 -16.8340 -16.8340 -10.6826 -10.6826 -6.5627 -6.5627 -6.5576 -6.5576 -6.5562 -6.5562 -5.6147 -5.6147 -4.2476 -4.2476 -4.2442 -4.2442 -4.2431 -4.2429 -2.9619 -2.9619 -2.9554 -2.9547 -2.9523 -2.9523 -2.8130 -2.8127 -2.8127 -2.8122 -2.2435 -2.2435 -2.2364 -2.2360 -2.2354 -2.2354 0.5872 0.5879 0.5881 0.5881 1.2039 1.2039 1.2039 1.2049 1.3201 1.3201 5.1951 5.1951 5.2002 5.2007 5.2007 5.2020 5.2761 5.2771 5.2771 5.2782 k = 0.4902 0.4902 0.4902 ( 5724 PWs) bands (ev): -16.9468 -16.9468 -16.8348 -16.8348 -16.8342 -16.8342 -16.8341 -16.8341 -10.6829 -10.6829 -6.5599 -6.5599 -6.5574 -6.5574 -6.5567 -6.5566 -5.6205 -5.6205 -4.2455 -4.2455 -4.2431 -4.2431 -4.2427 -4.2426 -2.9619 -2.9619 -2.9545 -2.9541 -2.9536 -2.9536 -2.8135 -2.8133 -2.8133 -2.8131 -2.2423 -2.2423 -2.2348 -2.2346 -2.2345 -2.2345 0.5868 0.5872 0.5872 0.5872 1.2032 1.2034 1.2034 1.2037 1.3194 1.3194 5.1990 5.1990 5.2005 5.2006 5.2006 5.2014 5.2773 5.2778 5.2778 5.2784 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -16.9468 -16.9468 -16.8347 -16.8347 -16.8341 -16.8341 -16.8341 -16.8341 -10.6830 -10.6830 -6.5594 -6.5594 -6.5568 -6.5568 -6.5568 -6.5568 -5.6224 -5.6224 -4.2450 -4.2450 -4.2425 -4.2425 -4.2425 -4.2425 -2.9619 -2.9619 -2.9540 -2.9540 -2.9540 -2.9540 -2.8135 -2.8135 -2.8135 -2.8135 -2.2418 -2.2418 -2.2341 -2.2341 -2.2341 -2.2341 0.5872 0.5872 0.5872 0.5872 1.2034 1.2034 1.2034 1.2034 1.3194 1.3194 5.1999 5.1999 5.2009 5.2009 5.2009 5.2009 5.2782 5.2782 5.2782 5.2782 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -16.9468 -16.9468 -16.8347 -16.8347 -16.8341 -16.8341 -16.8341 -16.8341 -10.6830 -10.6830 -6.5594 -6.5594 -6.5568 -6.5568 -6.5568 -6.5568 -5.6224 -5.6224 -4.2450 -4.2450 -4.2425 -4.2425 -4.2425 -4.2425 -2.9619 -2.9619 -2.9540 -2.9540 -2.9540 -2.9540 -2.8135 -2.8135 -2.8135 -2.8135 -2.2418 -2.2418 -2.2341 -2.2341 -2.2341 -2.2341 0.5872 0.5872 0.5872 0.5872 1.2034 1.2034 1.2034 1.2034 1.3194 1.3194 5.1999 5.1999 5.2009 5.2009 5.2009 5.2009 5.2782 5.2782 5.2782 5.2782 k = 0.4878 0.5000 0.4878 ( 5722 PWs) bands (ev): -16.9468 -16.9468 -16.8348 -16.8348 -16.8342 -16.8342 -16.8341 -16.8341 -10.6829 -10.6829 -6.5599 -6.5599 -6.5574 -6.5574 -6.5566 -6.5566 -5.6204 -5.6204 -4.2455 -4.2455 -4.2432 -4.2432 -4.2427 -4.2426 -2.9619 -2.9618 -2.9545 -2.9541 -2.9537 -2.9536 -2.8135 -2.8133 -2.8133 -2.8131 -2.2423 -2.2423 -2.2348 -2.2346 -2.2345 -2.2345 0.5869 0.5871 0.5872 0.5873 1.2032 1.2033 1.2034 1.2037 1.3194 1.3194 5.1989 5.1993 5.2002 5.2004 5.2007 5.2014 5.2772 5.2778 5.2779 5.2785 k = 0.4756 0.5000 0.4756 ( 5722 PWs) bands (ev): -16.9467 -16.9467 -16.8350 -16.8349 -16.8343 -16.8343 -16.8340 -16.8340 -10.6825 -10.6825 -6.5630 -6.5629 -6.5577 -6.5575 -6.5562 -6.5561 -5.6145 -5.6145 -4.2474 -4.2472 -4.2449 -4.2448 -4.2429 -4.2427 -2.9621 -2.9620 -2.9550 -2.9543 -2.9525 -2.9524 -2.8131 -2.8127 -2.8126 -2.8121 -2.2436 -2.2436 -2.2363 -2.2360 -2.2356 -2.2354 0.5872 0.5878 0.5881 0.5884 1.2036 1.2040 1.2042 1.2050 1.3201 1.3201 5.1951 5.1964 5.1990 5.1994 5.2012 5.2025 5.2754 5.2767 5.2775 5.2788 k = 0.4634 0.5000 0.4634 ( 5722 PWs) bands (ev): -16.9466 -16.9466 -16.8354 -16.8354 -16.8344 -16.8344 -16.8338 -16.8338 -10.6819 -10.6819 -6.5689 -6.5687 -6.5571 -6.5569 -6.5553 -6.5553 -5.6048 -5.6048 -4.2511 -4.2508 -4.2473 -4.2471 -4.2429 -4.2426 -2.9637 -2.9633 -2.9549 -2.9533 -2.9508 -2.9500 -2.8124 -2.8118 -2.8114 -2.8106 -2.2459 -2.2458 -2.2387 -2.2383 -2.2372 -2.2369 0.5879 0.5888 0.5896 0.5901 1.2044 1.2050 1.2057 1.2069 1.3214 1.3214 5.1891 5.1909 5.1974 5.1978 5.2022 5.2040 5.2725 5.2746 5.2772 5.2791 k = 0.4512 0.5000 0.4512 ( 5722 PWs) bands (ev): -16.9464 -16.9464 -16.8361 -16.8360 -16.8344 -16.8344 -16.8335 -16.8335 -10.6810 -10.6810 -6.5770 -6.5768 -6.5560 -6.5558 -6.5541 -6.5540 -5.5915 -5.5915 -4.2566 -4.2561 -4.2504 -4.2501 -4.2428 -4.2424 -2.9668 -2.9662 -2.9539 -2.9509 -2.9487 -2.9466 -2.8115 -2.8107 -2.8095 -2.8085 -2.2491 -2.2490 -2.2417 -2.2414 -2.2396 -2.2389 0.5888 0.5901 0.5917 0.5924 1.2055 1.2064 1.2078 1.2095 1.3232 1.3232 5.1807 5.1831 5.1951 5.1956 5.2037 5.2061 5.2687 5.2716 5.2770 5.2793 k = 0.4390 0.5000 0.4390 ( 5722 PWs) bands (ev): -16.9461 -16.9461 -16.8370 -16.8369 -16.8345 -16.8344 -16.8331 -16.8331 -10.6799 -10.6799 -6.5871 -6.5868 -6.5548 -6.5545 -6.5526 -6.5524 -5.5750 -5.5750 -4.2637 -4.2631 -4.2542 -4.2538 -4.2425 -4.2421 -2.9712 -2.9704 -2.9523 -2.9478 -2.9455 -2.9420 -2.8106 -2.8096 -2.8068 -2.8057 -2.2536 -2.2534 -2.2451 -2.2450 -2.2425 -2.2415 0.5902 0.5917 0.5943 0.5952 1.2069 1.2080 1.2105 1.2126 1.3254 1.3255 5.1703 5.1731 5.1922 5.1928 5.2053 5.2086 5.2640 5.2679 5.2768 5.2795 k = 0.4268 0.5000 0.4268 ( 5720 PWs) bands (ev): -16.9458 -16.9458 -16.8381 -16.8380 -16.8344 -16.8344 -16.8325 -16.8325 -10.6786 -10.6786 -6.5986 -6.5983 -6.5532 -6.5530 -6.5507 -6.5504 -5.5556 -5.5556 -4.2722 -4.2715 -4.2587 -4.2583 -4.2421 -4.2416 -2.9765 -2.9755 -2.9506 -2.9455 -2.9404 -2.9363 -2.8097 -2.8086 -2.8034 -2.8021 -2.2591 -2.2590 -2.2492 -2.2488 -2.2460 -2.2444 0.5918 0.5936 0.5974 0.5985 1.2086 1.2100 1.2138 1.2163 1.3281 1.3283 5.1579 5.1610 5.1887 5.1894 5.2069 5.2112 5.2587 5.2637 5.2767 5.2796 k = 0.4146 0.5000 0.4146 ( 5724 PWs) bands (ev): -16.9456 -16.9455 -16.8394 -16.8393 -16.8344 -16.8343 -16.8319 -16.8319 -10.6771 -10.6771 -6.6115 -6.6111 -6.5514 -6.5512 -6.5485 -6.5481 -5.5336 -5.5336 -4.2821 -4.2812 -4.2638 -4.2633 -4.2416 -4.2411 -2.9824 -2.9813 -2.9489 -2.9436 -2.9338 -2.9295 -2.8091 -2.8079 -2.7991 -2.7977 -2.2656 -2.2656 -2.2538 -2.2529 -2.2501 -2.2478 0.5937 0.5958 0.6009 0.6023 1.2105 1.2123 1.2175 1.2205 1.3311 1.3316 5.1435 5.1471 5.1847 5.1855 5.2081 5.2136 5.2530 5.2594 5.2766 5.2798 k = 0.4024 0.5000 0.4024 ( 5724 PWs) bands (ev): -16.9453 -16.9452 -16.8408 -16.8407 -16.8344 -16.8342 -16.8312 -16.8312 -10.6754 -10.6754 -6.6252 -6.6248 -6.5494 -6.5492 -6.5459 -6.5455 -5.5095 -5.5095 -4.2933 -4.2923 -4.2695 -4.2689 -4.2410 -4.2405 -2.9889 -2.9877 -2.9476 -2.9423 -2.9260 -2.9216 -2.8088 -2.8074 -2.7938 -2.7923 -2.2732 -2.2731 -2.2590 -2.2574 -2.2545 -2.2515 0.5958 0.5982 0.6046 0.6064 1.2128 1.2149 1.2216 1.2250 1.3346 1.3352 5.1275 5.1313 5.1800 5.1810 5.2080 5.2147 5.2481 5.2558 5.2766 5.2798 k = 0.3902 0.5000 0.3902 ( 5712 PWs) bands (ev): -16.9450 -16.9449 -16.8424 -16.8423 -16.8342 -16.8341 -16.8304 -16.8304 -10.6736 -10.6735 -6.6396 -6.6391 -6.5472 -6.5470 -6.5431 -6.5426 -5.4836 -5.4836 -4.3056 -4.3045 -4.2756 -4.2749 -4.2404 -4.2397 -2.9957 -2.9944 -2.9468 -2.9415 -2.9171 -2.9127 -2.8090 -2.8075 -2.7875 -2.7860 -2.2815 -2.2813 -2.2646 -2.2626 -2.2591 -2.2555 0.5983 0.6010 0.6086 0.6107 1.2153 1.2179 1.2260 1.2299 1.3384 1.3393 5.1099 5.1140 5.1749 5.1760 5.2057 5.2128 5.2454 5.2538 5.2766 5.2798 k = 0.3780 0.5000 0.3780 ( 5716 PWs) bands (ev): -16.9447 -16.9447 -16.8442 -16.8441 -16.8341 -16.8339 -16.8295 -16.8295 -10.6716 -10.6715 -6.6543 -6.6538 -6.5448 -6.5446 -6.5400 -6.5394 -5.4564 -5.4564 -4.3189 -4.3177 -4.2821 -4.2813 -4.2397 -4.2390 -3.0028 -3.0015 -2.9466 -2.9415 -2.9073 -2.9028 -2.8096 -2.8081 -2.7802 -2.7786 -2.2904 -2.2901 -2.2707 -2.2684 -2.2637 -2.2597 0.6010 0.6039 0.6128 0.6152 1.2180 1.2210 1.2307 1.2350 1.3424 1.3437 5.0909 5.0954 5.1692 5.1705 5.2005 5.2070 5.2461 5.2539 5.2766 5.2797 k = 0.3659 0.5000 0.3659 ( 5714 PWs) bands (ev): -16.9445 -16.9445 -16.8460 -16.8459 -16.8338 -16.8337 -16.8285 -16.8285 -10.6695 -10.6694 -6.6690 -6.6686 -6.5422 -6.5420 -6.5367 -6.5360 -5.4281 -5.4281 -4.3331 -4.3318 -4.2888 -4.2879 -4.2389 -4.2381 -3.0101 -3.0087 -2.9471 -2.9422 -2.8965 -2.8920 -2.8109 -2.8093 -2.7718 -2.7701 -2.2997 -2.2994 -2.2772 -2.2748 -2.2683 -2.2641 0.6039 0.6070 0.6170 0.6198 1.2209 1.2244 1.2355 1.2403 1.3466 1.3483 5.0708 5.0756 5.1630 5.1645 5.1926 5.1979 5.2495 5.2562 5.2766 5.2795 k = 0.3537 0.5000 0.3537 ( 5722 PWs) bands (ev): -16.9444 -16.9443 -16.8480 -16.8479 -16.8335 -16.8333 -16.8275 -16.8275 -10.6673 -10.6672 -6.6837 -6.6832 -6.5394 -6.5392 -6.5331 -6.5324 -5.3991 -5.3991 -4.3481 -4.3467 -4.2957 -4.2946 -4.2380 -4.2372 -3.0175 -3.0160 -2.9484 -2.9437 -2.8849 -2.8804 -2.8129 -2.8111 -2.7624 -2.7607 -2.3095 -2.3091 -2.2842 -2.2819 -2.2729 -2.2686 0.6070 0.6103 0.6211 0.6245 1.2240 1.2280 1.2403 1.2456 1.3509 1.3531 5.0497 5.0548 5.1562 5.1582 5.1823 5.1866 5.2542 5.2601 5.2766 5.2793 k = 0.3415 0.5000 0.3415 ( 5720 PWs) bands (ev): -16.9444 -16.9443 -16.8500 -16.8500 -16.8331 -16.8329 -16.8264 -16.8264 -10.6650 -10.6650 -6.6980 -6.6975 -6.5365 -6.5363 -6.5295 -6.5287 -5.3699 -5.3699 -4.3637 -4.3621 -4.3026 -4.3014 -4.2371 -4.2363 -3.0249 -3.0234 -2.9505 -2.9460 -2.8726 -2.8682 -2.8156 -2.8137 -2.7521 -2.7503 -2.3194 -2.3189 -2.2917 -2.2895 -2.2774 -2.2731 0.6102 0.6137 0.6253 0.6291 1.2272 1.2317 1.2452 1.2509 1.3552 1.3580 5.0279 5.0334 5.1488 5.1514 5.1702 5.1740 5.2596 5.2648 5.2768 5.2790 k = 0.3293 0.5000 0.3293 ( 5712 PWs) bands (ev): -16.9445 -16.9444 -16.8522 -16.8521 -16.8325 -16.8323 -16.8253 -16.8253 -10.6627 -10.6627 -6.7118 -6.7113 -6.5334 -6.5332 -6.5256 -6.5248 -5.3407 -5.3406 -4.3796 -4.3779 -4.3093 -4.3080 -4.2361 -4.2352 -3.0322 -3.0308 -2.9533 -2.9491 -2.8597 -2.8553 -2.8190 -2.8170 -2.7408 -2.7390 -2.3294 -2.3289 -2.2996 -2.2976 -2.2817 -2.2774 0.6135 0.6173 0.6295 0.6336 1.2306 1.2356 1.2499 1.2562 1.3595 1.3629 5.0056 5.0115 5.1404 5.1440 5.1570 5.1608 5.2643 5.2694 5.2778 5.2794 k = 0.3171 0.5000 0.3171 ( 5708 PWs) bands (ev): -16.9447 -16.9446 -16.8544 -16.8543 -16.8318 -16.8316 -16.8241 -16.8241 -10.6604 -10.6603 -6.7249 -6.7244 -6.5302 -6.5300 -6.5217 -6.5208 -5.3119 -5.3118 -4.3958 -4.3939 -4.3159 -4.3143 -4.2351 -4.2342 -3.0395 -3.0381 -2.9569 -2.9530 -2.8464 -2.8421 -2.8230 -2.8208 -2.7288 -2.7269 -2.3394 -2.3387 -2.3079 -2.3061 -2.2858 -2.2817 0.6169 0.6209 0.6335 0.6381 1.2341 1.2397 1.2545 1.2612 1.3637 1.3678 4.9830 4.9893 5.1302 5.1351 5.1438 5.1481 5.2669 5.2714 5.2810 5.2824 k = 0.3049 0.5000 0.3049 ( 5708 PWs) bands (ev): -16.9451 -16.9449 -16.8566 -16.8565 -16.8310 -16.8308 -16.8229 -16.8229 -10.6581 -10.6580 -6.7373 -6.7368 -6.5268 -6.5266 -6.5178 -6.5168 -5.2839 -5.2837 -4.4120 -4.4099 -4.3221 -4.3203 -4.2339 -4.2330 -3.0467 -3.0452 -2.9612 -2.9576 -2.8334 -2.8301 -2.8271 -2.8238 -2.7162 -2.7140 -2.3493 -2.3484 -2.3166 -2.3151 -2.2897 -2.2857 0.6202 0.6245 0.6375 0.6423 1.2376 1.2438 1.2588 1.2660 1.3675 1.3724 4.9605 4.9671 5.1171 5.1221 5.1334 5.1371 5.2669 5.2705 5.2866 5.2882 k = 0.2927 0.5000 0.2927 ( 5704 PWs) bands (ev): -16.9456 -16.9454 -16.8588 -16.8588 -16.8301 -16.8298 -16.8216 -16.8216 -10.6559 -10.6557 -6.7488 -6.7483 -6.5234 -6.5232 -6.5138 -6.5128 -5.2569 -5.2567 -4.4279 -4.4257 -4.3277 -4.3258 -4.2328 -4.2318 -3.0537 -3.0522 -2.9662 -2.9629 -2.8340 -2.8320 -2.8179 -2.8132 -2.7030 -2.7007 -2.3588 -2.3578 -2.3257 -2.3244 -2.2933 -2.2894 0.6234 0.6280 0.6414 0.6464 1.2411 1.2480 1.2629 1.2706 1.3712 1.3769 4.9381 4.9451 5.1014 5.1058 5.1251 5.1277 5.2650 5.2680 5.2936 5.2952 k = 0.2805 0.5000 0.2805 ( 5708 PWs) bands (ev): -16.9462 -16.9460 -16.8611 -16.8610 -16.8290 -16.8287 -16.8203 -16.8203 -10.6537 -10.6535 -6.7593 -6.7588 -6.5199 -6.5197 -6.5099 -6.5088 -5.2315 -5.2312 -4.4434 -4.4411 -4.3328 -4.3306 -4.2316 -4.2306 -3.0605 -3.0590 -2.9719 -2.9689 -2.8399 -2.8378 -2.8039 -2.7991 -2.6893 -2.6869 -2.3679 -2.3668 -2.3352 -2.3342 -2.2966 -2.2928 0.6264 0.6314 0.6452 0.6504 1.2446 1.2521 1.2667 1.2747 1.3744 1.3810 4.9162 4.9236 5.0841 5.0882 5.1174 5.1192 5.2620 5.2645 5.3010 5.3026 k = 0.2683 0.5000 0.2683 ( 5700 PWs) bands (ev): -16.9470 -16.9468 -16.8633 -16.8633 -16.8278 -16.8275 -16.8190 -16.8190 -10.6515 -10.6514 -6.7688 -6.7684 -6.5164 -6.5162 -6.5060 -6.5049 -5.2079 -5.2075 -4.4583 -4.4557 -4.3370 -4.3346 -4.2303 -4.2294 -3.0672 -3.0657 -2.9782 -2.9754 -2.8465 -2.8443 -2.7897 -2.7849 -2.6754 -2.6728 -2.3765 -2.3751 -2.3449 -2.3442 -2.2996 -2.2960 0.6291 0.6347 0.6491 0.6543 1.2481 1.2563 1.2700 1.2784 1.3773 1.3847 4.8949 4.9026 5.0656 5.0697 5.1099 5.1112 5.2578 5.2598 5.3088 5.3103 k = 0.2561 0.5000 0.2561 ( 5696 PWs) bands (ev): -16.9479 -16.9477 -16.8656 -16.8655 -16.8265 -16.8262 -16.8177 -16.8177 -10.6494 -10.6493 -6.7773 -6.7768 -6.5129 -6.5126 -6.5021 -6.5010 -5.1864 -5.1860 -4.4722 -4.4694 -4.3403 -4.3377 -4.2291 -4.2281 -3.0736 -3.0721 -2.9850 -2.9826 -2.8536 -2.8513 -2.7757 -2.7706 -2.6614 -2.6587 -2.3842 -2.3827 -2.3549 -2.3545 -2.3023 -2.2987 0.6315 0.6376 0.6529 0.6581 1.2514 1.2604 1.2730 1.2815 1.3798 1.3881 4.8744 4.8825 5.0465 5.0507 5.1025 5.1035 5.2524 5.2541 5.3166 5.3181 k = 0.2439 0.5000 0.2439 ( 5700 PWs) bands (ev): -16.9490 -16.9488 -16.8678 -16.8677 -16.8251 -16.8247 -16.8163 -16.8163 -10.6475 -10.6473 -6.7847 -6.7842 -6.5093 -6.5091 -6.4984 -6.4973 -5.1675 -5.1670 -4.4850 -4.4820 -4.3425 -4.3396 -4.2278 -4.2268 -3.0797 -3.0782 -2.9924 -2.9902 -2.8611 -2.8587 -2.7618 -2.7564 -2.6475 -2.6448 -2.3910 -2.3893 -2.3650 -2.3650 -2.3046 -2.3012 0.6335 0.6401 0.6569 0.6618 1.2545 1.2644 1.2756 1.2841 1.3819 1.3910 4.8550 4.8634 5.0269 5.0312 5.0951 5.0959 5.2458 5.2471 5.3244 5.3258 k = 0.2317 0.5000 0.2317 ( 5696 PWs) bands (ev): -16.9502 -16.9499 -16.8699 -16.8699 -16.8236 -16.8232 -16.8150 -16.8150 -10.6457 -10.6455 -6.7910 -6.7906 -6.5057 -6.5055 -6.4948 -6.4936 -5.1514 -5.1507 -4.4966 -4.4934 -4.3434 -4.3403 -4.2265 -4.2255 -3.0857 -3.0842 -3.0002 -2.9983 -2.8687 -2.8663 -2.7482 -2.7425 -2.6339 -2.6313 -2.3966 -2.3948 -2.3757 -2.3753 -2.3066 -2.3033 0.6350 0.6422 0.6609 0.6655 1.2575 1.2682 1.2778 1.2861 1.3837 1.3935 4.8368 4.8455 5.0070 5.0114 5.0879 5.0886 5.2379 5.2389 5.3322 5.3335 k = 0.2195 0.5000 0.2195 ( 5696 PWs) bands (ev): -16.9515 -16.9512 -16.8720 -16.8720 -16.8219 -16.8216 -16.8137 -16.8137 -10.6439 -10.6437 -6.7962 -6.7958 -6.5022 -6.5020 -6.4914 -6.4902 -5.1382 -5.1375 -4.5067 -4.5033 -4.3429 -4.3397 -4.2251 -4.2242 -3.0914 -3.0899 -3.0085 -3.0068 -2.8765 -2.8740 -2.7351 -2.7290 -2.6208 -2.6185 -2.4007 -2.3992 -2.3865 -2.3855 -2.3082 -2.3051 0.6360 0.6438 0.6649 0.6692 1.2600 1.2718 1.2797 1.2874 1.3853 1.3956 4.8199 4.8289 4.9870 4.9915 5.0809 5.0814 5.2286 5.2293 5.3398 5.3411 k = 0.2073 0.5000 0.2073 ( 5692 PWs) bands (ev): -16.9529 -16.9526 -16.8740 -16.8740 -16.8202 -16.8199 -16.8124 -16.8124 -10.6423 -10.6421 -6.8005 -6.8001 -6.4987 -6.4985 -6.4881 -6.4869 -5.1281 -5.1273 -4.5155 -4.5119 -4.3409 -4.3375 -4.2238 -4.2228 -3.0969 -3.0954 -3.0171 -3.0156 -2.8843 -2.8818 -2.7226 -2.7159 -2.6085 -2.6067 -2.4032 -2.4031 -2.3973 -2.3947 -2.3096 -2.3067 0.6366 0.6449 0.6690 0.6730 1.2621 1.2750 1.2814 1.2882 1.3866 1.3974 4.8045 4.8137 4.9671 4.9717 5.0740 5.0745 5.2180 5.2185 5.3473 5.3485 k = 0.1951 0.5000 0.1951 ( 5690 PWs) bands (ev): -16.9544 -16.9541 -16.8760 -16.8760 -16.8185 -16.8181 -16.8111 -16.8111 -10.6409 -10.6407 -6.8037 -6.8033 -6.4954 -6.4951 -6.4851 -6.4839 -5.1212 -5.1203 -4.5228 -4.5191 -4.3374 -4.3338 -4.2225 -4.2215 -3.1022 -3.1007 -3.0260 -3.0248 -2.8920 -2.8894 -2.7108 -2.7035 -2.5972 -2.5961 -2.4097 -2.4082 -2.4038 -2.3994 -2.3107 -2.3079 0.6368 0.6454 0.6731 0.6767 1.2635 1.2776 1.2830 1.2886 1.3879 1.3988 4.7907 4.8001 4.9474 4.9521 5.0674 5.0678 5.2060 5.2063 5.3545 5.3557 k = 0.1829 0.5000 0.1829 ( 5690 PWs) bands (ev): -16.9560 -16.9556 -16.8778 -16.8778 -16.8167 -16.8164 -16.8099 -16.8098 -10.6396 -10.6393 -6.8060 -6.8056 -6.4921 -6.4918 -6.4823 -6.4811 -5.1172 -5.1162 -4.5288 -4.5251 -4.3322 -4.3286 -4.2212 -4.2203 -3.1073 -3.1058 -3.0351 -3.0341 -2.8994 -2.8969 -2.6998 -2.6919 -2.5870 -2.5869 -2.4193 -2.4189 -2.4024 -2.3992 -2.3116 -2.3090 0.6365 0.6454 0.6771 0.6804 1.2641 1.2790 1.2847 1.2893 1.3890 1.4000 4.7786 4.7881 4.9281 4.9328 5.0609 5.0614 5.1926 5.1929 5.3614 5.3625 k = 0.1707 0.5000 0.1707 ( 5680 PWs) bands (ev): -16.9575 -16.9572 -16.8796 -16.8796 -16.8150 -16.8146 -16.8086 -16.8086 -10.6384 -10.6381 -6.8074 -6.8071 -6.4889 -6.4886 -6.4796 -6.4785 -5.1160 -5.1150 -4.5337 -4.5299 -4.3254 -4.3218 -4.2199 -4.2190 -3.1122 -3.1107 -3.0444 -3.0436 -2.9066 -2.9040 -2.6898 -2.6812 -2.5790 -2.5780 -2.4295 -2.4295 -2.3990 -2.3964 -2.3122 -2.3098 0.6359 0.6449 0.6811 0.6840 1.2638 1.2788 1.2865 1.2907 1.3902 1.4011 4.7683 4.7778 4.9093 4.9140 5.0548 5.0552 5.1780 5.1783 5.3680 5.3691 k = 0.1585 0.5000 0.1585 ( 5690 PWs) bands (ev): -16.9591 -16.9588 -16.8813 -16.8813 -16.8132 -16.8129 -16.8075 -16.8075 -10.6373 -10.6371 -6.8081 -6.8077 -6.4858 -6.4856 -6.4773 -6.4761 -5.1172 -5.1162 -4.5375 -4.5339 -4.3173 -4.3137 -4.2186 -4.2178 -3.1169 -3.1155 -3.0537 -3.0532 -2.9133 -2.9107 -2.6810 -2.6717 -2.5722 -2.5700 -2.4399 -2.4396 -2.3938 -2.3918 -2.3127 -2.3104 0.6349 0.6439 0.6848 0.6875 1.2627 1.2769 1.2885 1.2926 1.3914 1.4019 4.7597 4.7692 4.8912 4.8958 5.0489 5.0494 5.1623 5.1627 5.3742 5.3753 k = 0.1463 0.5000 0.1463 ( 5690 PWs) bands (ev): -16.9606 -16.9603 -16.8829 -16.8829 -16.8115 -16.8111 -16.8064 -16.8064 -10.6364 -10.6362 -6.8080 -6.8077 -6.4829 -6.4827 -6.4751 -6.4740 -5.1205 -5.1195 -4.5406 -4.5370 -4.3079 -4.3044 -4.2174 -4.2166 -3.1214 -3.1200 -3.0631 -3.0628 -2.9195 -2.9170 -2.6733 -2.6636 -2.5663 -2.5630 -2.4501 -2.4496 -2.3870 -2.3856 -2.3130 -2.3109 0.6336 0.6426 0.6885 0.6909 1.2609 1.2740 1.2906 1.2949 1.3926 1.4026 4.7529 4.7623 4.8739 4.8784 5.0433 5.0438 5.1458 5.1463 5.3801 5.3811 k = 0.1341 0.5000 0.1341 ( 5682 PWs) bands (ev): -16.9621 -16.9619 -16.8844 -16.8844 -16.8098 -16.8095 -16.8054 -16.8054 -10.6356 -10.6354 -6.8073 -6.8070 -6.4802 -6.4800 -6.4732 -6.4721 -5.1254 -5.1244 -4.5430 -4.5396 -4.2975 -4.2941 -4.2163 -4.2155 -3.1257 -3.1244 -3.0724 -3.0722 -2.9251 -2.9227 -2.6669 -2.6569 -2.5610 -2.5566 -2.4598 -2.4592 -2.3791 -2.3781 -2.3131 -2.3112 0.6322 0.6409 0.6920 0.6942 1.2586 1.2705 1.2927 1.2971 1.3939 1.4033 4.7479 4.7571 4.8576 4.8618 5.0379 5.0386 5.1285 5.1293 5.3855 5.3865 k = 0.1220 0.5000 0.1220 ( 5682 PWs) bands (ev): -16.9636 -16.9633 -16.8857 -16.8857 -16.8082 -16.8079 -16.8044 -16.8044 -10.6349 -10.6347 -6.8062 -6.8059 -6.4777 -6.4774 -6.4715 -6.4705 -5.1316 -5.1306 -4.5449 -4.5417 -4.2865 -4.2833 -4.2152 -4.2145 -3.1298 -3.1286 -3.0815 -3.0815 -2.9301 -2.9278 -2.6617 -2.6517 -2.5558 -2.5508 -2.4690 -2.4683 -2.3704 -2.3699 -2.3132 -2.3114 0.6305 0.6389 0.6952 0.6972 1.2559 1.2666 1.2948 1.2992 1.3952 1.4039 4.7446 4.7536 4.8422 4.8463 5.0328 5.0337 5.1109 5.1120 5.3906 5.3915 k = 0.1098 0.5000 0.1098 ( 5690 PWs) bands (ev): -16.9650 -16.9647 -16.8870 -16.8870 -16.8067 -16.8064 -16.8035 -16.8035 -10.6343 -10.6341 -6.8047 -6.8044 -6.4754 -6.4751 -6.4700 -6.4691 -5.1385 -5.1376 -4.5464 -4.5435 -4.2751 -4.2721 -4.2142 -4.2135 -3.1336 -3.1325 -3.0904 -3.0903 -2.9345 -2.9324 -2.6577 -2.6480 -2.5507 -2.5454 -2.4777 -2.4770 -2.3615 -2.3613 -2.3131 -2.3116 0.6287 0.6367 0.6983 0.7000 1.2529 1.2623 1.2968 1.3011 1.3965 1.4044 4.7430 4.7516 4.8281 4.8319 5.0279 5.0290 5.0931 5.0946 5.3952 5.3960 k = 0.0976 0.5000 0.0976 ( 5706 PWs) bands (ev): -16.9662 -16.9660 -16.8881 -16.8881 -16.8053 -16.8050 -16.8027 -16.8027 -10.6338 -10.6336 -6.8029 -6.8027 -6.4732 -6.4730 -6.4687 -6.4679 -5.1458 -5.1449 -4.5476 -4.5450 -4.2638 -4.2610 -4.2132 -4.2126 -3.1372 -3.1362 -3.0988 -3.0987 -2.9384 -2.9363 -2.6547 -2.6456 -2.5457 -2.5403 -2.4858 -2.4850 -2.3527 -2.3526 -2.3130 -2.3117 0.6269 0.6343 0.7010 0.7025 1.2498 1.2581 1.2986 1.3028 1.3978 1.4047 4.7428 4.7510 4.8151 4.8187 5.0231 5.0245 5.0757 5.0777 5.3993 5.4001 k = 0.0854 0.5000 0.0854 ( 5690 PWs) bands (ev): -16.9674 -16.9672 -16.8891 -16.8891 -16.8040 -16.8038 -16.8020 -16.8019 -10.6334 -10.6332 -6.8010 -6.8008 -6.4714 -6.4711 -6.4676 -6.4669 -5.1531 -5.1523 -4.5486 -4.5463 -4.2528 -4.2503 -4.2124 -4.2118 -3.1405 -3.1396 -3.1067 -3.1064 -2.9415 -2.9397 -2.6525 -2.6442 -2.5406 -2.5355 -2.4931 -2.4924 -2.3444 -2.3441 -2.3128 -2.3117 0.6252 0.6319 0.7036 0.7049 1.2469 1.2540 1.3004 1.3042 1.3990 1.4051 4.7440 4.7517 4.8035 4.8069 5.0182 5.0200 5.0592 5.0618 5.4030 5.4037 k = 0.0732 0.5000 0.0732 ( 5674 PWs) bands (ev): -16.9684 -16.9682 -16.8900 -16.8900 -16.8029 -16.8027 -16.8013 -16.8013 -10.6330 -10.6329 -6.7990 -6.7988 -6.4697 -6.4694 -6.4666 -6.4661 -5.1600 -5.1594 -4.5494 -4.5474 -4.2424 -4.2402 -4.2116 -4.2111 -3.1435 -3.1427 -3.1138 -3.1135 -2.9442 -2.9425 -2.6510 -2.6437 -2.5358 -2.5312 -2.4997 -2.4989 -2.3367 -2.3363 -2.3126 -2.3116 0.6236 0.6296 0.7058 0.7069 1.2442 1.2502 1.3020 1.3055 1.4002 1.4054 4.7463 4.7534 4.7934 4.7965 5.0127 5.0149 5.0445 5.0476 5.4062 5.4068 k = 0.0610 0.5000 0.0610 ( 5682 PWs) bands (ev): -16.9693 -16.9692 -16.8907 -16.8907 -16.8019 -16.8017 -16.8007 -16.8007 -10.6328 -10.6327 -6.7972 -6.7970 -6.4684 -6.4681 -6.4658 -6.4654 -5.1664 -5.1659 -4.5500 -4.5483 -4.2331 -4.2312 -4.2109 -4.2105 -3.1460 -3.1454 -3.1201 -3.1198 -2.9462 -2.9448 -2.6500 -2.6438 -2.5314 -2.5274 -2.5053 -2.5046 -2.3298 -2.3294 -2.3123 -2.3116 0.6222 0.6273 0.7077 0.7086 1.2417 1.2466 1.3034 1.3064 1.4012 1.4056 4.7494 4.7558 4.7848 4.7875 5.0060 5.0083 5.0331 5.0363 5.4090 5.4095 k = 0.0488 0.5000 0.0488 ( 5682 PWs) bands (ev): -16.9701 -16.9699 -16.8913 -16.8913 -16.8011 -16.8009 -16.8003 -16.8003 -10.6326 -10.6325 -6.7955 -6.7954 -6.4673 -6.4670 -6.4651 -6.4649 -5.1720 -5.1715 -4.5504 -4.5491 -4.2250 -4.2235 -4.2104 -4.2100 -3.1482 -3.1476 -3.1254 -3.1252 -2.9479 -2.9467 -2.6492 -2.6442 -2.5275 -2.5243 -2.5100 -2.5093 -2.3240 -2.3237 -2.3119 -2.3114 0.6210 0.6252 0.7093 0.7100 1.2396 1.2435 1.3047 1.3072 1.4022 1.4057 4.7530 4.7585 4.7777 4.7802 4.9980 4.9997 5.0257 5.0284 5.4112 5.4116 k = 0.0366 0.5000 0.0366 ( 5690 PWs) bands (ev): -16.9706 -16.9706 -16.8918 -16.8918 -16.8005 -16.8003 -16.7999 -16.7999 -10.6324 -10.6323 -6.7941 -6.7940 -6.4665 -6.4662 -6.4646 -6.4644 -5.1765 -5.1761 -4.5507 -4.5497 -4.2185 -4.2173 -4.2099 -4.2096 -3.1499 -3.1495 -3.1297 -3.1295 -2.9490 -2.9481 -2.6487 -2.6449 -2.5244 -2.5221 -2.5136 -2.5129 -2.3195 -2.3194 -2.3113 -2.3111 0.6202 0.6233 0.7106 0.7111 1.2381 1.2409 1.3057 1.3076 1.4031 1.4057 4.7564 4.7610 4.7725 4.7745 4.9897 4.9908 5.0215 5.0234 5.4130 5.4133 k = 0.0244 0.5000 0.0244 ( 5698 PWs) bands (ev): -16.9711 -16.9710 -16.8922 -16.8922 -16.8000 -16.8000 -16.7996 -16.7996 -10.6323 -10.6322 -6.7930 -6.7930 -6.4659 -6.4657 -6.4641 -6.4641 -5.1798 -5.1795 -4.5509 -4.5503 -4.2136 -4.2128 -4.2095 -4.2093 -3.1511 -3.1508 -3.1328 -3.1327 -2.9498 -2.9492 -2.6481 -2.6456 -2.5222 -2.5209 -2.5159 -2.5151 -2.3166 -2.3166 -2.3105 -2.3105 0.6197 0.6218 0.7115 0.7118 1.2370 1.2389 1.3066 1.3079 1.4038 1.4055 4.7593 4.7625 4.7693 4.7708 4.9827 4.9832 5.0192 5.0204 5.4143 5.4145 k = 0.0122 0.5000 0.0122 ( 5702 PWs) bands (ev): -16.9713 -16.9713 -16.8924 -16.8924 -16.7998 -16.7997 -16.7994 -16.7994 -10.6322 -10.6322 -6.7924 -6.7923 -6.4656 -6.4655 -6.4638 -6.4638 -5.1818 -5.1817 -4.5510 -4.5506 -4.2108 -4.2104 -4.2090 -4.2090 -3.1518 -3.1517 -3.1347 -3.1346 -2.9502 -2.9499 -2.6476 -2.6463 -2.5213 -2.5208 -2.5167 -2.5161 -2.3153 -2.3151 -2.3098 -2.3097 0.6196 0.6206 0.7121 0.7122 1.2365 1.2375 1.3072 1.3078 1.4044 1.4053 4.7609 4.7623 4.7684 4.7690 4.9780 4.9782 5.0181 5.0187 5.4150 5.4151 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -16.9714 -16.9714 -16.8924 -16.8924 -16.7997 -16.7997 -16.7993 -16.7993 -10.6322 -10.6322 -6.7921 -6.7921 -6.4654 -6.4654 -6.4637 -6.4637 -5.1824 -5.1824 -4.5509 -4.5509 -4.2099 -4.2099 -4.2086 -4.2086 -3.1520 -3.1520 -3.1353 -3.1353 -2.9502 -2.9502 -2.6470 -2.6470 -2.5210 -2.5210 -2.5165 -2.5165 -2.3148 -2.3148 -2.3094 -2.3094 0.6199 0.6199 0.7123 0.7123 1.2367 1.2367 1.3076 1.3076 1.4049 1.4049 4.7617 4.7617 4.7685 4.7685 4.9764 4.9764 5.0180 5.0180 5.4153 5.4153 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -16.9334 -16.9334 -16.8539 -16.8539 -16.8360 -16.8360 -16.8356 -16.8356 -10.6388 -10.6388 -6.8694 -6.8694 -6.4897 -6.4897 -6.4883 -6.4883 -4.9245 -4.9245 -4.5133 -4.5133 -4.3902 -4.3902 -4.3876 -4.3876 -3.1473 -3.1473 -2.8138 -2.8138 -2.7726 -2.7726 -2.7712 -2.7712 -2.6344 -2.6344 -2.4888 -2.4888 -2.3924 -2.3924 -2.3899 -2.3899 0.6330 0.6330 0.7084 0.7084 1.2171 1.2171 1.3447 1.3447 1.4387 1.4387 5.0046 5.0046 5.0462 5.0462 5.0849 5.0849 5.0899 5.0899 5.3794 5.3794 k = 0.5000 0.5000 0.0172 ( 5696 PWs) bands (ev): -16.9335 -16.9335 -16.8538 -16.8538 -16.8360 -16.8360 -16.8356 -16.8356 -10.6390 -10.6390 -6.8686 -6.8686 -6.4899 -6.4899 -6.4885 -6.4885 -4.9278 -4.9278 -4.5110 -4.5110 -4.3898 -4.3898 -4.3872 -4.3872 -3.1468 -3.1468 -2.8138 -2.8138 -2.7734 -2.7734 -2.7718 -2.7718 -2.6358 -2.6358 -2.4872 -2.4872 -2.3917 -2.3917 -2.3892 -2.3892 0.6329 0.6329 0.7081 0.7081 1.2171 1.2171 1.3443 1.3443 1.4384 1.4384 5.0051 5.0051 5.0468 5.0468 5.0853 5.0853 5.0903 5.0903 5.3790 5.3790 k = 0.5000 0.5000 0.0345 ( 5696 PWs) bands (ev): -16.9336 -16.9336 -16.8536 -16.8536 -16.8359 -16.8359 -16.8356 -16.8356 -10.6394 -10.6394 -6.8666 -6.8666 -6.4905 -6.4905 -6.4892 -6.4892 -4.9373 -4.9373 -4.5046 -4.5046 -4.3886 -4.3886 -4.3860 -4.3860 -3.1454 -3.1454 -2.8137 -2.8137 -2.7755 -2.7755 -2.7737 -2.7737 -2.6397 -2.6397 -2.4827 -2.4827 -2.3899 -2.3899 -2.3873 -2.3873 0.6324 0.6324 0.7070 0.7070 1.2172 1.2172 1.3431 1.3431 1.4372 1.4372 5.0068 5.0068 5.0486 5.0486 5.0864 5.0864 5.0914 5.0914 5.3780 5.3780 k = 0.5000 0.5000 0.0517 ( 5712 PWs) bands (ev): -16.9339 -16.9339 -16.8533 -16.8533 -16.8359 -16.8359 -16.8355 -16.8355 -10.6400 -10.6400 -6.8631 -6.8631 -6.4916 -6.4916 -6.4902 -6.4902 -4.9524 -4.9524 -4.4945 -4.4945 -4.3865 -4.3865 -4.3839 -4.3839 -3.1430 -3.1430 -2.8136 -2.8136 -2.7790 -2.7790 -2.7769 -2.7769 -2.6458 -2.6458 -2.4757 -2.4757 -2.3869 -2.3869 -2.3842 -2.3842 0.6317 0.6317 0.7053 0.7053 1.2171 1.2171 1.3409 1.3409 1.4351 1.4351 5.0095 5.0095 5.0515 5.0515 5.0882 5.0882 5.0931 5.0931 5.3763 5.3763 k = 0.5000 0.5000 0.0690 ( 5716 PWs) bands (ev): -16.9342 -16.9342 -16.8528 -16.8528 -16.8359 -16.8359 -16.8355 -16.8355 -10.6409 -10.6409 -6.8583 -6.8583 -6.4930 -6.4930 -6.4916 -6.4916 -4.9723 -4.9723 -4.4816 -4.4816 -4.3836 -4.3836 -4.3811 -4.3811 -3.1398 -3.1398 -2.8134 -2.8134 -2.7838 -2.7838 -2.7812 -2.7812 -2.6534 -2.6534 -2.4666 -2.4666 -2.3827 -2.3827 -2.3800 -2.3800 0.6307 0.6307 0.7029 0.7029 1.2171 1.2171 1.3380 1.3380 1.4323 1.4323 5.0133 5.0133 5.0557 5.0557 5.0906 5.0906 5.0955 5.0955 5.3740 5.3740 k = 0.5000 0.5000 0.0862 ( 5720 PWs) bands (ev): -16.9346 -16.9346 -16.8523 -16.8523 -16.8359 -16.8359 -16.8355 -16.8355 -10.6421 -10.6421 -6.8521 -6.8521 -6.4948 -6.4948 -6.4934 -6.4934 -4.9961 -4.9961 -4.4668 -4.4668 -4.3800 -4.3800 -4.3775 -4.3775 -3.1356 -3.1356 -2.8134 -2.8134 -2.7896 -2.7896 -2.7865 -2.7865 -2.6621 -2.6621 -2.4562 -2.4562 -2.3776 -2.3776 -2.3748 -2.3748 0.6295 0.6295 0.6999 0.6999 1.2171 1.2171 1.3343 1.3343 1.4288 1.4288 5.0181 5.0181 5.0609 5.0609 5.0937 5.0937 5.0986 5.0986 5.3711 5.3711 k = 0.5000 0.5000 0.1034 ( 5708 PWs) bands (ev): -16.9351 -16.9351 -16.8516 -16.8516 -16.8358 -16.8358 -16.8354 -16.8354 -10.6434 -10.6434 -6.8446 -6.8446 -6.4970 -6.4970 -6.4956 -6.4956 -5.0229 -5.0229 -4.4508 -4.4508 -4.3756 -4.3756 -4.3732 -4.3732 -3.1305 -3.1305 -2.8136 -2.8136 -2.7963 -2.7963 -2.7925 -2.7925 -2.6715 -2.6715 -2.4447 -2.4447 -2.3717 -2.3717 -2.3688 -2.3688 0.6281 0.6281 0.6964 0.6964 1.2171 1.2171 1.3299 1.3299 1.4247 1.4247 5.0238 5.0238 5.0673 5.0673 5.0975 5.0975 5.1023 5.1023 5.3676 5.3676 k = 0.5000 0.5000 0.1207 ( 5704 PWs) bands (ev): -16.9357 -16.9357 -16.8508 -16.8508 -16.8358 -16.8358 -16.8354 -16.8354 -10.6450 -10.6450 -6.8359 -6.8359 -6.4995 -6.4995 -6.4981 -6.4981 -5.0522 -5.0522 -4.4341 -4.4341 -4.3706 -4.3706 -4.3682 -4.3682 -3.1246 -3.1246 -2.8147 -2.8147 -2.8036 -2.8036 -2.7986 -2.7986 -2.6813 -2.6813 -2.4324 -2.4324 -2.3650 -2.3650 -2.3620 -2.3620 0.6265 0.6265 0.6922 0.6922 1.2171 1.2171 1.3248 1.3248 1.4200 1.4200 5.0304 5.0304 5.0746 5.0746 5.1018 5.1018 5.1065 5.1065 5.3636 5.3636 k = 0.5000 0.5000 0.1379 ( 5708 PWs) bands (ev): -16.9363 -16.9363 -16.8500 -16.8500 -16.8357 -16.8357 -16.8353 -16.8353 -10.6467 -10.6467 -6.8260 -6.8260 -6.5023 -6.5023 -6.5009 -6.5009 -5.0834 -5.0834 -4.4173 -4.4173 -4.3649 -4.3649 -4.3626 -4.3626 -3.1180 -3.1180 -2.8181 -2.8181 -2.8115 -2.8115 -2.8033 -2.8033 -2.6912 -2.6912 -2.4197 -2.4197 -2.3577 -2.3577 -2.3547 -2.3547 0.6246 0.6246 0.6876 0.6876 1.2170 1.2170 1.3191 1.3191 1.4147 1.4147 5.0379 5.0379 5.0827 5.0827 5.1066 5.1066 5.1113 5.1113 5.3593 5.3593 k = 0.5000 0.5000 0.1552 ( 5708 PWs) bands (ev): -16.9369 -16.9369 -16.8491 -16.8491 -16.8357 -16.8357 -16.8353 -16.8353 -10.6487 -10.6487 -6.8149 -6.8149 -6.5053 -6.5053 -6.5039 -6.5039 -5.1159 -5.1159 -4.4007 -4.4007 -4.3587 -4.3587 -4.3565 -4.3565 -3.1106 -3.1106 -2.8246 -2.8246 -2.8198 -2.8198 -2.8055 -2.8055 -2.7012 -2.7012 -2.4068 -2.4068 -2.3500 -2.3500 -2.3469 -2.3469 0.6225 0.6225 0.6824 0.6824 1.2169 1.2169 1.3129 1.3129 1.4089 1.4089 5.0461 5.0461 5.0917 5.0917 5.1118 5.1118 5.1166 5.1166 5.3545 5.3545 k = 0.5000 0.5000 0.1724 ( 5708 PWs) bands (ev): -16.9376 -16.9376 -16.8481 -16.8481 -16.8356 -16.8356 -16.8352 -16.8352 -10.6507 -10.6507 -6.8027 -6.8027 -6.5086 -6.5086 -6.5071 -6.5071 -5.1495 -5.1495 -4.3846 -4.3846 -4.3520 -4.3520 -4.3499 -4.3499 -3.1025 -3.1025 -2.8330 -2.8330 -2.8287 -2.8287 -2.8061 -2.8061 -2.7110 -2.7110 -2.3937 -2.3937 -2.3420 -2.3420 -2.3388 -2.3388 0.6204 0.6204 0.6769 0.6769 1.2167 1.2167 1.3063 1.3063 1.4028 1.4028 5.0550 5.0550 5.1013 5.1013 5.1174 5.1174 5.1224 5.1224 5.3494 5.3494 k = 0.5000 0.5000 0.1897 ( 5704 PWs) bands (ev): -16.9383 -16.9383 -16.8471 -16.8471 -16.8355 -16.8355 -16.8351 -16.8351 -10.6529 -10.6529 -6.7896 -6.7896 -6.5120 -6.5120 -6.5106 -6.5106 -5.1837 -5.1837 -4.3692 -4.3692 -4.3449 -4.3449 -4.3429 -4.3429 -3.0939 -3.0939 -2.8422 -2.8422 -2.8379 -2.8379 -2.8062 -2.8062 -2.7206 -2.7206 -2.3806 -2.3806 -2.3338 -2.3338 -2.3305 -2.3305 0.6180 0.6180 0.6710 0.6710 1.2165 1.2165 1.2992 1.2992 1.3964 1.3964 5.0645 5.0645 5.1112 5.1112 5.1234 5.1234 5.1288 5.1288 5.3441 5.3441 k = 0.5000 0.5000 0.2069 ( 5700 PWs) bands (ev): -16.9390 -16.9390 -16.8461 -16.8461 -16.8354 -16.8354 -16.8351 -16.8351 -10.6552 -10.6552 -6.7755 -6.7755 -6.5156 -6.5156 -6.5141 -6.5141 -5.2184 -5.2184 -4.3546 -4.3546 -4.3374 -4.3374 -4.3355 -4.3355 -3.0848 -3.0848 -2.8518 -2.8518 -2.8474 -2.8474 -2.8060 -2.8060 -2.7299 -2.7299 -2.3676 -2.3676 -2.3255 -2.3255 -2.3221 -2.3221 0.6157 0.6157 0.6649 0.6649 1.2162 1.2162 1.2919 1.2919 1.3897 1.3897 5.0744 5.0744 5.1212 5.1212 5.1296 5.1296 5.1360 5.1360 5.3387 5.3387 k = 0.5000 0.5000 0.2241 ( 5700 PWs) bands (ev): -16.9398 -16.9398 -16.8450 -16.8450 -16.8354 -16.8354 -16.8350 -16.8350 -10.6575 -10.6575 -6.7606 -6.7606 -6.5193 -6.5193 -6.5178 -6.5178 -5.2531 -5.2531 -4.3410 -4.3410 -4.3296 -4.3296 -4.3279 -4.3279 -3.0752 -3.0752 -2.8616 -2.8616 -2.8570 -2.8570 -2.8058 -2.8058 -2.7389 -2.7389 -2.3549 -2.3549 -2.3172 -2.3172 -2.3137 -2.3137 0.6132 0.6132 0.6585 0.6585 1.2158 1.2158 1.2844 1.2844 1.3830 1.3830 5.0846 5.0846 5.1305 5.1305 5.1359 5.1359 5.1444 5.1444 5.3332 5.3332 k = 0.5000 0.5000 0.2414 ( 5716 PWs) bands (ev): -16.9405 -16.9405 -16.8440 -16.8440 -16.8353 -16.8353 -16.8349 -16.8349 -10.6599 -10.6599 -6.7450 -6.7450 -6.5230 -6.5230 -6.5215 -6.5215 -5.2878 -5.2878 -4.3284 -4.3284 -4.3215 -4.3215 -4.3201 -4.3201 -3.0654 -3.0654 -2.8713 -2.8713 -2.8667 -2.8667 -2.8056 -2.8056 -2.7475 -2.7475 -2.3424 -2.3424 -2.3090 -2.3090 -2.3055 -2.3055 0.6107 0.6107 0.6520 0.6520 1.2153 1.2153 1.2767 1.2767 1.3762 1.3762 5.0951 5.0951 5.1387 5.1387 5.1423 5.1423 5.1543 5.1543 5.3276 5.3276 k = 0.5000 0.5000 0.2586 ( 5716 PWs) bands (ev): -16.9412 -16.9412 -16.8429 -16.8429 -16.8352 -16.8352 -16.8348 -16.8348 -10.6623 -10.6623 -6.7289 -6.7289 -6.5267 -6.5267 -6.5252 -6.5252 -5.3221 -5.3221 -4.3173 -4.3173 -4.3130 -4.3130 -4.3123 -4.3123 -3.0553 -3.0553 -2.8809 -2.8809 -2.8762 -2.8762 -2.8055 -2.8055 -2.7557 -2.7557 -2.3304 -2.3304 -2.3009 -2.3009 -2.2974 -2.2974 0.6082 0.6082 0.6454 0.6454 1.2147 1.2147 1.2690 1.2690 1.3696 1.3696 5.1057 5.1057 5.1460 5.1460 5.1487 5.1487 5.1654 5.1654 5.3222 5.3222 k = 0.5000 0.5000 0.2759 ( 5708 PWs) bands (ev): -16.9419 -16.9419 -16.8419 -16.8419 -16.8351 -16.8351 -16.8347 -16.8347 -10.6647 -10.6647 -6.7123 -6.7123 -6.5304 -6.5304 -6.5289 -6.5289 -5.3558 -5.3558 -4.3078 -4.3078 -4.3046 -4.3046 -4.3037 -4.3037 -3.0451 -3.0451 -2.8903 -2.8903 -2.8855 -2.8855 -2.8055 -2.8055 -2.7634 -2.7634 -2.3188 -2.3188 -2.2931 -2.2931 -2.2896 -2.2896 0.6058 0.6058 0.6389 0.6389 1.2140 1.2140 1.2615 1.2615 1.3631 1.3631 5.1163 5.1163 5.1528 5.1528 5.1550 5.1550 5.1771 5.1771 5.3168 5.3168 k = 0.5000 0.5000 0.2931 ( 5700 PWs) bands (ev): -16.9426 -16.9426 -16.8409 -16.8409 -16.8351 -16.8351 -16.8347 -16.8347 -10.6670 -10.6670 -6.6955 -6.6955 -6.5340 -6.5340 -6.5324 -6.5324 -5.3887 -5.3887 -4.2994 -4.2994 -4.2968 -4.2968 -4.2945 -4.2945 -3.0349 -3.0349 -2.8993 -2.8993 -2.8945 -2.8945 -2.8057 -2.8057 -2.7706 -2.7706 -2.3078 -2.3078 -2.2856 -2.2856 -2.2820 -2.2820 0.6034 0.6034 0.6324 0.6324 1.2132 1.2132 1.2541 1.2541 1.3570 1.3570 5.1267 5.1267 5.1591 5.1591 5.1610 5.1610 5.1890 5.1890 5.3116 5.3116 k = 0.5000 0.5000 0.3103 ( 5700 PWs) bands (ev): -16.9432 -16.9432 -16.8400 -16.8400 -16.8350 -16.8350 -16.8346 -16.8346 -10.6693 -10.6693 -6.6786 -6.6786 -6.5375 -6.5375 -6.5359 -6.5359 -5.4206 -5.4206 -4.2917 -4.2917 -4.2893 -4.2893 -4.2858 -4.2858 -3.0248 -3.0248 -2.9080 -2.9080 -2.9031 -2.9031 -2.8060 -2.8060 -2.7773 -2.7773 -2.2975 -2.2975 -2.2785 -2.2785 -2.2749 -2.2749 0.6010 0.6010 0.6261 0.6261 1.2123 1.2123 1.2469 1.2469 1.3511 1.3511 5.1369 5.1369 5.1651 5.1651 5.1668 5.1668 5.2008 5.2008 5.3067 5.3067 k = 0.5000 0.5000 0.3276 ( 5716 PWs) bands (ev): -16.9438 -16.9438 -16.8391 -16.8391 -16.8349 -16.8349 -16.8345 -16.8345 -10.6714 -10.6714 -6.6618 -6.6618 -6.5408 -6.5408 -6.5392 -6.5392 -5.4512 -5.4512 -4.2843 -4.2843 -4.2821 -4.2821 -4.2780 -4.2780 -3.0150 -3.0150 -2.9162 -2.9162 -2.9112 -2.9112 -2.8065 -2.8065 -2.7835 -2.7835 -2.2878 -2.2878 -2.2718 -2.2718 -2.2683 -2.2683 0.5987 0.5987 0.6200 0.6200 1.2113 1.2113 1.2400 1.2400 1.3456 1.3456 5.1466 5.1466 5.1708 5.1708 5.1723 5.1723 5.2124 5.2124 5.3020 5.3020 k = 0.5000 0.5000 0.3448 ( 5716 PWs) bands (ev): -16.9443 -16.9443 -16.8382 -16.8382 -16.8348 -16.8348 -16.8345 -16.8345 -10.6735 -10.6735 -6.6454 -6.6454 -6.5439 -6.5439 -6.5423 -6.5423 -5.4802 -5.4802 -4.2774 -4.2774 -4.2753 -4.2753 -4.2710 -4.2710 -3.0055 -3.0055 -2.9239 -2.9239 -2.9189 -2.9189 -2.8071 -2.8071 -2.7891 -2.7891 -2.2789 -2.2789 -2.2655 -2.2655 -2.2621 -2.2621 0.5966 0.5966 0.6143 0.6143 1.2102 1.2102 1.2336 1.2336 1.3406 1.3406 5.1559 5.1559 5.1761 5.1761 5.1775 5.1775 5.2235 5.2235 5.2977 5.2977 k = 0.5000 0.5000 0.3621 ( 5724 PWs) bands (ev): -16.9449 -16.9449 -16.8375 -16.8375 -16.8348 -16.8348 -16.8344 -16.8344 -10.6754 -10.6754 -6.6296 -6.6296 -6.5468 -6.5468 -6.5452 -6.5452 -5.5073 -5.5073 -4.2710 -4.2710 -4.2689 -4.2689 -4.2649 -4.2649 -2.9965 -2.9965 -2.9309 -2.9309 -2.9259 -2.9259 -2.8079 -2.8079 -2.7941 -2.7941 -2.2709 -2.2709 -2.2597 -2.2597 -2.2564 -2.2564 0.5947 0.5947 0.6089 0.6089 1.2091 1.2091 1.2276 1.2276 1.3360 1.3360 5.1645 5.1645 5.1809 5.1809 5.1823 5.1823 5.2339 5.2339 5.2937 5.2937 k = 0.5000 0.5000 0.3793 ( 5716 PWs) bands (ev): -16.9453 -16.9453 -16.8368 -16.8368 -16.8347 -16.8347 -16.8343 -16.8343 -10.6771 -10.6771 -6.6146 -6.6146 -6.5494 -6.5494 -6.5478 -6.5478 -5.5323 -5.5323 -4.2651 -4.2651 -4.2630 -4.2630 -4.2596 -4.2596 -2.9881 -2.9881 -2.9372 -2.9372 -2.9322 -2.9322 -2.8087 -2.8087 -2.7986 -2.7986 -2.2639 -2.2639 -2.2544 -2.2544 -2.2514 -2.2514 0.5929 0.5929 0.6041 0.6041 1.2080 1.2080 1.2222 1.2222 1.3321 1.3321 5.1724 5.1724 5.1853 5.1853 5.1866 5.1866 5.2435 5.2435 5.2901 5.2901 k = 0.5000 0.5000 0.3966 ( 5732 PWs) bands (ev): -16.9457 -16.9457 -16.8362 -16.8362 -16.8346 -16.8346 -16.8343 -16.8343 -10.6786 -10.6786 -6.6008 -6.6008 -6.5518 -6.5518 -6.5501 -6.5501 -5.5549 -5.5549 -4.2599 -4.2599 -4.2578 -4.2578 -4.2551 -4.2551 -2.9805 -2.9805 -2.9428 -2.9428 -2.9378 -2.9378 -2.8097 -2.8097 -2.8025 -2.8025 -2.2578 -2.2578 -2.2495 -2.2495 -2.2469 -2.2469 0.5913 0.5913 0.5997 0.5997 1.2068 1.2068 1.2173 1.2173 1.3286 1.3286 5.1794 5.1794 5.1892 5.1892 5.1904 5.1904 5.2522 5.2522 5.2870 5.2870 k = 0.5000 0.5000 0.4138 ( 5724 PWs) bands (ev): -16.9461 -16.9461 -16.8357 -16.8357 -16.8346 -16.8346 -16.8342 -16.8342 -10.6799 -10.6799 -6.5885 -6.5885 -6.5538 -6.5538 -6.5521 -6.5521 -5.5747 -5.5747 -4.2554 -4.2554 -4.2533 -4.2533 -4.2512 -4.2512 -2.9739 -2.9739 -2.9475 -2.9475 -2.9427 -2.9427 -2.8106 -2.8106 -2.8058 -2.8058 -2.2527 -2.2527 -2.2452 -2.2452 -2.2431 -2.2431 0.5900 0.5900 0.5959 0.5959 1.2058 1.2058 1.2131 1.2131 1.3257 1.3257 5.1855 5.1855 5.1926 5.1926 5.1937 5.1937 5.2598 5.2598 5.2843 5.2843 k = 0.5000 0.5000 0.4310 ( 5724 PWs) bands (ev): -16.9464 -16.9464 -16.8353 -16.8353 -16.8345 -16.8345 -16.8342 -16.8342 -10.6810 -10.6810 -6.5779 -6.5779 -6.5554 -6.5554 -6.5538 -6.5538 -5.5914 -5.5914 -4.2517 -4.2517 -4.2495 -4.2495 -4.2481 -4.2481 -2.9683 -2.9683 -2.9512 -2.9512 -2.9467 -2.9467 -2.8116 -2.8116 -2.8086 -2.8086 -2.2487 -2.2487 -2.2414 -2.2414 -2.2399 -2.2399 0.5888 0.5888 0.5927 0.5927 1.2049 1.2049 1.2096 1.2096 1.3233 1.3233 5.1906 5.1906 5.1953 5.1953 5.1964 5.1964 5.2662 5.2662 5.2821 5.2821 k = 0.5000 0.5000 0.4483 ( 5724 PWs) bands (ev): -16.9466 -16.9466 -16.8350 -16.8350 -16.8344 -16.8344 -16.8342 -16.8342 -10.6819 -10.6819 -6.5693 -6.5693 -6.5567 -6.5567 -6.5551 -6.5551 -5.6047 -5.6047 -4.2488 -4.2488 -4.2465 -4.2465 -4.2457 -4.2457 -2.9643 -2.9643 -2.9538 -2.9538 -2.9499 -2.9499 -2.8124 -2.8124 -2.8107 -2.8107 -2.2457 -2.2457 -2.2383 -2.2383 -2.2374 -2.2374 0.5880 0.5880 0.5902 0.5902 1.2041 1.2041 1.2069 1.2069 1.3214 1.3214 5.1947 5.1947 5.1975 5.1975 5.1985 5.1985 5.2713 5.2713 5.2804 5.2804 k = 0.5000 0.5000 0.4655 ( 5724 PWs) bands (ev): -16.9467 -16.9467 -16.8348 -16.8348 -16.8343 -16.8343 -16.8342 -16.8342 -10.6825 -10.6825 -6.5631 -6.5631 -6.5575 -6.5575 -6.5560 -6.5560 -5.6145 -5.6145 -4.2467 -4.2467 -4.2443 -4.2443 -4.2440 -4.2440 -2.9623 -2.9623 -2.9547 -2.9547 -2.9522 -2.9522 -2.8131 -2.8131 -2.8122 -2.8122 -2.2436 -2.2436 -2.2361 -2.2361 -2.2356 -2.2356 0.5873 0.5873 0.5884 0.5884 1.2035 1.2035 1.2049 1.2049 1.3201 1.3201 5.1976 5.1976 5.1992 5.1992 5.2000 5.2000 5.2750 5.2750 5.2792 5.2792 k = 0.5000 0.5000 0.4828 ( 5724 PWs) bands (ev): -16.9468 -16.9468 -16.8348 -16.8348 -16.8342 -16.8342 -16.8341 -16.8341 -10.6829 -10.6829 -6.5599 -6.5599 -6.5574 -6.5574 -6.5566 -6.5566 -5.6204 -5.6204 -4.2454 -4.2454 -4.2430 -4.2430 -4.2429 -4.2429 -2.9619 -2.9619 -2.9544 -2.9544 -2.9536 -2.9536 -2.8134 -2.8134 -2.8131 -2.8131 -2.2423 -2.2423 -2.2347 -2.2347 -2.2345 -2.2345 0.5869 0.5869 0.5873 0.5873 1.2032 1.2032 1.2036 1.2036 1.3194 1.3194 5.1994 5.1994 5.2003 5.2003 5.2008 5.2008 5.2772 5.2772 5.2785 5.2785 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -16.9468 -16.9468 -16.8347 -16.8347 -16.8341 -16.8341 -16.8341 -16.8341 -10.6830 -10.6830 -6.5594 -6.5594 -6.5568 -6.5568 -6.5568 -6.5568 -5.6224 -5.6224 -4.2450 -4.2450 -4.2425 -4.2425 -4.2425 -4.2425 -2.9619 -2.9619 -2.9540 -2.9540 -2.9540 -2.9540 -2.8135 -2.8135 -2.8135 -2.8135 -2.2418 -2.2418 -2.2341 -2.2341 -2.2341 -2.2341 0.5872 0.5872 0.5872 0.5872 1.2034 1.2034 1.2034 1.2034 1.3194 1.3194 5.1999 5.1999 5.2009 5.2009 5.2009 5.2009 5.2782 5.2782 5.2782 5.2782 Writing output data file CuBxCNx4.save init_run : 1.07s CPU 0.65s WALL ( 1 calls) electrons : 202.31s CPU 135.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 202.30s CPU 135.80s 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 : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.38s WALL ( 226 calls) cegterg : 163.97s CPU 113.61s WALL ( 226 calls) Called by sum_band: Called by *egterg: h_psi : 132.54s CPU 81.25s WALL ( 3220 calls) s_psi : 7.93s CPU 5.13s WALL ( 3220 calls) g_psi : 0.32s CPU 0.20s WALL ( 2768 calls) cdiaghg : 36.51s CPU 29.80s WALL ( 2994 calls) cegterg:over : 7.62s CPU 5.82s WALL ( 2768 calls) cegterg:upda : 5.96s CPU 4.54s WALL ( 2768 calls) cegterg:last : 2.82s CPU 2.56s WALL ( 678 calls) cdiaghg:chol : 2.10s CPU 1.73s WALL ( 2994 calls) cdiaghg:inve : 1.12s CPU 1.08s WALL ( 2994 calls) cdiaghg:para : 2.15s CPU 1.81s WALL ( 5988 calls) Called by h_psi: h_psi:vloc : 116.24s CPU 70.48s WALL ( 3220 calls) h_psi:vnl : 15.92s CPU 10.55s WALL ( 3220 calls) add_vuspsi : 7.96s CPU 5.25s WALL ( 3220 calls) General routines calbec : 7.94s CPU 5.28s WALL ( 3220 calls) fft : 0.13s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 109.76s CPU 66.10s WALL ( 531692 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.21s CPU 0.94s WALL ( 452 calls) Parallel routines fft_scatter : 42.35s CPU 28.07s WALL ( 531715 calls) PWSCF : 3m38.93s CPU 2m41.34s WALL This run was terminated on: 2:37:31 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=