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: ./LiBxCNx4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 97 97 27 4351 4351 635 Max 98 98 28 4358 4358 637 Sum 3521 3521 973 156795 156795 22887 bravais-lattice index = 14 lattice parameter (alat) = 10.3585 a.u. unit-cell volume = 1111.4624 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.358533 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 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 atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 156795 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.84 Mb ( 1098, 50) NL pseudopotentials 1.17 Mb ( 549, 140) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4353) G-vector shells 0.01 Mb ( 771) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.35 Mb ( 1098, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 140, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiBxCNx4.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.5 secs Computing kpt #: 7 total cpu time spent up to now is 9.7 secs Computing kpt #: 8 total cpu time spent up to now is 10.9 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 13.0 secs Computing kpt #: 11 total cpu time spent up to now is 14.0 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.0 secs Computing kpt #: 14 total cpu time spent up to now is 17.0 secs Computing kpt #: 15 total cpu time spent up to now is 18.0 secs Computing kpt #: 16 total cpu time spent up to now is 19.0 secs Computing kpt #: 17 total cpu time spent up to now is 20.0 secs Computing kpt #: 18 total cpu time spent up to now is 21.0 secs Computing kpt #: 19 total cpu time spent up to now is 22.0 secs Computing kpt #: 20 total cpu time spent up to now is 23.0 secs Computing kpt #: 21 total cpu time spent up to now is 23.9 secs Computing kpt #: 22 total cpu time spent up to now is 24.9 secs Computing kpt #: 23 total cpu time spent up to now is 25.8 secs Computing kpt #: 24 total cpu time spent up to now is 26.7 secs Computing kpt #: 25 total cpu time spent up to now is 27.7 secs Computing kpt #: 26 total cpu time spent up to now is 28.6 secs Computing kpt #: 27 total cpu time spent up to now is 29.5 secs Computing kpt #: 28 total cpu time spent up to now is 30.5 secs Computing kpt #: 29 total cpu time spent up to now is 31.5 secs Computing kpt #: 30 total cpu time spent up to now is 32.4 secs Computing kpt #: 31 total cpu time spent up to now is 33.3 secs Computing kpt #: 32 total cpu time spent up to now is 34.3 secs Computing kpt #: 33 total cpu time spent up to now is 35.2 secs Computing kpt #: 34 total cpu time spent up to now is 36.2 secs Computing kpt #: 35 total cpu time spent up to now is 37.1 secs Computing kpt #: 36 total cpu time spent up to now is 38.1 secs Computing kpt #: 37 total cpu time spent up to now is 39.0 secs Computing kpt #: 38 total cpu time spent up to now is 40.0 secs Computing kpt #: 39 total cpu time spent up to now is 41.0 secs Computing kpt #: 40 total cpu time spent up to now is 42.0 secs Computing kpt #: 41 total cpu time spent up to now is 43.0 secs Computing kpt #: 42 total cpu time spent up to now is 44.0 secs Computing kpt #: 43 total cpu time spent up to now is 45.0 secs Computing kpt #: 44 total cpu time spent up to now is 46.0 secs Computing kpt #: 45 total cpu time spent up to now is 47.1 secs Computing kpt #: 46 total cpu time spent up to now is 48.2 secs Computing kpt #: 47 total cpu time spent up to now is 49.4 secs Computing kpt #: 48 total cpu time spent up to now is 50.6 secs Computing kpt #: 49 total cpu time spent up to now is 51.8 secs Computing kpt #: 50 total cpu time spent up to now is 53.1 secs Computing kpt #: 51 total cpu time spent up to now is 54.2 secs Computing kpt #: 52 total cpu time spent up to now is 55.3 secs Computing kpt #: 53 total cpu time spent up to now is 56.3 secs Computing kpt #: 54 total cpu time spent up to now is 57.3 secs Computing kpt #: 55 total cpu time spent up to now is 58.3 secs Computing kpt #: 56 total cpu time spent up to now is 59.3 secs Computing kpt #: 57 total cpu time spent up to now is 60.3 secs Computing kpt #: 58 total cpu time spent up to now is 61.2 secs Computing kpt #: 59 total cpu time spent up to now is 62.2 secs Computing kpt #: 60 total cpu time spent up to now is 63.2 secs Computing kpt #: 61 total cpu time spent up to now is 64.2 secs Computing kpt #: 62 total cpu time spent up to now is 65.2 secs Computing kpt #: 63 total cpu time spent up to now is 66.2 secs Computing kpt #: 64 total cpu time spent up to now is 67.2 secs Computing kpt #: 65 total cpu time spent up to now is 68.2 secs Computing kpt #: 66 total cpu time spent up to now is 69.2 secs Computing kpt #: 67 total cpu time spent up to now is 70.3 secs Computing kpt #: 68 total cpu time spent up to now is 71.3 secs Computing kpt #: 69 total cpu time spent up to now is 72.3 secs Computing kpt #: 70 total cpu time spent up to now is 73.4 secs Computing kpt #: 71 total cpu time spent up to now is 74.4 secs Computing kpt #: 72 total cpu time spent up to now is 75.7 secs Computing kpt #: 73 total cpu time spent up to now is 76.9 secs Computing kpt #: 74 total cpu time spent up to now is 78.1 secs Computing kpt #: 75 total cpu time spent up to now is 79.3 secs Computing kpt #: 76 total cpu time spent up to now is 80.3 secs Computing kpt #: 77 total cpu time spent up to now is 81.4 secs Computing kpt #: 78 total cpu time spent up to now is 82.4 secs Computing kpt #: 79 total cpu time spent up to now is 83.5 secs Computing kpt #: 80 total cpu time spent up to now is 84.5 secs Computing kpt #: 81 total cpu time spent up to now is 85.5 secs Computing kpt #: 82 total cpu time spent up to now is 86.6 secs Computing kpt #: 83 total cpu time spent up to now is 87.6 secs Computing kpt #: 84 total cpu time spent up to now is 88.8 secs Computing kpt #: 85 total cpu time spent up to now is 89.9 secs Computing kpt #: 86 total cpu time spent up to now is 90.9 secs Computing kpt #: 87 total cpu time spent up to now is 91.9 secs Computing kpt #: 88 total cpu time spent up to now is 92.9 secs Computing kpt #: 89 total cpu time spent up to now is 94.1 secs Computing kpt #: 90 total cpu time spent up to now is 95.2 secs Computing kpt #: 91 total cpu time spent up to now is 96.4 secs Computing kpt #: 92 total cpu time spent up to now is 97.5 secs Computing kpt #: 93 total cpu time spent up to now is 98.8 secs Computing kpt #: 94 total cpu time spent up to now is 100.0 secs Computing kpt #: 95 total cpu time spent up to now is 101.2 secs Computing kpt #: 96 total cpu time spent up to now is 102.4 secs Computing kpt #: 97 total cpu time spent up to now is 103.6 secs Computing kpt #: 98 total cpu time spent up to now is 104.8 secs Computing kpt #: 99 total cpu time spent up to now is 106.0 secs Computing kpt #: 100 total cpu time spent up to now is 107.2 secs Computing kpt #: 101 total cpu time spent up to now is 108.4 secs Computing kpt #: 102 total cpu time spent up to now is 109.3 secs Computing kpt #: 103 total cpu time spent up to now is 110.2 secs Computing kpt #: 104 total cpu time spent up to now is 111.1 secs Computing kpt #: 105 total cpu time spent up to now is 112.1 secs Computing kpt #: 106 total cpu time spent up to now is 113.3 secs Computing kpt #: 107 total cpu time spent up to now is 114.4 secs Computing kpt #: 108 total cpu time spent up to now is 115.6 secs Computing kpt #: 109 total cpu time spent up to now is 116.8 secs Computing kpt #: 110 total cpu time spent up to now is 118.0 secs Computing kpt #: 111 total cpu time spent up to now is 119.2 secs Computing kpt #: 112 total cpu time spent up to now is 120.4 secs Computing kpt #: 113 total cpu time spent up to now is 121.6 secs Computing kpt #: 114 total cpu time spent up to now is 122.8 secs Computing kpt #: 115 total cpu time spent up to now is 124.0 secs Computing kpt #: 116 total cpu time spent up to now is 125.3 secs Computing kpt #: 117 total cpu time spent up to now is 126.5 secs Computing kpt #: 118 total cpu time spent up to now is 127.7 secs Computing kpt #: 119 total cpu time spent up to now is 128.9 secs Computing kpt #: 120 total cpu time spent up to now is 130.1 secs Computing kpt #: 121 total cpu time spent up to now is 131.3 secs Computing kpt #: 122 total cpu time spent up to now is 132.5 secs Computing kpt #: 123 total cpu time spent up to now is 133.8 secs Computing kpt #: 124 total cpu time spent up to now is 135.0 secs Computing kpt #: 125 total cpu time spent up to now is 136.3 secs Computing kpt #: 126 total cpu time spent up to now is 137.5 secs Computing kpt #: 127 total cpu time spent up to now is 138.7 secs Computing kpt #: 128 total cpu time spent up to now is 140.0 secs Computing kpt #: 129 total cpu time spent up to now is 141.3 secs Computing kpt #: 130 total cpu time spent up to now is 142.5 secs Computing kpt #: 131 total cpu time spent up to now is 143.7 secs Computing kpt #: 132 total cpu time spent up to now is 144.9 secs Computing kpt #: 133 total cpu time spent up to now is 146.2 secs Computing kpt #: 134 total cpu time spent up to now is 147.4 secs Computing kpt #: 135 total cpu time spent up to now is 148.7 secs Computing kpt #: 136 total cpu time spent up to now is 149.9 secs Computing kpt #: 137 total cpu time spent up to now is 151.1 secs Computing kpt #: 138 total cpu time spent up to now is 152.4 secs Computing kpt #: 139 total cpu time spent up to now is 153.6 secs Computing kpt #: 140 total cpu time spent up to now is 154.9 secs Computing kpt #: 141 total cpu time spent up to now is 156.1 secs Computing kpt #: 142 total cpu time spent up to now is 157.4 secs Computing kpt #: 143 total cpu time spent up to now is 158.7 secs Computing kpt #: 144 total cpu time spent up to now is 159.9 secs Computing kpt #: 145 total cpu time spent up to now is 161.2 secs Computing kpt #: 146 total cpu time spent up to now is 162.5 secs Computing kpt #: 147 total cpu time spent up to now is 163.7 secs Computing kpt #: 148 total cpu time spent up to now is 164.9 secs Computing kpt #: 149 total cpu time spent up to now is 166.2 secs Computing kpt #: 150 total cpu time spent up to now is 167.5 secs Computing kpt #: 151 total cpu time spent up to now is 168.7 secs Computing kpt #: 152 total cpu time spent up to now is 169.9 secs Computing kpt #: 153 total cpu time spent up to now is 171.2 secs Computing kpt #: 154 total cpu time spent up to now is 172.4 secs Computing kpt #: 155 total cpu time spent up to now is 173.7 secs Computing kpt #: 156 total cpu time spent up to now is 174.9 secs Computing kpt #: 157 total cpu time spent up to now is 176.2 secs Computing kpt #: 158 total cpu time spent up to now is 177.4 secs Computing kpt #: 159 total cpu time spent up to now is 178.7 secs Computing kpt #: 160 total cpu time spent up to now is 180.0 secs Computing kpt #: 161 total cpu time spent up to now is 181.3 secs Computing kpt #: 162 total cpu time spent up to now is 182.5 secs Computing kpt #: 163 total cpu time spent up to now is 183.8 secs Computing kpt #: 164 total cpu time spent up to now is 185.0 secs Computing kpt #: 165 total cpu time spent up to now is 186.3 secs Computing kpt #: 166 total cpu time spent up to now is 188.3 secs Computing kpt #: 167 total cpu time spent up to now is 189.5 secs Computing kpt #: 168 total cpu time spent up to now is 190.7 secs Computing kpt #: 169 total cpu time spent up to now is 191.9 secs Computing kpt #: 170 total cpu time spent up to now is 193.1 secs Computing kpt #: 171 total cpu time spent up to now is 194.3 secs Computing kpt #: 172 total cpu time spent up to now is 195.6 secs Computing kpt #: 173 total cpu time spent up to now is 196.8 secs Computing kpt #: 174 total cpu time spent up to now is 198.1 secs Computing kpt #: 175 total cpu time spent up to now is 199.3 secs Computing kpt #: 176 total cpu time spent up to now is 200.5 secs Computing kpt #: 177 total cpu time spent up to now is 201.7 secs Computing kpt #: 178 total cpu time spent up to now is 202.9 secs Computing kpt #: 179 total cpu time spent up to now is 203.9 secs Computing kpt #: 180 total cpu time spent up to now is 204.9 secs Computing kpt #: 181 total cpu time spent up to now is 205.9 secs Computing kpt #: 182 total cpu time spent up to now is 206.8 secs Computing kpt #: 183 total cpu time spent up to now is 207.8 secs Computing kpt #: 184 total cpu time spent up to now is 208.8 secs Computing kpt #: 185 total cpu time spent up to now is 209.8 secs Computing kpt #: 186 total cpu time spent up to now is 210.8 secs Computing kpt #: 187 total cpu time spent up to now is 211.8 secs Computing kpt #: 188 total cpu time spent up to now is 212.8 secs Computing kpt #: 189 total cpu time spent up to now is 213.8 secs Computing kpt #: 190 total cpu time spent up to now is 214.8 secs Computing kpt #: 191 total cpu time spent up to now is 215.7 secs Computing kpt #: 192 total cpu time spent up to now is 216.7 secs Computing kpt #: 193 total cpu time spent up to now is 217.6 secs Computing kpt #: 194 total cpu time spent up to now is 218.5 secs Computing kpt #: 195 total cpu time spent up to now is 219.4 secs Computing kpt #: 196 total cpu time spent up to now is 220.4 secs Computing kpt #: 197 total cpu time spent up to now is 221.4 secs Computing kpt #: 198 total cpu time spent up to now is 222.4 secs Computing kpt #: 199 total cpu time spent up to now is 223.4 secs Computing kpt #: 200 total cpu time spent up to now is 224.4 secs Computing kpt #: 201 total cpu time spent up to now is 225.4 secs Computing kpt #: 202 total cpu time spent up to now is 226.5 secs Computing kpt #: 203 total cpu time spent up to now is 227.5 secs Computing kpt #: 204 total cpu time spent up to now is 228.5 secs Computing kpt #: 205 total cpu time spent up to now is 229.5 secs Computing kpt #: 206 total cpu time spent up to now is 230.5 secs Computing kpt #: 207 total cpu time spent up to now is 231.5 secs Computing kpt #: 208 total cpu time spent up to now is 232.5 secs Computing kpt #: 209 total cpu time spent up to now is 233.6 secs Computing kpt #: 210 total cpu time spent up to now is 234.7 secs Computing kpt #: 211 total cpu time spent up to now is 235.7 secs Computing kpt #: 212 total cpu time spent up to now is 236.8 secs Computing kpt #: 213 total cpu time spent up to now is 237.9 secs Computing kpt #: 214 total cpu time spent up to now is 239.0 secs Computing kpt #: 215 total cpu time spent up to now is 240.0 secs Computing kpt #: 216 total cpu time spent up to now is 241.2 secs Computing kpt #: 217 total cpu time spent up to now is 242.4 secs Computing kpt #: 218 total cpu time spent up to now is 243.7 secs Computing kpt #: 219 total cpu time spent up to now is 244.9 secs Computing kpt #: 220 total cpu time spent up to now is 246.2 secs Computing kpt #: 221 total cpu time spent up to now is 247.4 secs Computing kpt #: 222 total cpu time spent up to now is 248.7 secs Computing kpt #: 223 total cpu time spent up to now is 249.9 secs Computing kpt #: 224 total cpu time spent up to now is 251.2 secs Computing kpt #: 225 total cpu time spent up to now is 252.4 secs ethr = 2.38E-08, avg # of iterations = 20.5 total cpu time spent up to now is 252.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 19549 PWs) bands (ev): -43.0925 -43.0925 -17.8282 -17.8282 -17.5876 -17.5876 -17.5876 -17.5876 -17.5876 -17.5876 -11.6700 -11.6700 -7.3364 -7.3364 -7.3364 -7.3364 -7.3362 -7.3362 -4.9740 -4.9740 -4.2177 -4.2177 -4.2177 -4.2177 -4.1214 -4.1214 -4.1188 -4.1188 -4.1188 -4.1188 -3.2388 -3.2388 -3.2316 -3.2316 -3.2316 -3.2316 -3.1046 -3.1046 -3.0999 -3.0999 -3.0999 -3.0999 3.5970 3.5970 3.6071 3.6071 3.6071 3.6071 4.1227 4.1227 k = 0.0000 0.0172-0.0000 ( 19573 PWs) bands (ev): -43.0926 -43.0926 -17.8281 -17.8281 -17.5877 -17.5877 -17.5876 -17.5876 -17.5875 -17.5875 -11.6700 -11.6700 -7.3367 -7.3367 -7.3365 -7.3365 -7.3363 -7.3363 -4.9738 -4.9738 -4.2213 -4.2213 -4.2172 -4.2172 -4.1212 -4.1212 -4.1192 -4.1192 -4.1155 -4.1155 -3.2390 -3.2390 -3.2320 -3.2320 -3.2315 -3.2315 -3.1045 -3.1045 -3.1000 -3.1000 -3.0996 -3.0996 3.5976 3.5976 3.6076 3.6076 3.6077 3.6077 4.1227 4.1227 k = 0.0000 0.0345-0.0000 ( 19585 PWs) bands (ev): -43.0926 -43.0926 -17.8277 -17.8277 -17.5881 -17.5881 -17.5876 -17.5876 -17.5875 -17.5875 -11.6699 -11.6699 -7.3374 -7.3374 -7.3365 -7.3365 -7.3363 -7.3363 -4.9731 -4.9731 -4.2307 -4.2307 -4.2158 -4.2158 -4.1223 -4.1223 -4.1204 -4.1204 -4.1053 -4.1053 -3.2397 -3.2397 -3.2328 -3.2328 -3.2311 -3.2311 -3.1045 -3.1045 -3.1000 -3.1000 -3.0987 -3.0987 3.5994 3.5994 3.6091 3.6091 3.6098 3.6098 4.1226 4.1226 k = 0.0000 0.0517-0.0000 ( 19617 PWs) bands (ev): -43.0926 -43.0926 -17.8271 -17.8271 -17.5888 -17.5888 -17.5876 -17.5876 -17.5875 -17.5875 -11.6698 -11.6698 -7.3386 -7.3386 -7.3365 -7.3365 -7.3364 -7.3364 -4.9720 -4.9720 -4.2435 -4.2435 -4.2134 -4.2134 -4.1243 -4.1243 -4.1225 -4.1225 -4.0911 -4.0911 -3.2419 -3.2419 -3.2334 -3.2334 -3.2304 -3.2304 -3.1051 -3.1051 -3.0992 -3.0992 -3.0972 -3.0972 3.6022 3.6022 3.6117 3.6117 3.6132 3.6132 4.1224 4.1224 k = 0.0000 0.0690-0.0000 ( 19637 PWs) bands (ev): -43.0926 -43.0926 -17.8262 -17.8262 -17.5897 -17.5897 -17.5875 -17.5875 -17.5875 -17.5875 -11.6697 -11.6697 -7.3403 -7.3403 -7.3366 -7.3366 -7.3364 -7.3364 -4.9705 -4.9705 -4.2579 -4.2579 -4.2100 -4.2100 -4.1272 -4.1272 -4.1252 -4.1252 -4.0745 -4.0745 -3.2460 -3.2460 -3.2333 -3.2333 -3.2297 -3.2297 -3.1067 -3.1067 -3.0974 -3.0974 -3.0951 -3.0951 3.6060 3.6060 3.6155 3.6155 3.6179 3.6179 4.1222 4.1222 k = 0.0000 0.0862-0.0000 ( 19637 PWs) bands (ev): -43.0926 -43.0926 -17.8251 -17.8251 -17.5908 -17.5908 -17.5875 -17.5875 -17.5875 -17.5875 -11.6695 -11.6695 -7.3424 -7.3424 -7.3367 -7.3367 -7.3365 -7.3365 -4.9687 -4.9687 -4.2730 -4.2730 -4.2057 -4.2057 -4.1308 -4.1308 -4.1287 -4.1287 -4.0566 -4.0566 -3.2517 -3.2517 -3.2326 -3.2326 -3.2288 -3.2288 -3.1091 -3.1091 -3.0947 -3.0947 -3.0924 -3.0924 3.6107 3.6107 3.6206 3.6206 3.6239 3.6239 4.1218 4.1218 k = 0.0000 0.1034-0.0000 ( 19629 PWs) bands (ev): -43.0926 -43.0926 -17.8237 -17.8237 -17.5922 -17.5922 -17.5875 -17.5875 -17.5875 -17.5875 -11.6693 -11.6693 -7.3450 -7.3450 -7.3368 -7.3368 -7.3366 -7.3366 -4.9665 -4.9665 -4.2882 -4.2882 -4.2005 -4.2005 -4.1350 -4.1350 -4.1328 -4.1328 -4.0381 -4.0381 -3.2588 -3.2588 -3.2318 -3.2318 -3.2279 -3.2279 -3.1121 -3.1121 -3.0912 -3.0912 -3.0890 -3.0890 3.6161 3.6161 3.6271 3.6271 3.6311 3.6311 4.1212 4.1212 k = 0.0000 0.1207-0.0000 ( 19621 PWs) bands (ev): -43.0926 -43.0926 -17.8221 -17.8221 -17.5939 -17.5939 -17.5874 -17.5874 -17.5874 -17.5874 -11.6690 -11.6690 -7.3480 -7.3480 -7.3369 -7.3369 -7.3368 -7.3368 -4.9640 -4.9640 -4.3032 -4.3032 -4.1944 -4.1944 -4.1398 -4.1398 -4.1375 -4.1375 -4.0191 -4.0191 -3.2673 -3.2673 -3.2309 -3.2309 -3.2270 -3.2270 -3.1156 -3.1156 -3.0870 -3.0870 -3.0849 -3.0849 3.6223 3.6223 3.6349 3.6349 3.6395 3.6395 4.1204 4.1204 k = 0.0000 0.1379-0.0000 ( 19629 PWs) bands (ev): -43.0926 -43.0926 -17.8203 -17.8203 -17.5958 -17.5958 -17.5874 -17.5874 -17.5874 -17.5874 -11.6688 -11.6688 -7.3513 -7.3513 -7.3370 -7.3370 -7.3369 -7.3369 -4.9613 -4.9613 -4.3178 -4.3178 -4.1874 -4.1874 -4.1451 -4.1451 -4.1427 -4.1427 -4.0000 -4.0000 -3.2769 -3.2769 -3.2301 -3.2301 -3.2262 -3.2262 -3.1197 -3.1197 -3.0821 -3.0821 -3.0802 -3.0802 3.6293 3.6293 3.6440 3.6440 3.6489 3.6489 4.1194 4.1194 k = 0.0000 0.1552-0.0000 ( 19633 PWs) bands (ev): -43.0926 -43.0926 -17.8182 -17.8182 -17.5979 -17.5979 -17.5874 -17.5874 -17.5873 -17.5873 -11.6685 -11.6685 -7.3549 -7.3549 -7.3372 -7.3372 -7.3370 -7.3370 -4.9584 -4.9584 -4.3318 -4.3318 -4.1796 -4.1796 -4.1509 -4.1509 -4.1483 -4.1483 -3.9808 -3.9808 -3.2877 -3.2877 -3.2294 -3.2294 -3.2257 -3.2257 -3.1242 -3.1242 -3.0765 -3.0765 -3.0748 -3.0748 3.6370 3.6370 3.6543 3.6543 3.6595 3.6595 4.1180 4.1180 k = 0.0000 0.1724-0.0000 ( 19629 PWs) bands (ev): -43.0926 -43.0926 -17.8160 -17.8160 -17.6002 -17.6002 -17.5873 -17.5873 -17.5873 -17.5873 -11.6681 -11.6681 -7.3587 -7.3587 -7.3373 -7.3373 -7.3372 -7.3372 -4.9554 -4.9554 -4.3452 -4.3452 -4.1710 -4.1710 -4.1569 -4.1569 -4.1543 -4.1543 -3.9617 -3.9617 -3.2995 -3.2995 -3.2288 -3.2288 -3.2253 -3.2253 -3.1292 -3.1292 -3.0704 -3.0704 -3.0689 -3.0689 3.6457 3.6457 3.6656 3.6656 3.6709 3.6709 4.1163 4.1163 k = 0.0000 0.1897-0.0000 ( 19633 PWs) bands (ev): -43.0926 -43.0926 -17.8136 -17.8136 -17.6027 -17.6027 -17.5873 -17.5873 -17.5873 -17.5873 -11.6678 -11.6678 -7.3628 -7.3628 -7.3375 -7.3375 -7.3374 -7.3374 -4.9523 -4.9523 -4.3579 -4.3579 -4.1637 -4.1637 -4.1613 -4.1613 -4.1605 -4.1605 -3.9429 -3.9429 -3.3123 -3.3123 -3.2285 -3.2285 -3.2251 -3.2251 -3.1345 -3.1345 -3.0638 -3.0638 -3.0625 -3.0625 3.6553 3.6553 3.6777 3.6777 3.6832 3.6832 4.1141 4.1141 k = 0.0000 0.2069-0.0000 ( 19645 PWs) bands (ev): -43.0926 -43.0926 -17.8110 -17.8110 -17.6053 -17.6053 -17.5872 -17.5872 -17.5872 -17.5872 -11.6674 -11.6674 -7.3671 -7.3671 -7.3377 -7.3377 -7.3375 -7.3375 -4.9492 -4.9492 -4.3698 -4.3698 -4.1698 -4.1698 -4.1669 -4.1669 -4.1514 -4.1514 -3.9243 -3.9243 -3.3260 -3.3260 -3.2285 -3.2285 -3.2252 -3.2252 -3.1402 -3.1402 -3.0568 -3.0568 -3.0556 -3.0556 3.6657 3.6657 3.6907 3.6907 3.6962 3.6962 4.1115 4.1115 k = 0.0000 0.2241-0.0000 ( 19661 PWs) bands (ev): -43.0926 -43.0926 -17.8082 -17.8082 -17.6081 -17.6081 -17.5872 -17.5872 -17.5872 -17.5872 -11.6670 -11.6670 -7.3714 -7.3714 -7.3379 -7.3379 -7.3377 -7.3377 -4.9462 -4.9462 -4.3809 -4.3809 -4.1764 -4.1764 -4.1734 -4.1734 -4.1407 -4.1407 -3.9061 -3.9061 -3.3404 -3.3404 -3.2286 -3.2286 -3.2255 -3.2255 -3.1461 -3.1461 -3.0495 -3.0495 -3.0484 -3.0484 3.6772 3.6772 3.7042 3.7042 3.7098 3.7098 4.1082 4.1082 k = 0.0000 0.2414-0.0000 ( 19669 PWs) bands (ev): -43.0926 -43.0926 -17.8054 -17.8054 -17.6111 -17.6111 -17.5871 -17.5871 -17.5871 -17.5871 -11.6667 -11.6667 -7.3758 -7.3758 -7.3380 -7.3380 -7.3379 -7.3379 -4.9432 -4.9432 -4.3912 -4.3912 -4.1830 -4.1830 -4.1798 -4.1798 -4.1294 -4.1294 -3.8883 -3.8883 -3.3554 -3.3554 -3.2290 -3.2290 -3.2260 -3.2260 -3.1523 -3.1523 -3.0420 -3.0420 -3.0409 -3.0409 3.6895 3.6895 3.7183 3.7183 3.7238 3.7238 4.1043 4.1043 k = 0.0000 0.2586-0.0000 ( 19661 PWs) bands (ev): -43.0926 -43.0926 -17.8024 -17.8024 -17.6142 -17.6142 -17.5871 -17.5871 -17.5871 -17.5871 -11.6663 -11.6663 -7.3802 -7.3802 -7.3382 -7.3382 -7.3381 -7.3381 -4.9404 -4.9404 -4.4006 -4.4006 -4.1895 -4.1895 -4.1863 -4.1863 -4.1175 -4.1175 -3.8711 -3.8711 -3.3710 -3.3710 -3.2295 -3.2295 -3.2267 -3.2267 -3.1587 -3.1587 -3.0344 -3.0344 -3.0334 -3.0334 3.7027 3.7027 3.7327 3.7327 3.7381 3.7381 4.0997 4.0997 k = 0.0000 0.2759-0.0000 ( 19638 PWs) bands (ev): -43.0926 -43.0926 -17.7993 -17.7993 -17.6173 -17.6173 -17.5870 -17.5870 -17.5870 -17.5870 -11.6659 -11.6659 -7.3846 -7.3846 -7.3384 -7.3384 -7.3383 -7.3383 -4.9378 -4.9378 -4.4091 -4.4091 -4.1958 -4.1958 -4.1925 -4.1925 -4.1052 -4.1052 -3.8545 -3.8545 -3.3869 -3.3869 -3.2302 -3.2302 -3.2275 -3.2275 -3.1652 -3.1652 -3.0268 -3.0268 -3.0257 -3.0257 3.7168 3.7168 3.7472 3.7472 3.7526 3.7526 4.0943 4.0943 k = 0.0000 0.2931-0.0000 ( 19646 PWs) bands (ev): -43.0926 -43.0926 -17.7962 -17.7962 -17.6205 -17.6205 -17.5870 -17.5870 -17.5870 -17.5870 -11.6655 -11.6655 -7.3889 -7.3889 -7.3386 -7.3386 -7.3385 -7.3385 -4.9354 -4.9354 -4.4168 -4.4168 -4.2019 -4.2019 -4.1986 -4.1986 -4.0927 -4.0927 -3.8386 -3.8386 -3.4031 -3.4031 -3.2310 -3.2310 -3.2284 -3.2284 -3.1717 -3.1717 -3.0194 -3.0194 -3.0182 -3.0182 3.7316 3.7316 3.7617 3.7617 3.7671 3.7671 4.0881 4.0881 k = 0.0000 0.3103-0.0000 ( 19646 PWs) bands (ev): -43.0926 -43.0926 -17.7931 -17.7931 -17.6237 -17.6237 -17.5869 -17.5869 -17.5869 -17.5869 -11.6652 -11.6652 -7.3930 -7.3930 -7.3388 -7.3388 -7.3387 -7.3387 -4.9332 -4.9332 -4.4237 -4.4237 -4.2078 -4.2078 -4.2044 -4.2044 -4.0799 -4.0799 -3.8235 -3.8235 -3.4194 -3.4194 -3.2319 -3.2319 -3.2294 -3.2294 -3.1782 -3.1782 -3.0121 -3.0121 -3.0109 -3.0109 3.7472 3.7472 3.7761 3.7761 3.7813 3.7813 4.0811 4.0811 k = 0.0000 0.3276-0.0000 ( 19658 PWs) bands (ev): -43.0926 -43.0926 -17.7899 -17.7899 -17.6269 -17.6269 -17.5869 -17.5869 -17.5869 -17.5869 -11.6648 -11.6648 -7.3970 -7.3970 -7.3390 -7.3390 -7.3388 -7.3388 -4.9313 -4.9313 -4.4297 -4.4297 -4.2133 -4.2133 -4.2098 -4.2098 -4.0670 -4.0670 -3.8093 -3.8093 -3.4356 -3.4356 -3.2328 -3.2328 -3.2304 -3.2304 -3.1845 -3.1845 -3.0052 -3.0052 -3.0039 -3.0039 3.7634 3.7634 3.7901 3.7901 3.7952 3.7952 4.0731 4.0731 k = 0.0000 0.3448-0.0000 ( 19666 PWs) bands (ev): -43.0926 -43.0926 -17.7869 -17.7869 -17.6300 -17.6300 -17.5868 -17.5868 -17.5868 -17.5868 -11.6645 -11.6645 -7.4007 -7.4007 -7.3391 -7.3391 -7.3390 -7.3390 -4.9296 -4.9296 -4.4350 -4.4350 -4.2185 -4.2185 -4.2149 -4.2149 -4.0543 -4.0543 -3.7960 -3.7960 -3.4515 -3.4515 -3.2338 -3.2338 -3.2314 -3.2314 -3.1907 -3.1907 -2.9986 -2.9986 -2.9972 -2.9972 3.7801 3.7801 3.8035 3.8035 3.8085 3.8085 4.0642 4.0642 k = 0.0000 0.3621-0.0000 ( 19650 PWs) bands (ev): -43.0926 -43.0926 -17.7839 -17.7839 -17.6330 -17.6330 -17.5868 -17.5868 -17.5868 -17.5868 -11.6642 -11.6642 -7.4041 -7.4041 -7.3393 -7.3393 -7.3391 -7.3391 -4.9281 -4.9281 -4.4396 -4.4396 -4.2232 -4.2232 -4.2196 -4.2196 -4.0419 -4.0419 -3.7838 -3.7838 -3.4669 -3.4669 -3.2347 -3.2347 -3.2324 -3.2324 -3.1965 -3.1965 -2.9926 -2.9926 -2.9911 -2.9911 3.7971 3.7971 3.8163 3.8163 3.8210 3.8210 4.0544 4.0544 k = 0.0000 0.3793-0.0000 ( 19642 PWs) bands (ev): -43.0926 -43.0926 -17.7811 -17.7811 -17.6359 -17.6359 -17.5868 -17.5868 -17.5867 -17.5867 -11.6639 -11.6639 -7.4072 -7.4072 -7.3394 -7.3394 -7.3393 -7.3393 -4.9269 -4.9269 -4.4434 -4.4434 -4.2274 -4.2274 -4.2238 -4.2238 -4.0299 -4.0299 -3.7727 -3.7727 -3.4815 -3.4815 -3.2356 -3.2356 -3.2334 -3.2334 -3.2020 -3.2020 -2.9870 -2.9870 -2.9855 -2.9855 3.8144 3.8144 3.8284 3.8284 3.8327 3.8327 4.0437 4.0437 k = 0.0000 0.3966-0.0000 ( 19662 PWs) bands (ev): -43.0926 -43.0926 -17.7785 -17.7785 -17.6385 -17.6385 -17.5867 -17.5867 -17.5867 -17.5867 -11.6637 -11.6637 -7.4100 -7.4100 -7.3395 -7.3395 -7.3394 -7.3394 -4.9259 -4.9259 -4.4467 -4.4467 -4.2312 -4.2312 -4.2275 -4.2275 -4.0187 -4.0187 -3.7628 -3.7628 -3.4951 -3.4951 -3.2364 -3.2364 -3.2343 -3.2343 -3.2070 -3.2070 -2.9821 -2.9821 -2.9805 -2.9805 3.8310 3.8310 3.8400 3.8400 3.8432 3.8432 4.0321 4.0321 k = 0.0000 0.4138-0.0000 ( 19658 PWs) bands (ev): -43.0926 -43.0926 -17.7762 -17.7762 -17.6409 -17.6409 -17.5867 -17.5867 -17.5867 -17.5867 -11.6634 -11.6634 -7.4124 -7.4124 -7.3396 -7.3396 -7.3395 -7.3395 -4.9250 -4.9250 -4.4493 -4.4493 -4.2344 -4.2344 -4.2307 -4.2307 -4.0085 -4.0085 -3.7543 -3.7543 -3.5073 -3.5073 -3.2372 -3.2372 -3.2351 -3.2351 -3.2114 -3.2114 -2.9779 -2.9779 -2.9762 -2.9762 3.8447 3.8447 3.8520 3.8520 3.8539 3.8539 4.0196 4.0196 k = 0.0000 0.4310-0.0000 ( 19650 PWs) bands (ev): -43.0926 -43.0926 -17.7742 -17.7742 -17.6430 -17.6430 -17.5867 -17.5867 -17.5867 -17.5867 -11.6633 -11.6633 -7.4144 -7.4144 -7.3397 -7.3397 -7.3396 -7.3396 -4.9244 -4.9244 -4.4514 -4.4514 -4.2371 -4.2371 -4.2334 -4.2334 -3.9996 -3.9996 -3.7472 -3.7472 -3.5179 -3.5179 -3.2378 -3.2378 -3.2357 -3.2357 -3.2151 -3.2151 -2.9743 -2.9743 -2.9726 -2.9726 3.8538 3.8538 3.8600 3.8600 3.8701 3.8701 4.0064 4.0064 k = 0.0000 0.4483-0.0000 ( 19634 PWs) bands (ev): -43.0926 -43.0926 -17.7725 -17.7725 -17.6446 -17.6446 -17.5866 -17.5866 -17.5866 -17.5866 -11.6631 -11.6631 -7.4160 -7.4160 -7.3398 -7.3398 -7.3397 -7.3397 -4.9239 -4.9239 -4.4530 -4.4530 -4.2392 -4.2392 -4.2354 -4.2354 -3.9923 -3.9923 -3.7415 -3.7415 -3.5266 -3.5266 -3.2383 -3.2383 -3.2363 -3.2363 -3.2181 -3.2181 -2.9715 -2.9715 -2.9697 -2.9697 3.8604 3.8604 3.8662 3.8662 3.8871 3.8871 3.9925 3.9925 k = 0.0000 0.4655-0.0000 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7713 -17.7713 -17.6459 -17.6459 -17.5866 -17.5866 -17.5866 -17.5866 -11.6630 -11.6630 -7.4171 -7.4171 -7.3398 -7.3398 -7.3397 -7.3397 -4.9236 -4.9236 -4.4541 -4.4541 -4.2407 -4.2407 -4.2369 -4.2369 -3.9868 -3.9868 -3.7375 -3.7375 -3.5330 -3.5330 -3.2387 -3.2387 -3.2367 -3.2367 -3.2203 -3.2203 -2.9695 -2.9695 -2.9677 -2.9677 3.8651 3.8651 3.8706 3.8706 3.9035 3.9035 3.9785 3.9785 k = 0.0000 0.4828-0.0000 ( 19602 PWs) bands (ev): -43.0926 -43.0926 -17.7706 -17.7706 -17.6466 -17.6466 -17.5866 -17.5866 -17.5866 -17.5866 -11.6629 -11.6629 -7.4178 -7.4178 -7.3399 -7.3399 -7.3398 -7.3398 -4.9234 -4.9234 -4.4548 -4.4548 -4.2416 -4.2416 -4.2378 -4.2378 -3.9835 -3.9835 -3.7350 -3.7350 -3.5370 -3.5370 -3.2389 -3.2389 -3.2369 -3.2369 -3.2216 -3.2216 -2.9683 -2.9683 -2.9664 -2.9664 3.8680 3.8680 3.8734 3.8734 3.9180 3.9180 3.9655 3.9655 k = 0.0000 0.5000-0.0000 ( 19562 PWs) bands (ev): -43.0925 -43.0925 -17.7703 -17.7703 -17.6469 -17.6469 -17.5866 -17.5866 -17.5866 -17.5866 -11.6629 -11.6629 -7.4180 -7.4180 -7.3399 -7.3399 -7.3398 -7.3398 -4.9233 -4.9233 -4.4550 -4.4550 -4.2419 -4.2419 -4.2381 -4.2381 -3.9823 -3.9823 -3.7342 -3.7342 -3.5383 -3.5383 -3.2390 -3.2390 -3.2370 -3.2370 -3.2221 -3.2221 -2.9679 -2.9679 -2.9660 -2.9660 3.8689 3.8689 3.8743 3.8743 3.9253 3.9253 3.9588 3.9588 k = 0.0000 0.5000-0.0000 ( 19562 PWs) bands (ev): -43.0925 -43.0925 -17.7703 -17.7703 -17.6469 -17.6469 -17.5866 -17.5866 -17.5866 -17.5866 -11.6629 -11.6629 -7.4180 -7.4180 -7.3399 -7.3399 -7.3398 -7.3398 -4.9233 -4.9233 -4.4550 -4.4550 -4.2419 -4.2419 -4.2381 -4.2381 -3.9823 -3.9823 -3.7342 -3.7342 -3.5383 -3.5383 -3.2390 -3.2390 -3.2370 -3.2370 -3.2221 -3.2221 -2.9679 -2.9679 -2.9660 -2.9660 3.8689 3.8689 3.8743 3.8743 3.9253 3.9253 3.9588 3.9588 k = 0.0172 0.5000-0.0000 ( 19602 PWs) bands (ev): -43.0926 -43.0926 -17.7703 -17.7703 -17.6468 -17.6468 -17.5867 -17.5867 -17.5867 -17.5867 -11.6629 -11.6629 -7.4181 -7.4180 -7.3400 -7.3400 -7.3399 -7.3399 -4.9229 -4.9228 -4.4551 -4.4551 -4.2426 -4.2423 -4.2387 -4.2387 -3.9820 -3.9819 -3.7336 -3.7335 -3.5386 -3.5382 -3.2391 -3.2389 -3.2373 -3.2366 -3.2217 -3.2209 -2.9683 -2.9683 -2.9665 -2.9665 3.8652 3.8678 3.8712 3.8721 3.9277 3.9303 3.9623 3.9632 k = 0.0345 0.5000-0.0000 ( 19620 PWs) bands (ev): -43.0926 -43.0926 -17.7700 -17.7700 -17.6467 -17.6467 -17.5869 -17.5869 -17.5868 -17.5868 -11.6630 -11.6630 -7.4182 -7.4182 -7.3404 -7.3404 -7.3402 -7.3402 -4.9214 -4.9212 -4.4556 -4.4555 -4.2443 -4.2437 -4.2403 -4.2402 -3.9808 -3.9806 -3.7317 -3.7315 -3.5389 -3.5383 -3.2390 -3.2387 -3.2375 -3.2361 -3.2198 -3.2184 -2.9699 -2.9698 -2.9679 -2.9678 3.8583 3.8626 3.8645 3.8659 3.9365 3.9406 3.9728 3.9742 k = 0.0517 0.5000-0.0000 ( 19626 PWs) bands (ev): -43.0926 -43.0926 -17.7696 -17.7696 -17.6465 -17.6465 -17.5873 -17.5873 -17.5870 -17.5870 -11.6631 -11.6631 -7.4185 -7.4184 -7.3410 -7.3410 -7.3408 -7.3407 -4.9188 -4.9185 -4.4563 -4.4562 -4.2471 -4.2461 -4.2428 -4.2428 -3.9789 -3.9786 -3.7285 -3.7283 -3.5393 -3.5384 -3.2386 -3.2384 -3.2374 -3.2355 -3.2166 -3.2149 -2.9725 -2.9724 -2.9701 -2.9699 3.8504 3.8554 3.8564 3.8582 3.9491 3.9540 3.9881 3.9899 k = 0.0690 0.5000-0.0000 ( 19642 PWs) bands (ev): -43.0926 -43.0926 -17.7690 -17.7690 -17.6461 -17.6461 -17.5879 -17.5879 -17.5873 -17.5873 -11.6632 -11.6632 -7.4189 -7.4188 -7.3419 -7.3418 -7.3415 -7.3414 -4.9153 -4.9149 -4.4573 -4.4572 -4.2509 -4.2496 -4.2461 -4.2461 -3.9764 -3.9760 -3.7241 -3.7238 -3.5397 -3.5385 -3.2380 -3.2377 -3.2370 -3.2346 -3.2124 -3.2105 -2.9763 -2.9762 -2.9729 -2.9727 3.8427 3.8479 3.8484 3.8505 3.9638 3.9691 4.0066 4.0085 k = 0.0862 0.5000-0.0000 ( 19642 PWs) bands (ev): -43.0926 -43.0926 -17.7683 -17.7683 -17.6457 -17.6457 -17.5886 -17.5886 -17.5876 -17.5876 -11.6633 -11.6633 -7.4194 -7.4193 -7.3430 -7.3429 -7.3424 -7.3423 -4.9107 -4.9102 -4.4586 -4.4585 -4.2558 -4.2542 -4.2501 -4.2500 -3.9733 -3.9728 -3.7184 -3.7180 -3.5402 -3.5387 -3.2375 -3.2371 -3.2358 -3.2330 -3.2074 -3.2054 -2.9812 -2.9811 -2.9764 -2.9762 3.8357 3.8409 3.8411 3.8436 3.9799 3.9854 4.0274 4.0294 k = 0.1034 0.5000-0.0000 ( 19630 PWs) bands (ev): -43.0926 -43.0926 -17.7674 -17.7674 -17.6452 -17.6452 -17.5894 -17.5894 -17.5881 -17.5881 -11.6635 -11.6635 -7.4200 -7.4198 -7.3443 -7.3442 -7.3434 -7.3434 -4.9052 -4.9046 -4.4602 -4.4601 -4.2618 -4.2599 -4.2544 -4.2544 -3.9697 -3.9692 -3.7115 -3.7111 -3.5405 -3.5388 -3.2371 -3.2367 -3.2335 -3.2307 -3.2018 -3.1998 -2.9872 -2.9871 -2.9806 -2.9803 3.8298 3.8350 3.8350 3.8377 3.9969 4.0025 4.0499 4.0520 k = 0.1207 0.5000-0.0000 ( 19634 PWs) bands (ev): -43.0926 -43.0926 -17.7664 -17.7664 -17.6447 -17.6446 -17.5904 -17.5904 -17.5886 -17.5886 -11.6637 -11.6637 -7.4207 -7.4205 -7.3457 -7.3456 -7.3447 -7.3446 -4.8988 -4.8980 -4.4622 -4.4621 -4.2688 -4.2668 -4.2590 -4.2589 -3.9658 -3.9652 -3.7035 -3.7030 -3.5406 -3.5387 -3.2368 -3.2364 -3.2305 -3.2277 -3.1958 -3.1938 -2.9943 -2.9942 -2.9854 -2.9851 3.8252 3.8303 3.8304 3.8330 4.0144 4.0201 4.0738 4.0758 k = 0.1379 0.5000-0.0000 ( 19632 PWs) bands (ev): -43.0926 -43.0926 -17.7652 -17.7652 -17.6440 -17.6440 -17.5915 -17.5915 -17.5892 -17.5892 -11.6640 -11.6640 -7.4215 -7.4213 -7.3474 -7.3472 -7.3460 -7.3460 -4.8915 -4.8906 -4.4646 -4.4644 -4.2769 -4.2746 -4.2638 -4.2636 -3.9615 -3.9609 -3.6943 -3.6938 -3.5405 -3.5384 -3.2366 -3.2362 -3.2269 -3.2242 -3.1894 -3.1875 -3.0024 -3.0022 -2.9908 -2.9906 3.8220 3.8270 3.8274 3.8297 4.0322 4.0380 4.0988 4.1008 k = 0.1552 0.5000-0.0000 ( 19634 PWs) bands (ev): -43.0926 -43.0926 -17.7639 -17.7639 -17.6432 -17.6432 -17.5928 -17.5928 -17.5899 -17.5898 -11.6642 -11.6642 -7.4224 -7.4222 -7.3491 -7.3489 -7.3475 -7.3475 -4.8833 -4.8823 -4.4673 -4.4671 -4.2859 -4.2834 -4.2685 -4.2683 -3.9570 -3.9564 -3.6842 -3.6836 -3.5400 -3.5378 -3.2365 -3.2361 -3.2228 -3.2200 -3.1828 -3.1809 -3.0113 -3.0112 -2.9969 -2.9966 3.8202 3.8253 3.8260 3.8277 4.0501 4.0560 4.1247 4.1267 k = 0.1724 0.5000-0.0000 ( 19642 PWs) bands (ev): -43.0926 -43.0926 -17.7624 -17.7624 -17.6424 -17.6424 -17.5941 -17.5941 -17.5906 -17.5906 -11.6645 -11.6645 -7.4234 -7.4232 -7.3509 -7.3508 -7.3492 -7.3491 -4.8742 -4.8732 -4.4703 -4.4702 -4.2957 -4.2931 -4.2733 -4.2730 -3.9523 -3.9517 -3.6731 -3.6726 -3.5392 -3.5368 -3.2366 -3.2361 -3.2181 -3.2154 -3.1760 -3.1742 -3.0212 -3.0210 -3.0035 -3.0032 3.8198 3.8253 3.8259 3.8273 4.0679 4.0738 4.1513 4.1532 k = 0.1897 0.5000-0.0000 ( 19630 PWs) bands (ev): -43.0926 -43.0926 -17.7609 -17.7609 -17.6415 -17.6415 -17.5956 -17.5956 -17.5914 -17.5914 -11.6648 -11.6648 -7.4244 -7.4243 -7.3528 -7.3527 -7.3509 -7.3508 -4.8645 -4.8633 -4.4737 -4.4735 -4.3063 -4.3036 -4.2780 -4.2776 -3.9473 -3.9467 -3.6614 -3.6608 -3.5378 -3.5353 -3.2368 -3.2363 -3.2131 -3.2104 -3.1693 -3.1675 -3.0318 -3.0317 -3.0105 -3.0102 3.8206 3.8268 3.8270 3.8290 4.0853 4.0912 4.1783 4.1802 k = 0.2069 0.5000-0.0000 ( 19636 PWs) bands (ev): -43.0926 -43.0926 -17.7593 -17.7593 -17.6405 -17.6405 -17.5972 -17.5972 -17.5923 -17.5923 -11.6651 -11.6651 -7.4256 -7.4254 -7.3548 -7.3546 -7.3526 -7.3526 -4.8540 -4.8527 -4.4773 -4.4771 -4.3177 -4.3149 -4.2825 -4.2821 -3.9421 -3.9415 -3.6489 -3.6484 -3.5358 -3.5332 -3.2372 -3.2367 -3.2078 -3.2052 -3.1625 -3.1609 -3.0431 -3.0430 -3.0181 -3.0177 3.8227 3.8286 3.8306 3.8328 4.1022 4.1081 4.2057 4.2076 k = 0.2241 0.5000-0.0000 ( 19632 PWs) bands (ev): -43.0926 -43.0926 -17.7575 -17.7575 -17.6395 -17.6395 -17.5988 -17.5988 -17.5932 -17.5932 -11.6654 -11.6654 -7.4269 -7.4267 -7.3567 -7.3565 -7.3545 -7.3544 -4.8428 -4.8414 -4.4811 -4.4810 -4.3297 -4.3268 -4.2870 -4.2865 -3.9366 -3.9361 -3.6360 -3.6355 -3.5332 -3.5306 -3.2378 -3.2374 -3.2024 -3.1998 -3.1560 -3.1545 -3.0549 -3.0549 -3.0259 -3.0256 3.8259 3.8316 3.8360 3.8383 4.1183 4.1242 4.2332 4.2350 k = 0.2414 0.5000-0.0000 ( 19632 PWs) bands (ev): -43.0926 -43.0926 -17.7558 -17.7558 -17.6384 -17.6384 -17.6005 -17.6005 -17.5942 -17.5942 -11.6657 -11.6657 -7.4282 -7.4280 -7.3586 -7.3584 -7.3563 -7.3562 -4.8311 -4.8296 -4.4851 -4.4850 -4.3424 -4.3393 -4.2912 -4.2907 -3.9309 -3.9304 -3.6227 -3.6222 -3.5300 -3.5273 -3.2387 -3.2382 -3.1970 -3.1944 -3.1497 -3.1483 -3.0671 -3.0671 -3.0341 -3.0338 3.8302 3.8357 3.8431 3.8456 4.1335 4.1393 4.2606 4.2623 k = 0.2586 0.5000-0.0000 ( 19632 PWs) bands (ev): -43.0926 -43.0926 -17.7539 -17.7539 -17.6372 -17.6372 -17.6023 -17.6023 -17.5953 -17.5953 -11.6660 -11.6660 -7.4296 -7.4294 -7.3605 -7.3603 -7.3582 -7.3581 -4.8188 -4.8171 -4.4892 -4.4891 -4.3555 -4.3524 -4.2953 -4.2948 -3.9250 -3.9246 -3.6092 -3.6088 -3.5260 -3.5233 -3.2398 -3.2393 -3.1917 -3.1891 -3.1438 -3.1426 -3.0795 -3.0793 -3.0425 -3.0422 3.8355 3.8409 3.8519 3.8546 4.1475 4.1533 4.2876 4.2894 k = 0.2759 0.5000-0.0000 ( 19628 PWs) bands (ev): -43.0926 -43.0926 -17.7520 -17.7520 -17.6360 -17.6360 -17.6041 -17.6041 -17.5964 -17.5964 -11.6664 -11.6664 -7.4310 -7.4308 -7.3622 -7.3620 -7.3600 -7.3599 -4.8060 -4.8043 -4.4933 -4.4932 -4.3692 -4.3660 -4.2993 -4.2988 -3.9189 -3.9185 -3.5957 -3.5952 -3.5213 -3.5186 -3.2412 -3.2407 -3.1869 -3.1843 -3.1386 -3.1377 -3.0916 -3.0911 -3.0511 -3.0507 3.8418 3.8470 3.8624 3.8651 4.1603 4.1659 4.3141 4.3158 k = 0.2931 0.5000-0.0000 ( 19606 PWs) bands (ev): -43.0926 -43.0926 -17.7502 -17.7502 -17.6347 -17.6347 -17.6059 -17.6059 -17.5976 -17.5976 -11.6667 -11.6667 -7.4325 -7.4323 -7.3639 -7.3637 -7.3618 -7.3617 -4.7928 -4.7909 -4.4974 -4.4973 -4.3832 -4.3799 -4.3031 -4.3026 -3.9127 -3.9123 -3.5822 -3.5818 -3.5158 -3.5132 -3.2428 -3.2423 -3.1829 -3.1803 -3.1348 -3.1344 -3.1022 -3.1013 -3.0597 -3.0593 3.8489 3.8539 3.8744 3.8771 4.1716 4.1772 4.3393 4.3411 k = 0.3103 0.5000-0.0000 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7483 -17.7483 -17.6334 -17.6334 -17.6077 -17.6077 -17.5989 -17.5988 -11.6670 -11.6670 -7.4339 -7.4337 -7.3655 -7.3653 -7.3635 -7.3635 -4.7792 -4.7773 -4.5014 -4.5013 -4.3975 -4.3943 -4.3067 -4.3062 -3.9064 -3.9061 -3.5690 -3.5686 -3.5097 -3.5071 -3.2446 -3.2441 -3.1805 -3.1779 -3.1341 -3.1339 -3.1091 -3.1077 -3.0682 -3.0678 3.8567 3.8616 3.8878 3.8906 4.1815 4.1869 4.3621 4.3641 k = 0.3276 0.5000-0.0000 ( 19628 PWs) bands (ev): -43.0926 -43.0926 -17.7464 -17.7464 -17.6320 -17.6320 -17.6095 -17.6095 -17.6001 -17.6001 -11.6673 -11.6673 -7.4353 -7.4352 -7.3670 -7.3668 -7.3652 -7.3651 -4.7654 -4.7633 -4.5052 -4.5051 -4.4121 -4.4088 -4.3101 -4.3096 -3.9002 -3.8999 -3.5561 -3.5558 -3.5028 -3.5004 -3.2466 -3.2461 -3.1809 -3.1784 -3.1369 -3.1364 -3.1106 -3.1089 -3.0766 -3.0762 3.8651 3.8697 3.9025 3.9053 4.1898 4.1950 4.3732 4.3760 k = 0.3448 0.5000-0.0000 ( 19618 PWs) bands (ev): -43.0926 -43.0926 -17.7446 -17.7446 -17.6306 -17.6306 -17.6112 -17.6112 -17.6014 -17.6014 -11.6675 -11.6675 -7.4367 -7.4366 -7.3683 -7.3682 -7.3667 -7.3667 -4.7513 -4.7492 -4.5089 -4.5087 -4.4268 -4.4235 -4.3132 -4.3128 -3.8940 -3.8938 -3.5438 -3.5435 -3.4953 -3.4930 -3.2487 -3.2482 -3.1854 -3.1830 -3.1395 -3.1389 -3.1086 -3.1071 -3.0847 -3.0843 3.8738 3.8782 3.9184 3.9212 4.1967 4.2016 4.3611 4.3639 k = 0.3621 0.5000-0.0000 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7429 -17.7429 -17.6292 -17.6292 -17.6128 -17.6128 -17.6028 -17.6028 -11.6678 -11.6678 -7.4380 -7.4379 -7.3695 -7.3694 -7.3682 -7.3681 -4.7372 -4.7350 -4.5122 -4.5121 -4.4415 -4.4383 -4.3162 -4.3158 -3.8880 -3.8878 -3.5322 -3.5319 -3.4874 -3.4852 -3.2509 -3.2504 -3.1938 -3.1917 -3.1398 -3.1392 -3.1056 -3.1043 -3.0924 -3.0919 3.8827 3.8868 3.9353 3.9381 4.2020 4.2066 4.3421 4.3447 k = 0.3793 0.5000-0.0000 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7414 -17.7414 -17.6278 -17.6278 -17.6144 -17.6144 -17.6041 -17.6041 -11.6680 -11.6680 -7.4393 -7.4391 -7.3706 -7.3705 -7.3695 -7.3695 -4.7231 -4.7209 -4.5153 -4.5152 -4.4561 -4.4530 -4.3189 -4.3185 -3.8824 -3.8823 -3.5214 -3.5212 -3.4790 -3.4770 -3.2532 -3.2526 -3.2046 -3.2027 -3.1384 -3.1377 -3.1029 -3.1025 -3.0991 -3.0980 3.8916 3.8954 3.9530 3.9558 4.2060 4.2103 4.3216 4.3242 k = 0.3966 0.5000-0.0000 ( 19618 PWs) bands (ev): -43.0926 -43.0926 -17.7399 -17.7399 -17.6264 -17.6263 -17.6158 -17.6158 -17.6055 -17.6055 -11.6682 -11.6682 -7.4404 -7.4403 -7.3715 -7.3714 -7.3707 -7.3706 -4.7092 -4.7069 -4.5181 -4.5179 -4.4704 -4.4674 -4.3213 -4.3209 -3.8772 -3.8771 -3.5115 -3.5114 -3.4705 -3.4686 -3.2553 -3.2548 -3.2164 -3.2147 -3.1363 -3.1356 -3.1069 -3.1069 -3.0988 -3.0975 3.9001 3.9035 3.9713 3.9739 4.2088 4.2126 4.3008 4.3034 k = 0.4138 0.5000-0.0000 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7386 -17.7386 -17.6249 -17.6249 -17.6170 -17.6170 -17.6069 -17.6069 -11.6684 -11.6684 -7.4413 -7.4412 -7.3723 -7.3722 -7.3717 -7.3716 -4.6957 -4.6935 -4.5205 -4.5203 -4.4842 -4.4814 -4.3233 -4.3231 -3.8726 -3.8725 -3.5029 -3.5028 -3.4621 -3.4604 -3.2573 -3.2568 -3.2281 -3.2265 -3.1339 -3.1333 -3.1127 -3.1126 -3.0963 -3.0952 3.9080 3.9110 3.9897 3.9922 4.2106 4.2139 4.2802 4.2827 k = 0.4310 0.5000-0.0000 ( 19586 PWs) bands (ev): -43.0926 -43.0926 -17.7375 -17.7375 -17.6236 -17.6235 -17.6181 -17.6181 -17.6082 -17.6082 -11.6686 -11.6686 -7.4422 -7.4421 -7.3729 -7.3729 -7.3725 -7.3725 -4.6829 -4.6808 -4.5225 -4.5223 -4.4970 -4.4946 -4.3250 -4.3248 -3.8686 -3.8686 -3.4956 -3.4955 -3.4540 -3.4526 -3.2592 -3.2587 -3.2390 -3.2375 -3.1318 -3.1312 -3.1177 -3.1177 -3.0940 -3.0932 3.9151 3.9176 4.0077 4.0101 4.2117 4.2144 4.2604 4.2628 k = 0.4483 0.5000-0.0000 ( 19598 PWs) bands (ev): -43.0926 -43.0926 -17.7366 -17.7366 -17.6223 -17.6223 -17.6189 -17.6189 -17.6094 -17.6094 -11.6687 -11.6687 -7.4428 -7.4428 -7.3734 -7.3734 -7.3732 -7.3731 -4.6714 -4.6696 -4.5242 -4.5239 -4.5083 -4.5063 -4.3264 -4.3262 -3.8654 -3.8654 -3.4897 -3.4896 -3.4469 -3.4457 -3.2609 -3.2603 -3.2483 -3.2470 -3.1299 -3.1295 -3.1218 -3.1217 -3.0922 -3.0916 3.9211 3.9230 4.0246 4.0267 4.2121 4.2143 4.2424 4.2445 k = 0.4655 0.5000-0.0000 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7360 -17.7360 -17.6212 -17.6211 -17.6195 -17.6195 -17.6105 -17.6105 -11.6688 -11.6688 -7.4433 -7.4433 -7.3738 -7.3738 -7.3736 -7.3736 -4.6619 -4.6605 -4.5256 -4.5252 -4.5172 -4.5160 -4.3274 -4.3273 -3.8631 -3.8631 -3.4854 -3.4853 -3.4411 -3.4403 -3.2624 -3.2619 -3.2552 -3.2541 -3.1285 -3.1283 -3.1248 -3.1248 -3.0908 -3.0904 3.9257 3.9270 4.0391 4.0407 4.2122 4.2136 4.2276 4.2293 k = 0.4828 0.5000-0.0000 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7356 -17.7356 -17.6204 -17.6204 -17.6199 -17.6199 -17.6113 -17.6113 -11.6688 -11.6688 -7.4436 -7.4436 -7.3740 -7.3740 -7.3739 -7.3739 -4.6553 -4.6545 -4.5272 -4.5265 -4.5223 -4.5220 -4.3280 -4.3279 -3.8617 -3.8616 -3.4827 -3.4827 -3.4372 -3.4368 -3.2640 -3.2637 -3.2588 -3.2582 -3.1276 -3.1276 -3.1266 -3.1265 -3.0900 -3.0898 3.9286 3.9293 4.0494 4.0503 4.2113 4.2120 4.2185 4.2194 k = 0.5000 0.5000-0.0000 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7355 -17.7355 -17.6201 -17.6201 -17.6200 -17.6200 -17.6116 -17.6116 -11.6688 -11.6688 -7.4437 -7.4437 -7.3741 -7.3741 -7.3740 -7.3740 -4.6526 -4.6526 -4.5279 -4.5279 -4.5237 -4.5237 -4.3281 -4.3281 -3.8612 -3.8612 -3.4818 -3.4818 -3.4357 -3.4357 -3.2647 -3.2647 -3.2595 -3.2595 -3.1275 -3.1275 -3.1270 -3.1270 -3.0896 -3.0896 3.9299 3.9299 4.0535 4.0535 4.2102 4.2102 4.2165 4.2165 k = 0.5000 0.5000-0.0000 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7355 -17.7355 -17.6201 -17.6201 -17.6200 -17.6200 -17.6116 -17.6116 -11.6688 -11.6688 -7.4437 -7.4437 -7.3741 -7.3741 -7.3740 -7.3740 -4.6526 -4.6526 -4.5279 -4.5279 -4.5237 -4.5237 -4.3281 -4.3281 -3.8612 -3.8612 -3.4818 -3.4818 -3.4357 -3.4357 -3.2647 -3.2647 -3.2595 -3.2595 -3.1275 -3.1275 -3.1270 -3.1270 -3.0896 -3.0896 3.9299 3.9299 4.0535 4.0535 4.2102 4.2102 4.2165 4.2165 k = 0.4878 0.4878-0.0000 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7356 -17.7356 -17.6203 -17.6203 -17.6200 -17.6200 -17.6113 -17.6113 -11.6688 -11.6688 -7.4436 -7.4436 -7.3741 -7.3740 -7.3739 -7.3739 -4.6553 -4.6545 -4.5272 -4.5265 -4.5223 -4.5221 -4.3280 -4.3279 -3.8617 -3.8616 -3.4827 -3.4827 -3.4372 -3.4368 -3.2640 -3.2638 -3.2587 -3.2582 -3.1274 -3.1272 -3.1270 -3.1267 -3.0900 -3.0898 3.9286 3.9293 4.0494 4.0504 4.2112 4.2118 4.2187 4.2195 k = 0.4756 0.4756-0.0000 ( 19602 PWs) bands (ev): -43.0926 -43.0926 -17.7360 -17.7360 -17.6209 -17.6208 -17.6199 -17.6199 -17.6105 -17.6105 -11.6688 -11.6688 -7.4433 -7.4433 -7.3739 -7.3738 -7.3736 -7.3736 -4.6619 -4.6604 -4.5256 -4.5252 -4.5171 -4.5160 -4.3274 -4.3273 -3.8631 -3.8631 -3.4854 -3.4853 -3.4410 -3.4402 -3.2627 -3.2625 -3.2548 -3.2537 -3.1270 -3.1267 -3.1266 -3.1260 -3.0908 -3.0904 3.9255 3.9269 4.0392 4.0410 4.2117 4.2121 4.2289 4.2297 k = 0.4634 0.4634-0.0000 ( 19602 PWs) bands (ev): -43.0926 -43.0926 -17.7367 -17.7367 -17.6216 -17.6216 -17.6196 -17.6196 -17.6094 -17.6094 -11.6687 -11.6687 -7.4428 -7.4427 -7.3736 -7.3735 -7.3731 -7.3730 -4.6714 -4.6695 -4.5242 -4.5240 -4.5082 -4.5064 -4.3264 -4.3262 -3.8655 -3.8655 -3.4897 -3.4897 -3.4465 -3.4454 -3.2619 -3.2616 -3.2474 -3.2458 -3.1264 -3.1260 -3.1257 -3.1250 -3.0922 -3.0915 3.9205 3.9226 4.0252 4.0278 4.2109 4.2111 4.2448 4.2455 k = 0.4512 0.4512-0.0000 ( 19590 PWs) bands (ev): -43.0926 -43.0926 -17.7376 -17.7376 -17.6224 -17.6224 -17.6193 -17.6193 -17.6081 -17.6080 -11.6686 -11.6686 -7.4421 -7.4420 -7.3731 -7.3731 -7.3723 -7.3723 -4.6828 -4.6807 -4.5225 -4.5224 -4.4969 -4.4947 -4.3250 -4.3248 -3.8689 -3.8689 -3.4957 -3.4956 -3.4530 -3.4517 -3.2613 -3.2608 -3.2376 -3.2356 -3.1255 -3.1250 -3.1245 -3.1237 -3.0940 -3.0930 3.9133 3.9161 4.0096 4.0129 4.2095 4.2095 4.2638 4.2643 k = 0.4390 0.4390-0.0000 ( 19594 PWs) bands (ev): -43.0926 -43.0926 -17.7388 -17.7388 -17.6231 -17.6231 -17.6189 -17.6189 -17.6066 -17.6066 -11.6684 -11.6684 -7.4412 -7.4411 -7.3726 -7.3726 -7.3714 -7.3713 -4.6954 -4.6932 -4.5205 -4.5204 -4.4841 -4.4816 -4.3233 -4.3230 -3.8733 -3.8732 -3.5033 -3.5032 -3.4598 -3.4584 -3.2606 -3.2600 -3.2260 -3.2239 -3.1246 -3.1237 -3.1231 -3.1221 -3.0962 -3.0948 3.9039 3.9073 3.9938 3.9977 4.2073 4.2074 4.2842 4.2846 k = 0.4268 0.4268-0.0000 ( 19598 PWs) bands (ev): -43.0926 -43.0926 -17.7402 -17.7402 -17.6238 -17.6237 -17.6184 -17.6184 -17.6052 -17.6052 -11.6682 -11.6682 -7.4401 -7.4400 -7.3720 -7.3720 -7.3703 -7.3702 -4.7087 -4.7064 -4.5181 -4.5180 -4.4705 -4.4679 -4.3211 -4.3208 -3.8786 -3.8785 -3.5124 -3.5122 -3.4664 -3.4650 -3.2599 -3.2591 -3.2135 -3.2111 -3.1237 -3.1221 -3.1216 -3.1204 -3.0986 -3.0968 3.8923 3.8961 3.9788 3.9832 4.2046 4.2047 4.3049 4.3052 k = 0.4146 0.4146-0.0000 ( 19602 PWs) bands (ev): -43.0926 -43.0926 -17.7419 -17.7419 -17.6242 -17.6242 -17.6178 -17.6178 -17.6037 -17.6037 -11.6681 -11.6681 -7.4387 -7.4386 -7.3713 -7.3713 -7.3690 -7.3689 -4.7223 -4.7201 -4.5153 -4.5151 -4.4564 -4.4537 -4.3187 -4.3183 -3.8848 -3.8847 -3.5229 -3.5226 -3.4723 -3.4708 -3.2591 -3.2583 -3.2004 -3.1979 -3.1231 -3.1203 -3.1203 -3.1186 -3.1011 -3.0988 3.8787 3.8827 3.9650 3.9695 4.2011 4.2013 4.3254 4.3256 k = 0.4024 0.4024-0.0000 ( 19594 PWs) bands (ev): -43.0926 -43.0926 -17.7439 -17.7439 -17.6245 -17.6245 -17.6171 -17.6171 -17.6022 -17.6022 -11.6679 -11.6679 -7.4372 -7.4370 -7.3705 -7.3705 -7.3676 -7.3675 -4.7361 -4.7339 -4.5121 -4.5118 -4.4421 -4.4394 -4.3159 -4.3155 -3.8919 -3.8918 -3.5347 -3.5344 -3.4772 -3.4757 -3.2583 -3.2574 -3.1871 -3.1845 -3.1231 -3.1196 -3.1184 -3.1166 -3.1032 -3.1004 3.8634 3.8675 3.9522 3.9568 4.1969 4.1972 4.3449 4.3450 k = 0.3902 0.3902-0.0000 ( 19592 PWs) bands (ev): -43.0926 -43.0926 -17.7461 -17.7461 -17.6246 -17.6246 -17.6164 -17.6164 -17.6008 -17.6008 -11.6676 -11.6676 -7.4354 -7.4352 -7.3696 -7.3695 -7.3661 -7.3660 -4.7498 -4.7477 -4.5084 -4.5081 -4.4278 -4.4251 -4.3127 -4.3123 -3.8998 -3.8997 -3.5477 -3.5473 -3.4808 -3.4793 -3.2574 -3.2564 -3.1740 -3.1713 -3.1240 -3.1201 -3.1163 -3.1145 -3.1045 -3.1014 3.8471 3.8511 3.9404 3.9448 4.1918 4.1921 4.3630 4.3631 k = 0.3780 0.3780-0.0000 ( 19602 PWs) bands (ev): -43.0926 -43.0926 -17.7485 -17.7485 -17.6245 -17.6245 -17.6155 -17.6155 -17.5995 -17.5995 -11.6674 -11.6674 -7.4334 -7.4332 -7.3686 -7.3686 -7.3645 -7.3644 -4.7634 -4.7613 -4.5044 -4.5040 -4.4137 -4.4110 -4.3093 -4.3089 -3.9084 -3.9083 -3.5618 -3.5613 -3.4829 -3.4814 -3.2566 -3.2555 -3.1612 -3.1584 -3.1260 -3.1222 -3.1142 -3.1123 -3.1044 -3.1016 3.8301 3.8339 3.9290 3.9331 4.1856 4.1858 4.3793 4.3794 k = 0.3659 0.3659-0.0000 ( 19582 PWs) bands (ev): -43.0926 -43.0926 -17.7511 -17.7511 -17.6242 -17.6242 -17.6146 -17.6146 -17.5982 -17.5982 -11.6672 -11.6672 -7.4311 -7.4309 -7.3675 -7.3675 -7.3628 -7.3627 -4.7767 -4.7747 -4.4998 -4.4994 -4.3997 -4.3972 -4.3056 -4.3052 -3.9177 -3.9175 -3.5770 -3.5764 -3.4834 -3.4821 -3.2557 -3.2546 -3.1489 -3.1461 -3.1290 -3.1256 -3.1121 -3.1101 -3.1034 -3.1011 3.8130 3.8165 3.9177 3.9217 4.1780 4.1782 4.3700 4.3705 k = 0.3537 0.3537-0.0000 ( 19598 PWs) bands (ev): -43.0926 -43.0926 -17.7540 -17.7540 -17.6238 -17.6237 -17.6137 -17.6137 -17.5970 -17.5969 -11.6670 -11.6670 -7.4286 -7.4284 -7.3664 -7.3663 -7.3610 -7.3609 -4.7897 -4.7878 -4.4949 -4.4944 -4.3861 -4.3837 -4.3016 -4.3012 -3.9274 -3.9272 -3.5930 -3.5924 -3.4824 -3.4811 -3.2547 -3.2536 -3.1376 -3.1345 -3.1328 -3.1296 -3.1100 -3.1079 -3.1019 -3.1000 3.7959 3.7992 3.9065 3.9102 4.1686 4.1688 4.3468 4.3473 k = 0.3415 0.3415-0.0000 ( 19592 PWs) bands (ev): -43.0926 -43.0926 -17.7570 -17.7570 -17.6231 -17.6231 -17.6127 -17.6127 -17.5958 -17.5958 -11.6668 -11.6668 -7.4259 -7.4257 -7.3652 -7.3651 -7.3592 -7.3591 -4.8024 -4.8006 -4.4895 -4.4890 -4.3729 -4.3708 -4.2973 -4.2970 -3.9376 -3.9373 -3.6100 -3.6092 -3.4798 -3.4786 -3.2538 -3.2527 -3.1373 -3.1353 -3.1257 -3.1235 -3.1079 -3.1058 -3.1002 -3.0987 3.7792 3.7822 3.8951 3.8985 4.1570 4.1572 4.3242 4.3245 k = 0.3293 0.3293-0.0000 ( 19586 PWs) bands (ev): -43.0926 -43.0926 -17.7601 -17.7601 -17.6222 -17.6222 -17.6116 -17.6116 -17.5947 -17.5947 -11.6666 -11.6666 -7.4229 -7.4227 -7.3639 -7.3638 -7.3575 -7.3574 -4.8146 -4.8130 -4.4837 -4.4832 -4.3602 -4.3584 -4.2926 -4.2925 -3.9480 -3.9477 -3.6276 -3.6269 -3.4756 -3.4745 -3.2529 -3.2517 -3.1421 -3.1401 -3.1159 -3.1135 -3.1060 -3.1038 -3.0984 -3.0973 3.7630 3.7658 3.8834 3.8867 4.1428 4.1428 4.3029 4.3031 k = 0.3171 0.3171-0.0000 ( 19588 PWs) bands (ev): -43.0926 -43.0926 -17.7634 -17.7634 -17.6212 -17.6212 -17.6105 -17.6105 -17.5938 -17.5937 -11.6665 -11.6665 -7.4198 -7.4196 -7.3626 -7.3625 -7.3557 -7.3556 -4.8265 -4.8249 -4.4775 -4.4769 -4.3481 -4.3467 -4.2877 -4.2875 -3.9584 -3.9581 -3.6460 -3.6452 -3.4699 -3.4689 -3.2520 -3.2508 -3.1472 -3.1454 -3.1069 -3.1055 -3.1032 -3.1020 -3.0967 -3.0958 3.7474 3.7501 3.8715 3.8745 4.1254 4.1256 4.2836 4.2836 k = 0.3049 0.3049-0.0000 ( 19592 PWs) bands (ev): -43.0926 -43.0926 -17.7669 -17.7668 -17.6200 -17.6200 -17.6094 -17.6094 -17.5929 -17.5928 -11.6663 -11.6663 -7.4164 -7.4162 -7.3612 -7.3612 -7.3540 -7.3539 -4.8378 -4.8364 -4.4709 -4.4703 -4.3367 -4.3359 -4.2824 -4.2819 -3.9689 -3.9685 -3.6650 -3.6641 -3.4628 -3.4619 -3.2510 -3.2499 -3.1524 -3.1507 -3.1031 -3.1006 -3.0986 -3.0966 -3.0951 -3.0938 3.7326 3.7351 3.8592 3.8621 4.1049 4.1052 4.2663 4.2666 k = 0.2927 0.2927-0.0000 ( 19600 PWs) bands (ev): -43.0926 -43.0926 -17.7703 -17.7703 -17.6187 -17.6187 -17.6082 -17.6082 -17.5920 -17.5920 -11.6662 -11.6662 -7.4128 -7.4126 -7.3598 -7.3598 -7.3523 -7.3522 -4.8488 -4.8475 -4.4639 -4.4632 -4.3262 -4.3260 -4.2767 -4.2758 -3.9792 -3.9788 -3.6845 -3.6836 -3.4545 -3.4537 -3.2501 -3.2489 -3.1577 -3.1562 -3.1017 -3.0991 -3.0943 -3.0938 -3.0909 -3.0882 3.7186 3.7209 3.8467 3.8495 4.0814 4.0818 4.2515 4.2518 k = 0.2805 0.2805-0.0000 ( 19596 PWs) bands (ev): -43.0926 -43.0926 -17.7739 -17.7739 -17.6172 -17.6172 -17.6070 -17.6070 -17.5913 -17.5913 -11.6662 -11.6662 -7.4091 -7.4089 -7.3584 -7.3583 -7.3506 -7.3505 -4.8592 -4.8580 -4.4564 -4.4557 -4.3171 -4.3166 -4.2703 -4.2689 -3.9893 -3.9888 -3.7045 -3.7035 -3.4450 -3.4443 -3.2491 -3.2480 -3.1631 -3.1617 -3.1006 -3.0980 -3.0930 -3.0927 -3.0849 -3.0821 3.7054 3.7075 3.8340 3.8366 4.0555 4.0559 4.2387 4.2392 k = 0.2683 0.2683-0.0000 ( 19586 PWs) bands (ev): -43.0926 -43.0926 -17.7775 -17.7775 -17.6157 -17.6156 -17.6057 -17.6057 -17.5906 -17.5906 -11.6661 -11.6661 -7.4051 -7.4049 -7.3570 -7.3569 -7.3491 -7.3490 -4.8691 -4.8681 -4.4486 -4.4478 -4.3094 -4.3082 -4.2633 -4.2613 -3.9990 -3.9985 -3.7249 -3.7239 -3.4345 -3.4339 -3.2482 -3.2470 -3.1684 -3.1671 -3.0998 -3.0971 -3.0920 -3.0918 -3.0796 -3.0770 3.6931 3.6951 3.8209 3.8234 4.0277 4.0282 4.2276 4.2282 k = 0.2561 0.2561-0.0000 ( 19590 PWs) bands (ev): -43.0926 -43.0926 -17.7811 -17.7811 -17.6140 -17.6140 -17.6045 -17.6045 -17.5901 -17.5901 -11.6662 -11.6662 -7.4011 -7.4009 -7.3555 -7.3555 -7.3476 -7.3475 -4.8786 -4.8776 -4.4403 -4.4395 -4.3027 -4.3008 -4.2555 -4.2530 -4.0084 -4.0077 -3.7455 -3.7445 -3.4232 -3.4227 -3.2472 -3.2461 -3.1737 -3.1724 -3.0993 -3.0965 -3.0913 -3.0912 -3.0754 -3.0728 3.6816 3.6835 3.8077 3.8101 3.9988 3.9993 4.2178 4.2185 k = 0.2439 0.2439-0.0000 ( 19600 PWs) bands (ev): -43.0926 -43.0926 -17.7847 -17.7847 -17.6123 -17.6123 -17.6032 -17.6032 -17.5896 -17.5896 -11.6662 -11.6662 -7.3969 -7.3967 -7.3541 -7.3540 -7.3462 -7.3461 -4.8876 -4.8867 -4.4316 -4.4308 -4.2968 -4.2945 -4.2470 -4.2443 -4.0173 -4.0166 -3.7665 -3.7654 -3.4111 -3.4108 -3.2463 -3.2452 -3.1788 -3.1777 -3.0989 -3.0962 -3.0908 -3.0907 -3.0721 -3.0696 3.6711 3.6729 3.7944 3.7966 3.9691 3.9697 4.2090 4.2097 k = 0.2317 0.2317-0.0000 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7883 -17.7883 -17.6105 -17.6105 -17.6020 -17.6020 -17.5891 -17.5891 -11.6663 -11.6663 -7.3927 -7.3925 -7.3526 -7.3526 -7.3449 -7.3448 -4.8961 -4.8953 -4.4226 -4.4217 -4.2917 -4.2889 -4.2381 -4.2352 -4.0258 -4.0250 -3.7876 -3.7865 -3.3985 -3.3983 -3.2453 -3.2442 -3.1839 -3.1828 -3.0989 -3.0961 -3.0906 -3.0905 -3.0697 -3.0673 3.6615 3.6631 3.7809 3.7830 3.9393 3.9399 4.2010 4.2017 k = 0.2195 0.2195-0.0000 ( 19608 PWs) bands (ev): -43.0926 -43.0926 -17.7918 -17.7918 -17.6087 -17.6087 -17.6008 -17.6008 -17.5888 -17.5888 -11.6664 -11.6664 -7.3884 -7.3882 -7.3512 -7.3512 -7.3438 -7.3437 -4.9041 -4.9034 -4.4132 -4.4122 -4.2871 -4.2840 -4.2290 -4.2259 -4.0338 -4.0329 -3.8088 -3.8076 -3.3856 -3.3854 -3.2444 -3.2433 -3.1887 -3.1878 -3.0990 -3.0963 -3.0905 -3.0905 -3.0683 -3.0659 3.6527 3.6543 3.7673 3.7693 3.9097 3.9102 4.1935 4.1942 k = 0.2073 0.2073-0.0000 ( 19606 PWs) bands (ev): -43.0926 -43.0926 -17.7953 -17.7953 -17.6069 -17.6069 -17.5996 -17.5996 -17.5884 -17.5884 -11.6666 -11.6666 -7.3840 -7.3839 -7.3498 -7.3498 -7.3427 -7.3426 -4.9116 -4.9111 -4.4033 -4.4023 -4.2828 -4.2795 -4.2197 -4.2165 -4.0413 -4.0404 -3.8301 -3.8289 -3.3723 -3.3722 -3.2435 -3.2424 -3.1934 -3.1925 -3.0994 -3.0966 -3.0907 -3.0906 -3.0676 -3.0653 3.6449 3.6463 3.7538 3.7557 3.8805 3.8810 4.1864 4.1872 k = 0.1951 0.1951-0.0000 ( 19606 PWs) bands (ev): -43.0926 -43.0926 -17.7986 -17.7986 -17.6051 -17.6051 -17.5984 -17.5984 -17.5882 -17.5882 -11.6667 -11.6667 -7.3797 -7.3795 -7.3485 -7.3484 -7.3417 -7.3416 -4.9187 -4.9183 -4.3932 -4.3921 -4.2787 -4.2753 -4.2104 -4.2073 -4.0484 -4.0475 -3.8513 -3.8501 -3.3591 -3.3590 -3.2426 -3.2416 -3.1979 -3.1971 -3.0999 -3.0972 -3.0910 -3.0910 -3.0677 -3.0655 3.6379 3.6392 3.7403 3.7421 3.8520 3.8525 4.1798 4.1805 k = 0.1829 0.1829-0.0000 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.8019 -17.8019 -17.6033 -17.6033 -17.5972 -17.5972 -17.5880 -17.5880 -11.6670 -11.6670 -7.3754 -7.3752 -7.3472 -7.3471 -7.3408 -7.3407 -4.9254 -4.9250 -4.3826 -4.3816 -4.2747 -4.2713 -4.2012 -4.1981 -4.0551 -4.0541 -3.8725 -3.8712 -3.3459 -3.3459 -3.2417 -3.2407 -3.2022 -3.2014 -3.1005 -3.0978 -3.0915 -3.0914 -3.0685 -3.0664 3.6317 3.6329 3.7269 3.7286 3.8245 3.8249 4.1735 4.1742 k = 0.1707 0.1707-0.0000 ( 19616 PWs) bands (ev): -43.0926 -43.0926 -17.8050 -17.8050 -17.6016 -17.6016 -17.5961 -17.5961 -17.5878 -17.5878 -11.6672 -11.6672 -7.3711 -7.3710 -7.3459 -7.3458 -7.3401 -7.3400 -4.9316 -4.9313 -4.3717 -4.3706 -4.2707 -4.2673 -4.1922 -4.1893 -4.0614 -4.0605 -3.8935 -3.8922 -3.3330 -3.3329 -3.2408 -3.2399 -3.2062 -3.2054 -3.1012 -3.0985 -3.0921 -3.0921 -3.0699 -3.0679 3.6262 3.6274 3.7137 3.7153 3.7980 3.7985 4.1675 4.1681 k = 0.1585 0.1585-0.0000 ( 19627 PWs) bands (ev): -43.0926 -43.0926 -17.8080 -17.8080 -17.5999 -17.5999 -17.5950 -17.5950 -17.5877 -17.5877 -11.6675 -11.6675 -7.3670 -7.3669 -7.3447 -7.3446 -7.3394 -7.3393 -4.9374 -4.9371 -4.3605 -4.3594 -4.2666 -4.2633 -4.1835 -4.1807 -4.0675 -4.0665 -3.9144 -3.9131 -3.3205 -3.3203 -3.2400 -3.2391 -3.2100 -3.2093 -3.1019 -3.0993 -3.0929 -3.0928 -3.0718 -3.0699 3.6216 3.6227 3.7009 3.7023 3.7729 3.7733 4.1618 4.1624 k = 0.1463 0.1463-0.0000 ( 19631 PWs) bands (ev): -43.0926 -43.0926 -17.8108 -17.8108 -17.5982 -17.5982 -17.5940 -17.5940 -17.5876 -17.5876 -11.6677 -11.6677 -7.3630 -7.3629 -7.3435 -7.3435 -7.3388 -7.3387 -4.9427 -4.9425 -4.3490 -4.3478 -4.2625 -4.2592 -4.1751 -4.1724 -4.0732 -4.0722 -3.9350 -3.9337 -3.3085 -3.3082 -3.2392 -3.2384 -3.2134 -3.2128 -3.1026 -3.1001 -3.0937 -3.0936 -3.0741 -3.0724 3.6176 3.6186 3.6884 3.6897 3.7491 3.7495 4.1564 4.1570 k = 0.1341 0.1341-0.0000 ( 19637 PWs) bands (ev): -43.0926 -43.0926 -17.8134 -17.8134 -17.5967 -17.5967 -17.5930 -17.5930 -17.5875 -17.5875 -11.6680 -11.6680 -7.3592 -7.3590 -7.3425 -7.3424 -7.3383 -7.3382 -4.9476 -4.9475 -4.3371 -4.3359 -4.2582 -4.2549 -4.1671 -4.1646 -4.0788 -4.0778 -3.9553 -3.9540 -3.2971 -3.2968 -3.2385 -3.2377 -3.2166 -3.2161 -3.1032 -3.1008 -3.0945 -3.0945 -3.0768 -3.0752 3.6142 3.6152 3.6763 3.6776 3.7269 3.7272 4.1513 4.1519 k = 0.1220 0.1220-0.0000 ( 19633 PWs) bands (ev): -43.0926 -43.0926 -17.8159 -17.8159 -17.5952 -17.5952 -17.5921 -17.5921 -17.5875 -17.5875 -11.6683 -11.6683 -7.3555 -7.3554 -7.3414 -7.3414 -7.3379 -7.3378 -4.9522 -4.9520 -4.3250 -4.3238 -4.2538 -4.2506 -4.1596 -4.1573 -4.0842 -4.0832 -3.9753 -3.9739 -3.2865 -3.2862 -3.2378 -3.2371 -3.2196 -3.2190 -3.1038 -3.1014 -3.0954 -3.0954 -3.0798 -3.0782 3.6114 3.6123 3.6649 3.6660 3.7063 3.7066 4.1466 4.1471 k = 0.1098 0.1098-0.0000 ( 19633 PWs) bands (ev): -43.0926 -43.0926 -17.8182 -17.8182 -17.5938 -17.5938 -17.5913 -17.5913 -17.5875 -17.5875 -11.6686 -11.6686 -7.3521 -7.3520 -7.3405 -7.3405 -7.3375 -7.3375 -4.9563 -4.9562 -4.3126 -4.3114 -4.2492 -4.2462 -4.1526 -4.1504 -4.0894 -4.0884 -3.9948 -3.9934 -3.2767 -3.2764 -3.2372 -3.2366 -3.2222 -3.2217 -3.1041 -3.1019 -3.0963 -3.0963 -3.0828 -3.0815 3.6092 3.6099 3.6541 3.6552 3.6874 3.6877 4.1422 4.1427 k = 0.0976 0.0976-0.0000 ( 19645 PWs) bands (ev): -43.0926 -43.0926 -17.8202 -17.8202 -17.5926 -17.5926 -17.5905 -17.5905 -17.5875 -17.5875 -11.6688 -11.6688 -7.3490 -7.3489 -7.3397 -7.3396 -7.3372 -7.3372 -4.9599 -4.9599 -4.3000 -4.2987 -4.2445 -4.2417 -4.1461 -4.1442 -4.0945 -4.0935 -4.0139 -4.0125 -3.2679 -3.2676 -3.2366 -3.2361 -3.2245 -3.2241 -3.1043 -3.1023 -3.0972 -3.0971 -3.0859 -3.0847 3.6073 3.6080 3.6442 3.6451 3.6704 3.6706 4.1383 4.1387 k = 0.0854 0.0854-0.0000 ( 19653 PWs) bands (ev): -43.0926 -43.0926 -17.8221 -17.8221 -17.5914 -17.5914 -17.5899 -17.5899 -17.5875 -17.5875 -11.6691 -11.6691 -7.3462 -7.3461 -7.3389 -7.3389 -7.3370 -7.3369 -4.9632 -4.9632 -4.2872 -4.2860 -4.2399 -4.2373 -4.1403 -4.1385 -4.0993 -4.0984 -4.0324 -4.0310 -3.2602 -3.2599 -3.2361 -3.2357 -3.2264 -3.2261 -3.1044 -3.1026 -3.0980 -3.0979 -3.0889 -3.0879 3.6058 3.6065 3.6351 3.6359 3.6553 3.6555 4.1347 4.1351 k = 0.0732 0.0732-0.0000 ( 19643 PWs) bands (ev): -43.0926 -43.0926 -17.8237 -17.8237 -17.5904 -17.5904 -17.5893 -17.5893 -17.5875 -17.5875 -11.6693 -11.6693 -7.3437 -7.3436 -7.3383 -7.3382 -7.3368 -7.3368 -4.9660 -4.9660 -4.2744 -4.2732 -4.2352 -4.2329 -4.1351 -4.1336 -4.1039 -4.1030 -4.0502 -4.0488 -3.2535 -3.2533 -3.2357 -3.2353 -3.2281 -3.2279 -3.1043 -3.1028 -3.0987 -3.0986 -3.0917 -3.0909 3.6046 3.6051 3.6270 3.6277 3.6421 3.6423 4.1316 4.1319 k = 0.0610 0.0610-0.0000 ( 19633 PWs) bands (ev): -43.0926 -43.0926 -17.8251 -17.8251 -17.5896 -17.5896 -17.5888 -17.5888 -17.5875 -17.5875 -11.6695 -11.6695 -7.3415 -7.3414 -7.3377 -7.3377 -7.3367 -7.3366 -4.9685 -4.9684 -4.2617 -4.2605 -4.2308 -4.2287 -4.1306 -4.1293 -4.1082 -4.1074 -4.0671 -4.0658 -3.2480 -3.2478 -3.2352 -3.2349 -3.2294 -3.2292 -3.1042 -3.1030 -3.0993 -3.0991 -3.0942 -3.0937 3.6035 3.6039 3.6201 3.6207 3.6311 3.6312 4.1289 4.1292 k = 0.0488 0.0488-0.0000 ( 19629 PWs) bands (ev): -43.0926 -43.0926 -17.8262 -17.8262 -17.5889 -17.5889 -17.5883 -17.5883 -17.5875 -17.5875 -11.6697 -11.6697 -7.3397 -7.3396 -7.3372 -7.3372 -7.3365 -7.3365 -4.9704 -4.9704 -4.2493 -4.2482 -4.2267 -4.2250 -4.1268 -4.1258 -4.1120 -4.1113 -4.0829 -4.0817 -3.2438 -3.2437 -3.2347 -3.2344 -3.2303 -3.2302 -3.1042 -3.1033 -3.0997 -3.0996 -3.0963 -3.0960 3.6023 3.6026 3.6146 3.6150 3.6221 3.6222 4.1267 4.1269 k = 0.0366 0.0366-0.0000 ( 19621 PWs) bands (ev): -43.0926 -43.0926 -17.8271 -17.8271 -17.5883 -17.5883 -17.5880 -17.5880 -17.5875 -17.5875 -11.6698 -11.6698 -7.3382 -7.3382 -7.3369 -7.3368 -7.3365 -7.3364 -4.9720 -4.9720 -4.2378 -4.2368 -4.2232 -4.2218 -4.1239 -4.1231 -4.1152 -4.1146 -4.0971 -4.0960 -3.2410 -3.2409 -3.2338 -3.2337 -3.2309 -3.2309 -3.1042 -3.1037 -3.0998 -3.0998 -3.0979 -3.0978 3.6008 3.6010 3.6107 3.6109 3.6153 3.6154 4.1249 4.1251 k = 0.0244 0.0244-0.0000 ( 19581 PWs) bands (ev): -43.0926 -43.0926 -17.8277 -17.8277 -17.5879 -17.5879 -17.5878 -17.5878 -17.5876 -17.5876 -11.6699 -11.6699 -7.3372 -7.3372 -7.3366 -7.3366 -7.3364 -7.3364 -4.9731 -4.9731 -4.2277 -4.2270 -4.2204 -4.2194 -4.1218 -4.1214 -4.1176 -4.1172 -4.1088 -4.1079 -3.2395 -3.2395 -3.2328 -3.2327 -3.2313 -3.2313 -3.1043 -3.1042 -3.0999 -3.0999 -3.0991 -3.0990 3.5991 3.5991 3.6084 3.6085 3.6106 3.6107 4.1237 4.1238 k = 0.0122 0.0122-0.0000 ( 19569 PWs) bands (ev): -43.0926 -43.0926 -17.8281 -17.8281 -17.5877 -17.5877 -17.5876 -17.5876 -17.5876 -17.5876 -11.6700 -11.6700 -7.3366 -7.3366 -7.3365 -7.3365 -7.3363 -7.3363 -4.9738 -4.9738 -4.2206 -4.2201 -4.2185 -4.2180 -4.1210 -4.1209 -4.1188 -4.1185 -4.1166 -4.1160 -3.2390 -3.2389 -3.2319 -3.2319 -3.2315 -3.2315 -3.1045 -3.1045 -3.1000 -3.0999 -3.0997 -3.0997 3.5976 3.5976 3.6074 3.6074 3.6079 3.6080 4.1229 4.1230 k = 0.0000 0.0000 0.0000 ( 19549 PWs) bands (ev): -43.0925 -43.0925 -17.8282 -17.8282 -17.5876 -17.5876 -17.5876 -17.5876 -17.5876 -17.5876 -11.6700 -11.6700 -7.3364 -7.3364 -7.3364 -7.3364 -7.3362 -7.3362 -4.9740 -4.9740 -4.2177 -4.2177 -4.2177 -4.2177 -4.1214 -4.1214 -4.1188 -4.1188 -4.1188 -4.1188 -3.2388 -3.2388 -3.2316 -3.2316 -3.2316 -3.2316 -3.1046 -3.1046 -3.0999 -3.0999 -3.0999 -3.0999 3.5970 3.5970 3.6071 3.6071 3.6071 3.6071 4.1227 4.1227 k = 0.0000 0.0000 0.0000 ( 19549 PWs) bands (ev): -43.0925 -43.0925 -17.8282 -17.8282 -17.5876 -17.5876 -17.5876 -17.5876 -17.5876 -17.5876 -11.6700 -11.6700 -7.3364 -7.3364 -7.3364 -7.3364 -7.3362 -7.3362 -4.9740 -4.9740 -4.2177 -4.2177 -4.2177 -4.2177 -4.1214 -4.1214 -4.1188 -4.1188 -4.1188 -4.1188 -3.2388 -3.2388 -3.2316 -3.2316 -3.2316 -3.2316 -3.1046 -3.1046 -3.0999 -3.0999 -3.0999 -3.0999 3.5970 3.5970 3.6071 3.6071 3.6071 3.6071 4.1227 4.1227 k = 0.0100 0.0100 0.0100 ( 19573 PWs) bands (ev): -43.0926 -43.0926 -17.8281 -17.8281 -17.5876 -17.5876 -17.5876 -17.5876 -17.5876 -17.5876 -11.6700 -11.6700 -7.3366 -7.3366 -7.3365 -7.3365 -7.3363 -7.3363 -4.9738 -4.9738 -4.2197 -4.2193 -4.2193 -4.2189 -4.1209 -4.1209 -4.1180 -4.1180 -4.1173 -4.1165 -3.2389 -3.2389 -3.2319 -3.2319 -3.2316 -3.2316 -3.1045 -3.1045 -3.0999 -3.0999 -3.0998 -3.0997 3.5976 3.5976 3.6073 3.6073 3.6080 3.6080 4.1233 4.1233 k = 0.0200 0.0200 0.0200 ( 19588 PWs) bands (ev): -43.0926 -43.0926 -17.8277 -17.8277 -17.5878 -17.5878 -17.5877 -17.5877 -17.5877 -17.5877 -11.6699 -11.6699 -7.3372 -7.3372 -7.3366 -7.3366 -7.3364 -7.3364 -4.9731 -4.9731 -4.2244 -4.2239 -4.2239 -4.2230 -4.1223 -4.1223 -4.1131 -4.1131 -4.1124 -4.1109 -3.2395 -3.2395 -3.2328 -3.2327 -3.2314 -3.2314 -3.1042 -3.1042 -3.0997 -3.0997 -3.0994 -3.0992 3.5990 3.5990 3.6085 3.6085 3.6108 3.6108 4.1249 4.1250 k = 0.0300 0.0300 0.0300 ( 19618 PWs) bands (ev): -43.0926 -43.0926 -17.8271 -17.8271 -17.5881 -17.5881 -17.5879 -17.5879 -17.5878 -17.5878 -11.6698 -11.6698 -7.3381 -7.3381 -7.3368 -7.3368 -7.3366 -7.3366 -4.9720 -4.9720 -4.2311 -4.2306 -4.2306 -4.2293 -4.1253 -4.1253 -4.1050 -4.1050 -4.1046 -4.1027 -3.2405 -3.2405 -3.2343 -3.2342 -3.2309 -3.2309 -3.1037 -3.1037 -3.0994 -3.0994 -3.0987 -3.0985 3.6004 3.6004 3.6114 3.6114 3.6154 3.6155 4.1275 4.1276 k = 0.0400 0.0400 0.0400 ( 19633 PWs) bands (ev): -43.0926 -43.0926 -17.8262 -17.8262 -17.5886 -17.5886 -17.5881 -17.5881 -17.5881 -17.5881 -11.6697 -11.6697 -7.3394 -7.3394 -7.3371 -7.3371 -7.3369 -7.3369 -4.9704 -4.9704 -4.2391 -4.2386 -4.2386 -4.2370 -4.1295 -4.1295 -4.0950 -4.0950 -4.0949 -4.0927 -3.2421 -3.2421 -3.2364 -3.2363 -3.2300 -3.2300 -3.1032 -3.1032 -3.0989 -3.0989 -3.0977 -3.0974 3.6010 3.6010 3.6168 3.6168 3.6218 3.6220 4.1313 4.1314 k = 0.0500 0.0500 0.0500 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.8250 -17.8250 -17.5892 -17.5892 -17.5884 -17.5884 -17.5883 -17.5883 -11.6695 -11.6695 -7.3411 -7.3411 -7.3375 -7.3374 -7.3373 -7.3373 -4.9683 -4.9683 -4.2478 -4.2474 -4.2474 -4.2455 -4.1350 -4.1350 -4.0837 -4.0836 -4.0836 -4.0813 -3.2445 -3.2445 -3.2391 -3.2389 -3.2286 -3.2286 -3.1026 -3.1026 -3.0981 -3.0981 -3.0964 -3.0961 3.6011 3.6011 3.6244 3.6244 3.6300 3.6302 4.1362 4.1362 k = 0.0600 0.0600 0.0600 ( 19639 PWs) bands (ev): -43.0926 -43.0926 -17.8236 -17.8236 -17.5899 -17.5899 -17.5887 -17.5887 -17.5887 -17.5887 -11.6693 -11.6693 -7.3431 -7.3431 -7.3379 -7.3379 -7.3377 -7.3377 -4.9658 -4.9658 -4.2568 -4.2565 -4.2565 -4.2545 -4.1417 -4.1417 -4.0716 -4.0712 -4.0712 -4.0690 -3.2474 -3.2474 -3.2423 -3.2421 -3.2268 -3.2268 -3.1022 -3.1022 -3.0969 -3.0969 -3.0948 -3.0945 3.6011 3.6011 3.6340 3.6340 3.6398 3.6401 4.1421 4.1422 k = 0.0700 0.0700 0.0700 ( 19636 PWs) bands (ev): -43.0926 -43.0926 -17.8220 -17.8220 -17.5907 -17.5907 -17.5891 -17.5891 -17.5891 -17.5891 -11.6691 -11.6691 -7.3455 -7.3455 -7.3385 -7.3384 -7.3383 -7.3383 -4.9628 -4.9628 -4.2659 -4.2657 -4.2657 -4.2635 -4.1495 -4.1495 -4.0587 -4.0582 -4.0582 -4.0561 -3.2510 -3.2510 -3.2460 -3.2459 -3.2245 -3.2245 -3.1020 -3.1020 -3.0955 -3.0955 -3.0930 -3.0928 3.6011 3.6011 3.6453 3.6453 3.6512 3.6515 4.1491 4.1491 k = 0.0800 0.0800 0.0800 ( 19642 PWs) bands (ev): -43.0926 -43.0926 -17.8202 -17.8202 -17.5916 -17.5916 -17.5895 -17.5895 -17.5895 -17.5895 -11.6688 -11.6688 -7.3481 -7.3481 -7.3391 -7.3391 -7.3389 -7.3389 -4.9594 -4.9594 -4.2749 -4.2747 -4.2747 -4.2724 -4.1585 -4.1585 -4.0452 -4.0446 -4.0446 -4.0426 -3.2551 -3.2551 -3.2502 -3.2502 -3.2219 -3.2219 -3.1021 -3.1021 -3.0938 -3.0938 -3.0911 -3.0908 3.6013 3.6013 3.6581 3.6581 3.6640 3.6644 4.1571 4.1571 k = 0.0900 0.0900 0.0900 ( 19654 PWs) bands (ev): -43.0926 -43.0926 -17.8181 -17.8181 -17.5926 -17.5926 -17.5900 -17.5900 -17.5900 -17.5900 -11.6686 -11.6686 -7.3510 -7.3510 -7.3399 -7.3399 -7.3397 -7.3397 -4.9554 -4.9554 -4.2835 -4.2835 -4.2835 -4.2811 -4.1685 -4.1685 -4.0313 -4.0305 -4.0305 -4.0287 -3.2597 -3.2597 -3.2550 -3.2549 -3.2190 -3.2190 -3.1023 -3.1023 -3.0918 -3.0918 -3.0889 -3.0887 3.6019 3.6019 3.6723 3.6723 3.6783 3.6787 4.1661 4.1661 k = 0.1000 0.1000 0.1000 ( 19651 PWs) bands (ev): -43.0926 -43.0926 -17.8158 -17.8158 -17.5937 -17.5937 -17.5906 -17.5906 -17.5906 -17.5906 -11.6683 -11.6683 -7.3541 -7.3541 -7.3408 -7.3407 -7.3406 -7.3406 -4.9510 -4.9510 -4.2920 -4.2920 -4.2918 -4.2894 -4.1796 -4.1796 -4.0170 -4.0162 -4.0162 -4.0144 -3.2648 -3.2648 -3.2603 -3.2601 -3.2157 -3.2157 -3.1029 -3.1029 -3.0897 -3.0897 -3.0866 -3.0865 3.6030 3.6030 3.6878 3.6878 3.6937 3.6942 4.1760 4.1760 k = 0.1100 0.1100 0.1100 ( 19645 PWs) bands (ev): -43.0926 -43.0926 -17.8133 -17.8133 -17.5949 -17.5949 -17.5912 -17.5912 -17.5912 -17.5912 -11.6681 -11.6681 -7.3574 -7.3574 -7.3418 -7.3417 -7.3416 -7.3416 -4.9461 -4.9461 -4.3000 -4.3000 -4.2997 -4.2973 -4.1917 -4.1917 -4.0025 -4.0016 -4.0016 -3.9999 -3.2704 -3.2704 -3.2660 -3.2656 -3.2121 -3.2121 -3.1037 -3.1037 -3.0874 -3.0874 -3.0842 -3.0841 3.6047 3.6047 3.7044 3.7044 3.7102 3.7107 4.1869 4.1869 k = 0.1200 0.1200 0.1200 ( 19645 PWs) bands (ev): -43.0926 -43.0926 -17.8106 -17.8106 -17.5962 -17.5962 -17.5919 -17.5919 -17.5919 -17.5918 -11.6678 -11.6678 -7.3609 -7.3609 -7.3429 -7.3429 -7.3427 -7.3427 -4.9407 -4.9407 -4.3075 -4.3075 -4.3071 -4.3047 -4.2047 -4.2047 -3.9878 -3.9868 -3.9868 -3.9852 -3.2764 -3.2764 -3.2722 -3.2716 -3.2081 -3.2081 -3.1049 -3.1049 -3.0851 -3.0851 -3.0818 -3.0816 3.6072 3.6072 3.7219 3.7219 3.7276 3.7282 4.1986 4.1986 k = 0.1300 0.1300 0.1300 ( 19645 PWs) bands (ev): -43.0926 -43.0926 -17.8078 -17.8078 -17.5976 -17.5976 -17.5926 -17.5926 -17.5926 -17.5925 -11.6676 -11.6676 -7.3646 -7.3646 -7.3442 -7.3442 -7.3440 -7.3440 -4.9348 -4.9348 -4.3143 -4.3143 -4.3138 -4.3116 -4.2185 -4.2185 -3.9729 -3.9719 -3.9719 -3.9703 -3.2827 -3.2827 -3.2787 -3.2780 -3.2039 -3.2039 -3.1066 -3.1066 -3.0827 -3.0827 -3.0794 -3.0791 3.6105 3.6105 3.7402 3.7402 3.7457 3.7464 4.2111 4.2111 k = 0.1400 0.1400 0.1400 ( 19636 PWs) bands (ev): -43.0926 -43.0926 -17.8047 -17.8047 -17.5990 -17.5990 -17.5933 -17.5933 -17.5933 -17.5933 -11.6674 -11.6674 -7.3683 -7.3683 -7.3456 -7.3456 -7.3454 -7.3454 -4.9284 -4.9284 -4.3206 -4.3206 -4.3200 -4.3178 -4.2331 -4.2331 -3.9578 -3.9568 -3.9568 -3.9554 -3.2894 -3.2894 -3.2856 -3.2847 -3.1994 -3.1994 -3.1088 -3.1088 -3.0803 -3.0803 -3.0770 -3.0765 3.6147 3.6147 3.7591 3.7591 3.7645 3.7652 4.2243 4.2243 k = 0.1500 0.1500 0.1500 ( 19633 PWs) bands (ev): -43.0926 -43.0926 -17.8016 -17.8016 -17.6005 -17.6005 -17.5941 -17.5941 -17.5941 -17.5941 -11.6673 -11.6673 -7.3721 -7.3721 -7.3472 -7.3471 -7.3470 -7.3470 -4.9215 -4.9215 -4.3262 -4.3262 -4.3254 -4.3233 -4.2483 -4.2483 -3.9428 -3.9417 -3.9417 -3.9403 -3.2964 -3.2964 -3.2928 -3.2917 -3.1947 -3.1947 -3.1116 -3.1116 -3.0779 -3.0779 -3.0746 -3.0740 3.6200 3.6200 3.7784 3.7784 3.7836 3.7844 4.2381 4.2381 k = 0.1600 0.1600 0.1600 ( 19627 PWs) bands (ev): -43.0926 -43.0926 -17.7983 -17.7983 -17.6021 -17.6021 -17.5949 -17.5949 -17.5949 -17.5949 -11.6672 -11.6672 -7.3759 -7.3759 -7.3489 -7.3488 -7.3487 -7.3487 -4.9142 -4.9142 -4.3310 -4.3310 -4.3302 -4.3281 -4.2641 -4.2641 -3.9276 -3.9265 -3.9265 -3.9252 -3.3036 -3.3036 -3.3003 -3.2990 -3.1898 -3.1898 -3.1150 -3.1150 -3.0756 -3.0756 -3.0724 -3.0715 3.6264 3.6264 3.7979 3.7979 3.8030 3.8039 4.2523 4.2523 k = 0.1700 0.1700 0.1700 ( 19615 PWs) bands (ev): -43.0926 -43.0926 -17.7948 -17.7948 -17.6036 -17.6036 -17.5958 -17.5958 -17.5957 -17.5957 -11.6671 -11.6671 -7.3798 -7.3798 -7.3508 -7.3507 -7.3505 -7.3505 -4.9065 -4.9065 -4.3351 -4.3351 -4.3341 -4.3322 -4.2803 -4.2803 -3.9125 -3.9114 -3.9114 -3.9102 -3.3111 -3.3111 -3.3080 -3.3065 -3.1846 -3.1846 -3.1192 -3.1192 -3.0734 -3.0734 -3.0702 -3.0691 3.6340 3.6340 3.8176 3.8176 3.8225 3.8235 4.2668 4.2668 k = 0.1800 0.1800 0.1800 ( 19609 PWs) bands (ev): -43.0926 -43.0926 -17.7913 -17.7913 -17.6052 -17.6052 -17.5967 -17.5967 -17.5966 -17.5966 -11.6671 -11.6671 -7.3836 -7.3836 -7.3528 -7.3528 -7.3526 -7.3526 -4.8984 -4.8984 -4.3385 -4.3385 -4.3373 -4.3354 -4.2968 -4.2968 -3.8975 -3.8964 -3.8964 -3.8952 -3.3188 -3.3188 -3.3159 -3.3141 -3.1792 -3.1792 -3.1242 -3.1242 -3.0713 -3.0713 -3.0681 -3.0668 3.6428 3.6428 3.8373 3.8373 3.8420 3.8430 4.2814 4.2814 k = 0.1900 0.1900 0.1900 ( 19600 PWs) bands (ev): -43.0926 -43.0926 -17.7877 -17.7877 -17.6068 -17.6068 -17.5976 -17.5976 -17.5975 -17.5975 -11.6672 -11.6672 -7.3874 -7.3874 -7.3550 -7.3549 -7.3548 -7.3548 -4.8900 -4.8900 -4.3410 -4.3410 -4.3397 -4.3379 -4.3133 -4.3133 -3.8826 -3.8814 -3.8814 -3.8803 -3.3267 -3.3267 -3.3241 -3.3220 -3.1737 -3.1737 -3.1301 -3.1301 -3.0693 -3.0693 -3.0661 -3.0646 3.6529 3.6529 3.8567 3.8567 3.8612 3.8623 4.2958 4.2958 k = 0.2000 0.2000 0.2000 ( 19636 PWs) bands (ev): -43.0926 -43.0926 -17.7841 -17.7841 -17.6084 -17.6084 -17.5985 -17.5985 -17.5985 -17.5985 -11.6673 -11.6673 -7.3911 -7.3911 -7.3574 -7.3573 -7.3571 -7.3571 -4.8813 -4.8813 -4.3428 -4.3428 -4.3412 -4.3395 -4.3297 -4.3297 -3.8678 -3.8667 -3.8667 -3.8656 -3.3347 -3.3347 -3.3323 -3.3300 -3.1680 -3.1680 -3.1369 -3.1369 -3.0675 -3.0675 -3.0643 -3.0625 3.6643 3.6643 3.8759 3.8759 3.8802 3.8812 4.3097 4.3097 k = 0.2100 0.2100 0.2100 ( 19606 PWs) bands (ev): -43.0926 -43.0926 -17.7804 -17.7804 -17.6100 -17.6100 -17.5994 -17.5994 -17.5994 -17.5994 -11.6675 -11.6675 -7.3947 -7.3947 -7.3599 -7.3598 -7.3596 -7.3596 -4.8725 -4.8725 -4.3474 -4.3474 -4.3421 -4.3421 -4.3418 -4.3402 -3.8533 -3.8522 -3.8522 -3.8511 -3.3427 -3.3427 -3.3406 -3.3381 -3.1623 -3.1623 -3.1448 -3.1448 -3.0658 -3.0658 -3.0626 -3.0607 3.6770 3.6770 3.8946 3.8946 3.8987 3.8998 4.3229 4.3229 k = 0.2200 0.2200 0.2200 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7767 -17.7767 -17.6115 -17.6115 -17.6004 -17.6004 -17.6004 -17.6004 -11.6677 -11.6677 -7.3981 -7.3981 -7.3625 -7.3625 -7.3623 -7.3623 -4.8636 -4.8636 -4.3624 -4.3624 -4.3428 -4.3428 -4.3416 -4.3400 -3.8391 -3.8380 -3.8380 -3.8369 -3.3509 -3.3509 -3.3491 -3.3462 -3.1568 -3.1568 -3.1534 -3.1534 -3.0642 -3.0642 -3.0611 -3.0589 3.6910 3.6910 3.9129 3.9129 3.9167 3.9178 4.3351 4.3351 k = 0.2300 0.2300 0.2300 ( 19618 PWs) bands (ev): -43.0926 -43.0926 -17.7730 -17.7730 -17.6130 -17.6130 -17.6014 -17.6014 -17.6013 -17.6013 -11.6681 -11.6681 -7.4015 -7.4015 -7.3653 -7.3653 -7.3651 -7.3651 -4.8547 -4.8547 -4.3775 -4.3775 -4.3419 -4.3419 -4.3405 -4.3390 -3.8252 -3.8241 -3.8241 -3.8230 -3.3590 -3.3590 -3.3575 -3.3544 -3.1641 -3.1641 -3.1502 -3.1502 -3.0629 -3.0629 -3.0597 -3.0574 3.7063 3.7063 3.9305 3.9305 3.9342 3.9353 4.3459 4.3459 k = 0.2400 0.2400 0.2400 ( 19621 PWs) bands (ev): -43.0926 -43.0926 -17.7693 -17.7693 -17.6144 -17.6144 -17.6023 -17.6023 -17.6023 -17.6023 -11.6685 -11.6685 -7.4046 -7.4046 -7.3683 -7.3682 -7.3680 -7.3680 -4.8462 -4.8462 -4.3916 -4.3916 -4.3401 -4.3401 -4.3385 -4.3371 -3.8117 -3.8106 -3.8106 -3.8095 -3.3672 -3.3672 -3.3660 -3.3626 -3.1754 -3.1754 -3.1442 -3.1442 -3.0616 -3.0616 -3.0585 -3.0560 3.7228 3.7228 3.9475 3.9475 3.9510 3.9521 4.3550 4.3550 k = 0.2500 0.2500 0.2500 ( 19627 PWs) bands (ev): -43.0926 -43.0926 -17.7657 -17.7657 -17.6158 -17.6158 -17.6033 -17.6033 -17.6033 -17.6033 -11.6690 -11.6690 -7.4077 -7.4077 -7.3713 -7.3713 -7.3711 -7.3711 -4.8381 -4.8381 -4.4045 -4.4045 -4.3373 -4.3373 -4.3356 -4.3343 -3.7987 -3.7976 -3.7976 -3.7965 -3.3753 -3.3753 -3.3744 -3.3707 -3.1879 -3.1879 -3.1381 -3.1381 -3.0606 -3.0606 -3.0575 -3.0547 3.7405 3.7405 3.9639 3.9639 3.9671 3.9683 4.3622 4.3622 k = 0.2600 0.2600 0.2600 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7621 -17.7621 -17.6171 -17.6171 -17.6043 -17.6043 -17.6043 -17.6043 -11.6696 -11.6696 -7.4105 -7.4105 -7.3745 -7.3744 -7.3742 -7.3742 -4.8307 -4.8307 -4.4158 -4.4158 -4.3337 -4.3337 -4.3319 -4.3307 -3.7862 -3.7851 -3.7851 -3.7839 -3.3833 -3.3833 -3.3828 -3.3788 -3.2016 -3.2016 -3.1320 -3.1320 -3.0596 -3.0596 -3.0566 -3.0536 3.7593 3.7593 3.9795 3.9795 3.9825 3.9837 4.3673 4.3673 k = 0.2700 0.2700 0.2700 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7587 -17.7587 -17.6183 -17.6183 -17.6053 -17.6053 -17.6052 -17.6052 -11.6702 -11.6702 -7.4131 -7.4131 -7.3778 -7.3777 -7.3775 -7.3775 -4.8242 -4.8242 -4.4252 -4.4252 -4.3292 -4.3292 -4.3274 -4.3262 -3.7742 -3.7732 -3.7732 -3.7719 -3.3913 -3.3913 -3.3911 -3.3868 -3.2166 -3.2166 -3.1259 -3.1259 -3.0588 -3.0588 -3.0557 -3.0527 3.7791 3.7791 3.9944 3.9944 3.9972 3.9984 4.3700 4.3700 k = 0.2800 0.2800 0.2800 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7553 -17.7553 -17.6193 -17.6193 -17.6062 -17.6062 -17.6062 -17.6062 -11.6709 -11.6709 -7.4156 -7.4156 -7.3812 -7.3811 -7.3809 -7.3809 -4.8190 -4.8190 -4.4323 -4.4323 -4.3240 -4.3240 -4.3220 -4.3210 -3.7629 -3.7619 -3.7619 -3.7606 -3.3993 -3.3992 -3.3992 -3.3948 -3.2328 -3.2328 -3.1198 -3.1198 -3.0581 -3.0581 -3.0550 -3.0518 3.7998 3.7998 4.0085 4.0085 4.0112 4.0124 4.3703 4.3703 k = 0.2900 0.2900 0.2900 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7521 -17.7521 -17.6203 -17.6203 -17.6072 -17.6072 -17.6072 -17.6072 -11.6717 -11.6717 -7.4179 -7.4179 -7.3846 -7.3845 -7.3843 -7.3843 -4.8152 -4.8152 -4.4369 -4.4369 -4.3179 -4.3179 -4.3159 -4.3149 -3.7523 -3.7514 -3.7514 -3.7499 -3.4073 -3.4069 -3.4069 -3.4026 -3.2503 -3.2503 -3.1138 -3.1138 -3.0574 -3.0574 -3.0544 -3.0510 3.8213 3.8213 4.0219 4.0219 4.0245 4.0257 4.3681 4.3681 k = 0.3000 0.3000 0.3000 ( 19636 PWs) bands (ev): -43.0926 -43.0926 -17.7491 -17.7491 -17.6211 -17.6211 -17.6081 -17.6081 -17.6081 -17.6081 -11.6725 -11.6725 -7.4200 -7.4200 -7.3881 -7.3880 -7.3878 -7.3878 -4.8131 -4.8131 -4.4386 -4.4386 -4.3112 -4.3112 -4.3090 -4.3081 -3.7424 -3.7415 -3.7415 -3.7399 -3.4153 -3.4145 -3.4145 -3.4102 -3.2690 -3.2690 -3.1079 -3.1079 -3.0568 -3.0568 -3.0538 -3.0503 3.8434 3.8434 4.0346 4.0346 4.0370 4.0382 4.3636 4.3636 k = 0.3100 0.3100 0.3100 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7462 -17.7462 -17.6218 -17.6218 -17.6090 -17.6090 -17.6090 -17.6090 -11.6734 -11.6734 -7.4219 -7.4219 -7.3916 -7.3915 -7.3913 -7.3913 -4.8127 -4.8127 -4.4373 -4.4373 -4.3038 -4.3038 -4.3015 -4.3007 -3.7333 -3.7325 -3.7325 -3.7307 -3.4230 -3.4220 -3.4220 -3.4178 -3.2888 -3.2888 -3.1021 -3.1021 -3.0562 -3.0562 -3.0531 -3.0496 3.8661 3.8661 4.0466 4.0466 4.0488 4.0500 4.3569 4.3569 k = 0.3200 0.3200 0.3200 ( 19597 PWs) bands (ev): -43.0926 -43.0926 -17.7435 -17.7435 -17.6223 -17.6223 -17.6099 -17.6099 -17.6099 -17.6099 -11.6743 -11.6743 -7.4237 -7.4237 -7.3951 -7.3950 -7.3948 -7.3948 -4.8140 -4.8140 -4.4329 -4.4329 -4.2957 -4.2957 -4.2934 -4.2927 -3.7250 -3.7242 -3.7242 -3.7223 -3.4306 -3.4293 -3.4293 -3.4252 -3.3097 -3.3097 -3.0965 -3.0965 -3.0556 -3.0556 -3.0525 -3.0489 3.8891 3.8891 4.0578 4.0578 4.0599 4.0611 4.3482 4.3482 k = 0.3300 0.3300 0.3300 ( 19603 PWs) bands (ev): -43.0926 -43.0926 -17.7410 -17.7410 -17.6227 -17.6227 -17.6108 -17.6108 -17.6108 -17.6108 -11.6752 -11.6752 -7.4252 -7.4252 -7.3985 -7.3985 -7.3983 -7.3983 -4.8170 -4.8170 -4.4256 -4.4256 -4.2871 -4.2871 -4.2847 -4.2841 -3.7175 -3.7167 -3.7167 -3.7147 -3.4380 -3.4364 -3.4364 -3.4324 -3.3317 -3.3317 -3.0910 -3.0910 -3.0549 -3.0549 -3.0519 -3.0483 3.9123 3.9123 4.0683 4.0683 4.0703 4.0715 4.3378 4.3378 k = 0.3400 0.3400 0.3400 ( 19609 PWs) bands (ev): -43.0926 -43.0926 -17.7387 -17.7387 -17.6230 -17.6230 -17.6116 -17.6116 -17.6116 -17.6116 -11.6762 -11.6762 -7.4266 -7.4266 -7.4020 -7.4019 -7.4017 -7.4017 -4.8214 -4.8214 -4.4156 -4.4156 -4.2781 -4.2781 -4.2756 -4.2750 -3.7108 -3.7101 -3.7101 -3.7079 -3.4452 -3.4433 -3.4433 -3.4395 -3.3546 -3.3546 -3.0857 -3.0857 -3.0542 -3.0542 -3.0512 -3.0476 3.9355 3.9355 4.0781 4.0781 4.0800 4.0812 4.3260 4.3260 k = 0.3500 0.3500 0.3500 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7366 -17.7366 -17.6231 -17.6231 -17.6124 -17.6124 -17.6124 -17.6124 -11.6772 -11.6772 -7.4279 -7.4279 -7.4054 -7.4053 -7.4051 -7.4051 -4.8270 -4.8270 -4.4030 -4.4030 -4.2686 -4.2686 -4.2661 -4.2656 -3.7049 -3.7043 -3.7043 -3.7020 -3.4522 -3.4501 -3.4501 -3.4463 -3.3784 -3.3784 -3.0806 -3.0806 -3.0535 -3.0535 -3.0504 -3.0468 3.9586 3.9586 4.0872 4.0872 4.0890 4.0902 4.3131 4.3131 k = 0.3600 0.3600 0.3600 ( 19628 PWs) bands (ev): -43.0926 -43.0926 -17.7347 -17.7347 -17.6230 -17.6230 -17.6132 -17.6132 -17.6132 -17.6132 -11.6781 -11.6781 -7.4290 -7.4290 -7.4087 -7.4086 -7.4084 -7.4084 -4.8336 -4.8336 -4.3882 -4.3882 -4.2589 -4.2589 -4.2563 -4.2558 -3.6998 -3.6993 -3.6993 -3.6968 -3.4590 -3.4567 -3.4567 -3.4531 -3.4029 -3.4029 -3.0757 -3.0757 -3.0526 -3.0526 -3.0495 -3.0460 3.9813 3.9813 4.0957 4.0957 4.0973 4.0986 4.2995 4.2995 k = 0.3700 0.3700 0.3700 ( 19649 PWs) bands (ev): -43.0926 -43.0926 -17.7330 -17.7330 -17.6229 -17.6229 -17.6139 -17.6139 -17.6139 -17.6139 -11.6791 -11.6791 -7.4300 -7.4300 -7.4119 -7.4118 -7.4116 -7.4116 -4.8407 -4.8407 -4.3715 -4.3715 -4.2491 -4.2491 -4.2464 -4.2459 -3.6956 -3.6950 -3.6950 -3.6925 -3.4655 -3.4630 -3.4630 -3.4596 -3.4281 -3.4281 -3.0712 -3.0712 -3.0516 -3.0516 -3.0486 -3.0452 4.0034 4.0034 4.1035 4.1035 4.1050 4.1063 4.2853 4.2853 k = 0.3800 0.3800 0.3800 ( 19643 PWs) bands (ev): -43.0926 -43.0926 -17.7316 -17.7316 -17.6227 -17.6227 -17.6146 -17.6146 -17.6146 -17.6146 -11.6800 -11.6800 -7.4308 -7.4308 -7.4149 -7.4149 -7.4147 -7.4147 -4.8482 -4.8482 -4.3532 -4.3532 -4.2391 -4.2391 -4.2364 -4.2360 -3.6920 -3.6916 -3.6916 -3.6889 -3.4717 -3.4691 -3.4691 -3.4659 -3.4537 -3.4537 -3.0669 -3.0669 -3.0505 -3.0505 -3.0476 -3.0443 4.0249 4.0249 4.1107 4.1107 4.1121 4.1134 4.2711 4.2711 k = 0.3900 0.3900 0.3900 ( 19634 PWs) bands (ev): -43.0926 -43.0926 -17.7303 -17.7303 -17.6223 -17.6223 -17.6152 -17.6152 -17.6152 -17.6152 -11.6810 -11.6810 -7.4315 -7.4315 -7.4178 -7.4178 -7.4176 -7.4176 -4.8558 -4.8558 -4.3337 -4.3337 -4.2292 -4.2292 -4.2264 -4.2261 -3.6891 -3.6887 -3.6887 -3.6861 -3.4796 -3.4796 -3.4776 -3.4749 -3.4749 -3.4719 -3.0629 -3.0629 -3.0494 -3.0494 -3.0465 -3.0434 4.0454 4.0454 4.1172 4.1172 4.1185 4.1198 4.2570 4.2570 k = 0.4000 0.4000 0.4000 ( 19634 PWs) bands (ev): -43.0926 -43.0926 -17.7292 -17.7292 -17.6220 -17.6220 -17.6158 -17.6158 -17.6158 -17.6158 -11.6818 -11.6818 -7.4322 -7.4322 -7.4206 -7.4205 -7.4203 -7.4203 -4.8634 -4.8634 -4.3133 -4.3133 -4.2195 -4.2195 -4.2166 -4.2163 -3.6868 -3.6866 -3.6866 -3.6839 -3.5055 -3.5055 -3.4832 -3.4806 -3.4806 -3.4777 -3.0593 -3.0593 -3.0481 -3.0481 -3.0453 -3.0424 4.0648 4.0648 4.1232 4.1232 4.1244 4.1257 4.2432 4.2432 k = 0.4100 0.4100 0.4100 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7282 -17.7282 -17.6215 -17.6215 -17.6164 -17.6164 -17.6163 -17.6163 -11.6827 -11.6827 -7.4327 -7.4327 -7.4231 -7.4231 -7.4229 -7.4229 -4.8706 -4.8706 -4.2924 -4.2924 -4.2101 -4.2101 -4.2072 -4.2069 -3.6851 -3.6849 -3.6849 -3.6823 -3.5313 -3.5313 -3.4884 -3.4858 -3.4858 -3.4832 -3.0561 -3.0561 -3.0467 -3.0467 -3.0442 -3.0415 4.0830 4.0830 4.1286 4.1286 4.1296 4.1310 4.2301 4.2301 k = 0.4200 0.4200 0.4200 ( 19625 PWs) bands (ev): -43.0926 -43.0926 -17.7274 -17.7274 -17.6211 -17.6211 -17.6168 -17.6168 -17.6168 -17.6168 -11.6835 -11.6835 -7.4331 -7.4331 -7.4254 -7.4254 -7.4252 -7.4252 -4.8774 -4.8774 -4.2714 -4.2714 -4.2012 -4.2012 -4.1982 -4.1980 -3.6839 -3.6838 -3.6838 -3.6812 -3.5565 -3.5565 -3.4932 -3.4907 -3.4907 -3.4883 -3.0533 -3.0533 -3.0452 -3.0452 -3.0430 -3.0405 4.0996 4.0996 4.1335 4.1335 4.1343 4.1357 4.2179 4.2179 k = 0.4300 0.4300 0.4300 ( 19625 PWs) bands (ev): -43.0926 -43.0926 -17.7267 -17.7267 -17.6206 -17.6206 -17.6173 -17.6173 -17.6173 -17.6173 -11.6842 -11.6842 -7.4335 -7.4335 -7.4275 -7.4275 -7.4273 -7.4273 -4.8837 -4.8837 -4.2506 -4.2506 -4.1929 -4.1929 -4.1898 -4.1896 -3.6831 -3.6830 -3.6830 -3.6806 -3.5809 -3.5809 -3.4975 -3.4952 -3.4952 -3.4930 -3.0510 -3.0510 -3.0436 -3.0436 -3.0418 -3.0396 4.1146 4.1146 4.1380 4.1380 4.1384 4.1399 4.2066 4.2066 k = 0.4400 0.4400 0.4400 ( 19619 PWs) bands (ev): -43.0926 -43.0926 -17.7262 -17.7262 -17.6202 -17.6202 -17.6177 -17.6177 -17.6176 -17.6176 -11.6848 -11.6848 -7.4338 -7.4338 -7.4294 -7.4294 -7.4292 -7.4292 -4.8893 -4.8893 -4.2306 -4.2306 -4.1853 -4.1853 -4.1822 -4.1820 -3.6826 -3.6826 -3.6825 -3.6803 -3.6041 -3.6041 -3.5012 -3.4992 -3.4992 -3.4973 -3.0490 -3.0490 -3.0421 -3.0421 -3.0407 -3.0388 4.1276 4.1276 4.1420 4.1421 4.1421 4.1436 4.1965 4.1965 k = 0.4500 0.4500 0.4500 ( 19619 PWs) bands (ev): -43.0926 -43.0926 -17.7258 -17.7258 -17.6198 -17.6198 -17.6180 -17.6180 -17.6180 -17.6180 -11.6853 -11.6853 -7.4341 -7.4341 -7.4310 -7.4310 -7.4307 -7.4307 -4.8942 -4.8942 -4.2119 -4.2119 -4.1785 -4.1785 -4.1754 -4.1753 -3.6825 -3.6825 -3.6822 -3.6803 -3.6254 -3.6254 -3.5045 -3.5027 -3.5027 -3.5011 -3.0475 -3.0475 -3.0406 -3.0406 -3.0397 -3.0381 4.1381 4.1381 4.1451 4.1465 4.1465 4.1467 4.1876 4.1876 k = 0.4600 0.4600 0.4600 ( 19637 PWs) bands (ev): -43.0926 -43.0926 -17.7254 -17.7254 -17.6194 -17.6194 -17.6183 -17.6183 -17.6182 -17.6182 -11.6858 -11.6858 -7.4343 -7.4343 -7.4323 -7.4323 -7.4321 -7.4321 -4.8983 -4.8983 -4.1952 -4.1952 -4.1727 -4.1727 -4.1697 -4.1696 -3.6824 -3.6824 -3.6821 -3.6805 -3.6443 -3.6443 -3.5071 -3.5057 -3.5057 -3.5043 -3.0463 -3.0463 -3.0392 -3.0392 -3.0388 -3.0375 4.1447 4.1447 4.1477 4.1493 4.1521 4.1521 4.1803 4.1803 k = 0.4700 0.4700 0.4700 ( 19649 PWs) bands (ev): -43.0926 -43.0926 -17.7252 -17.7252 -17.6191 -17.6191 -17.6185 -17.6185 -17.6184 -17.6184 -11.6861 -11.6861 -7.4344 -7.4344 -7.4333 -7.4333 -7.4331 -7.4331 -4.9015 -4.9015 -4.1812 -4.1812 -4.1680 -4.1680 -4.1651 -4.1650 -3.6825 -3.6825 -3.6820 -3.6808 -3.6600 -3.6600 -3.5091 -3.5080 -3.5080 -3.5070 -3.0454 -3.0454 -3.0382 -3.0382 -3.0380 -3.0370 4.1483 4.1483 4.1498 4.1514 4.1579 4.1579 4.1747 4.1747 k = 0.4800 0.4800 0.4800 ( 19655 PWs) bands (ev): -43.0926 -43.0926 -17.7250 -17.7250 -17.6189 -17.6189 -17.6186 -17.6186 -17.6186 -17.6186 -11.6864 -11.6864 -7.4345 -7.4345 -7.4341 -7.4341 -7.4338 -7.4338 -4.9039 -4.9039 -4.1709 -4.1709 -4.1641 -4.1641 -4.1617 -4.1617 -3.6827 -3.6827 -3.6819 -3.6811 -3.6720 -3.6720 -3.5104 -3.5097 -3.5097 -3.5090 -3.0448 -3.0448 -3.0374 -3.0373 -3.0373 -3.0367 4.1509 4.1509 4.1516 4.1528 4.1611 4.1611 4.1716 4.1716 k = 0.4900 0.4900 0.4900 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7249 -17.7249 -17.6188 -17.6188 -17.6187 -17.6187 -17.6187 -17.6187 -11.6866 -11.6866 -7.4346 -7.4346 -7.4345 -7.4345 -7.4342 -7.4342 -4.9053 -4.9053 -4.1655 -4.1655 -4.1606 -4.1606 -4.1597 -4.1597 -3.6828 -3.6828 -3.6818 -3.6814 -3.6794 -3.6794 -3.5111 -3.5107 -3.5107 -3.5104 -3.0444 -3.0444 -3.0369 -3.0368 -3.0368 -3.0366 4.1528 4.1528 4.1529 4.1536 4.1610 4.1610 4.1715 4.1715 k = 0.5000 0.5000 0.5000 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7249 -17.7249 -17.6188 -17.6188 -17.6187 -17.6187 -17.6187 -17.6187 -11.6866 -11.6866 -7.4347 -7.4347 -7.4347 -7.4347 -7.4343 -7.4343 -4.9058 -4.9058 -4.1642 -4.1642 -4.1590 -4.1590 -4.1590 -4.1590 -3.6831 -3.6831 -3.6817 -3.6817 -3.6817 -3.6817 -3.5111 -3.5111 -3.5111 -3.5111 -3.0442 -3.0442 -3.0367 -3.0367 -3.0367 -3.0367 4.1536 4.1536 4.1536 4.1536 4.1603 4.1603 4.1719 4.1719 k = 0.5000 0.5000 0.5000 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7249 -17.7249 -17.6188 -17.6188 -17.6187 -17.6187 -17.6187 -17.6187 -11.6866 -11.6866 -7.4347 -7.4347 -7.4347 -7.4347 -7.4343 -7.4343 -4.9058 -4.9058 -4.1642 -4.1642 -4.1590 -4.1590 -4.1590 -4.1590 -3.6831 -3.6831 -3.6817 -3.6817 -3.6817 -3.6817 -3.5111 -3.5111 -3.5111 -3.5111 -3.0442 -3.0442 -3.0367 -3.0367 -3.0367 -3.0367 4.1536 4.1536 4.1536 4.1536 4.1603 4.1603 4.1719 4.1719 k = 0.4878 0.5000 0.4878 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7249 -17.7249 -17.6188 -17.6188 -17.6187 -17.6187 -17.6187 -17.6187 -11.6866 -11.6866 -7.4346 -7.4346 -7.4345 -7.4345 -7.4342 -7.4342 -4.9053 -4.9053 -4.1655 -4.1655 -4.1608 -4.1607 -4.1596 -4.1595 -3.6834 -3.6832 -3.6810 -3.6806 -3.6798 -3.6798 -3.5111 -3.5108 -3.5107 -3.5103 -3.0444 -3.0444 -3.0369 -3.0369 -3.0368 -3.0366 4.1521 4.1525 4.1533 4.1541 4.1608 4.1611 4.1715 4.1716 k = 0.4756 0.5000 0.4756 ( 19660 PWs) bands (ev): -43.0926 -43.0926 -17.7250 -17.7250 -17.6188 -17.6188 -17.6187 -17.6187 -17.6185 -17.6185 -11.6864 -11.6864 -7.4346 -7.4346 -7.4341 -7.4341 -7.4338 -7.4338 -4.9039 -4.9039 -4.1702 -4.1701 -4.1661 -4.1659 -4.1605 -4.1605 -3.6859 -3.6854 -3.6768 -3.6754 -3.6748 -3.6741 -3.5107 -3.5098 -3.5096 -3.5087 -3.0448 -3.0447 -3.0374 -3.0374 -3.0373 -3.0367 4.1492 4.1499 4.1523 4.1545 4.1609 4.1634 4.1704 4.1714 k = 0.4634 0.5000 0.4634 ( 19636 PWs) bands (ev): -43.0926 -43.0926 -17.7252 -17.7252 -17.6190 -17.6190 -17.6188 -17.6187 -17.6183 -17.6183 -11.6861 -11.6861 -7.4345 -7.4345 -7.4334 -7.4334 -7.4330 -7.4330 -4.9016 -4.9016 -4.1786 -4.1781 -4.1746 -4.1740 -4.1614 -4.1613 -3.6901 -3.6894 -3.6698 -3.6674 -3.6665 -3.6649 -3.5097 -3.5084 -3.5077 -3.5064 -3.0454 -3.0453 -3.0382 -3.0380 -3.0380 -3.0371 4.1456 4.1467 4.1496 4.1532 4.1595 4.1657 4.1701 4.1731 k = 0.4512 0.5000 0.4512 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7254 -17.7254 -17.6192 -17.6192 -17.6188 -17.6187 -17.6180 -17.6180 -11.6858 -11.6858 -7.4345 -7.4344 -7.4324 -7.4324 -7.4318 -7.4318 -4.8984 -4.8984 -4.1901 -4.1892 -4.1857 -4.1848 -4.1622 -4.1622 -3.6957 -3.6948 -3.6608 -3.6578 -3.6545 -3.6527 -3.5081 -3.5062 -3.5052 -3.5036 -3.0464 -3.0461 -3.0392 -3.0392 -3.0388 -3.0375 4.1414 4.1432 4.1451 4.1487 4.1576 4.1640 4.1750 4.1777 k = 0.4390 0.5000 0.4390 ( 19610 PWs) bands (ev): -43.0926 -43.0926 -17.7257 -17.7257 -17.6195 -17.6194 -17.6187 -17.6187 -17.6176 -17.6176 -11.6853 -11.6853 -7.4344 -7.4344 -7.4312 -7.4312 -7.4304 -7.4303 -4.8943 -4.8943 -4.2041 -4.2031 -4.1987 -4.1976 -4.1633 -4.1632 -3.7025 -3.7014 -3.6505 -3.6472 -3.6397 -3.6378 -3.5054 -3.5032 -3.5024 -3.5004 -3.0477 -3.0472 -3.0406 -3.0405 -3.0398 -3.0382 4.1354 4.1390 4.1401 4.1416 4.1551 4.1606 4.1827 4.1847 k = 0.4268 0.5000 0.4268 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7261 -17.7261 -17.6198 -17.6198 -17.6187 -17.6187 -17.6171 -17.6171 -11.6848 -11.6848 -7.4343 -7.4343 -7.4297 -7.4297 -7.4286 -7.4285 -4.8894 -4.8893 -4.2203 -4.2193 -4.2131 -4.2119 -4.1645 -4.1644 -3.7102 -3.7090 -3.6397 -3.6361 -3.6225 -3.6206 -3.5016 -3.4994 -3.4989 -3.4971 -3.0493 -3.0485 -3.0422 -3.0419 -3.0408 -3.0390 4.1268 4.1312 4.1353 4.1357 4.1519 4.1566 4.1921 4.1936 k = 0.4146 0.5000 0.4146 ( 19606 PWs) bands (ev): -43.0926 -43.0926 -17.7266 -17.7266 -17.6202 -17.6202 -17.6186 -17.6186 -17.6165 -17.6165 -11.6842 -11.6842 -7.4342 -7.4341 -7.4280 -7.4280 -7.4265 -7.4264 -4.8837 -4.8836 -4.2382 -4.2374 -4.2284 -4.2273 -4.1659 -4.1658 -3.7186 -3.7173 -3.6293 -3.6255 -3.6035 -3.6016 -3.4970 -3.4955 -3.4944 -3.4925 -3.0514 -3.0501 -3.0440 -3.0435 -3.0419 -3.0400 4.1162 4.1202 4.1306 4.1311 4.1480 4.1520 4.2028 4.2040 k = 0.4024 0.5000 0.4024 ( 19600 PWs) bands (ev): -43.0926 -43.0926 -17.7272 -17.7272 -17.6207 -17.6207 -17.6184 -17.6184 -17.6158 -17.6158 -11.6835 -11.6835 -7.4341 -7.4340 -7.4260 -7.4260 -7.4241 -7.4240 -4.8773 -4.8772 -4.2572 -4.2566 -4.2443 -4.2434 -4.1675 -4.1674 -3.7277 -3.7263 -3.6200 -3.6161 -3.5831 -3.5812 -3.4942 -3.4914 -3.4881 -3.4847 -3.0539 -3.0521 -3.0459 -3.0453 -3.0430 -3.0410 4.1039 4.1075 4.1256 4.1261 4.1435 4.1469 4.2144 4.2149 k = 0.3902 0.5000 0.3902 ( 19618 PWs) bands (ev): -43.0926 -43.0926 -17.7279 -17.7279 -17.6212 -17.6212 -17.6182 -17.6182 -17.6151 -17.6151 -11.6827 -11.6827 -7.4339 -7.4339 -7.4238 -7.4238 -7.4215 -7.4214 -4.8703 -4.8702 -4.2771 -4.2768 -4.2605 -4.2599 -4.1693 -4.1692 -3.7371 -3.7357 -3.6123 -3.6084 -3.5616 -3.5597 -3.4921 -3.4891 -3.4780 -3.4746 -3.0568 -3.0547 -3.0477 -3.0473 -3.0438 -3.0420 4.0901 4.0934 4.1201 4.1208 4.1384 4.1414 4.2261 4.2263 k = 0.3780 0.5000 0.3780 ( 19626 PWs) bands (ev): -43.0926 -43.0926 -17.7287 -17.7287 -17.6218 -17.6218 -17.6179 -17.6179 -17.6143 -17.6143 -11.6819 -11.6819 -7.4338 -7.4337 -7.4214 -7.4214 -7.4186 -7.4185 -4.8628 -4.8626 -4.2973 -4.2973 -4.2768 -4.2764 -4.1713 -4.1711 -3.7470 -3.7455 -3.6064 -3.6027 -3.5395 -3.5375 -3.4905 -3.4873 -3.4655 -3.4622 -3.0601 -3.0579 -3.0496 -3.0495 -3.0444 -3.0429 4.0751 4.0781 4.1143 4.1150 4.1327 4.1353 4.2377 4.2383 k = 0.3659 0.5000 0.3659 ( 19634 PWs) bands (ev): -43.0926 -43.0926 -17.7296 -17.7296 -17.6225 -17.6225 -17.6175 -17.6175 -17.6134 -17.6134 -11.6810 -11.6810 -7.4336 -7.4335 -7.4188 -7.4188 -7.4155 -7.4154 -4.8549 -4.8547 -4.3179 -4.3175 -4.2929 -4.2928 -4.1734 -4.1732 -3.7570 -3.7555 -3.6025 -3.5991 -3.5171 -3.5150 -3.4896 -3.4861 -3.4507 -3.4477 -3.0639 -3.0616 -3.0522 -3.0516 -3.0446 -3.0434 4.0589 4.0617 4.1079 4.1087 4.1265 4.1289 4.2500 4.2508 k = 0.3537 0.5000 0.3537 ( 19638 PWs) bands (ev): -43.0926 -43.0926 -17.7307 -17.7307 -17.6233 -17.6233 -17.6170 -17.6170 -17.6124 -17.6124 -11.6801 -11.6801 -7.4333 -7.4332 -7.4160 -7.4160 -7.4122 -7.4121 -4.8467 -4.8464 -4.3382 -4.3375 -4.3087 -4.3086 -4.1757 -4.1755 -3.7672 -3.7656 -3.6002 -3.5971 -3.4949 -3.4927 -3.4893 -3.4855 -3.4339 -3.4313 -3.0681 -3.0657 -3.0551 -3.0540 -3.0444 -3.0435 4.0419 4.0445 4.1011 4.1019 4.1198 4.1220 4.2629 4.2639 k = 0.3415 0.5000 0.3415 ( 19646 PWs) bands (ev): -43.0926 -43.0926 -17.7318 -17.7318 -17.6241 -17.6241 -17.6164 -17.6164 -17.6114 -17.6114 -11.6791 -11.6791 -7.4331 -7.4330 -7.4131 -7.4131 -7.4088 -7.4087 -4.8385 -4.8381 -4.3580 -4.3569 -4.3241 -4.3238 -4.1782 -4.1780 -3.7775 -3.7759 -3.5994 -3.5966 -3.4899 -3.4863 -3.4728 -3.4702 -3.4154 -3.4132 -3.0727 -3.0703 -3.0585 -3.0569 -3.0438 -3.0430 4.0241 4.0266 4.0938 4.0946 4.1128 4.1147 4.2765 4.2776 k = 0.3293 0.5000 0.3293 ( 19642 PWs) bands (ev): -43.0926 -43.0926 -17.7331 -17.7331 -17.6250 -17.6249 -17.6157 -17.6156 -17.6104 -17.6104 -11.6781 -11.6781 -7.4328 -7.4327 -7.4100 -7.4099 -7.4052 -7.4051 -4.8305 -4.8299 -4.3768 -4.3753 -4.3388 -4.3382 -4.1808 -4.1806 -3.7878 -3.7862 -3.5998 -3.5973 -3.4911 -3.4873 -3.4518 -3.4489 -3.3954 -3.3937 -3.0777 -3.0753 -3.0622 -3.0603 -3.0427 -3.0419 4.0058 4.0082 4.0859 4.0868 4.1053 4.1071 4.2907 4.2918 k = 0.3171 0.5000 0.3171 ( 19654 PWs) bands (ev): -43.0926 -43.0926 -17.7344 -17.7344 -17.6259 -17.6259 -17.6148 -17.6148 -17.6093 -17.6093 -11.6772 -11.6772 -7.4325 -7.4324 -7.4067 -7.4067 -7.4015 -7.4014 -4.8228 -4.8221 -4.3944 -4.3926 -4.3526 -4.3518 -4.1835 -4.1833 -3.7981 -3.7965 -3.6011 -3.5990 -3.4930 -3.4891 -3.4317 -3.4285 -3.3743 -3.3730 -3.0830 -3.0807 -3.0663 -3.0642 -3.0411 -3.0404 3.9871 3.9895 4.0776 4.0785 4.0976 4.0992 4.3053 4.3064 k = 0.3049 0.5000 0.3049 ( 19654 PWs) bands (ev): -43.0926 -43.0926 -17.7359 -17.7359 -17.6269 -17.6268 -17.6139 -17.6139 -17.6082 -17.6082 -11.6762 -11.6762 -7.4321 -7.4320 -7.4034 -7.4033 -7.3978 -7.3976 -4.8158 -4.8150 -4.4105 -4.4082 -4.3655 -4.3644 -4.1863 -4.1861 -3.8084 -3.8067 -3.6033 -3.6014 -3.4955 -3.4915 -3.4128 -3.4094 -3.3521 -3.3513 -3.0887 -3.0865 -3.0709 -3.0686 -3.0391 -3.0384 3.9683 3.9706 4.0689 4.0697 4.0895 4.0910 4.3203 4.3215 k = 0.2927 0.5000 0.2927 ( 19660 PWs) bands (ev): -43.0926 -43.0926 -17.7375 -17.7375 -17.6279 -17.6279 -17.6128 -17.6128 -17.6070 -17.6070 -11.6752 -11.6752 -7.4317 -7.4316 -7.3999 -7.3999 -7.3940 -7.3938 -4.8098 -4.8088 -4.4247 -4.4219 -4.3772 -4.3759 -4.1893 -4.1890 -3.8186 -3.8169 -3.6061 -3.6044 -3.4985 -3.4944 -3.3951 -3.3916 -3.3293 -3.3288 -3.0947 -3.0925 -3.0759 -3.0734 -3.0367 -3.0359 3.9495 3.9517 4.0597 4.0605 4.0812 4.0826 4.3355 4.3368 k = 0.2805 0.5000 0.2805 ( 19632 PWs) bands (ev): -43.0926 -43.0926 -17.7391 -17.7391 -17.6289 -17.6289 -17.6117 -17.6117 -17.6058 -17.6058 -11.6742 -11.6742 -7.4313 -7.4311 -7.3964 -7.3964 -7.3902 -7.3900 -4.8051 -4.8039 -4.4367 -4.4335 -4.3878 -4.3861 -4.1923 -4.1920 -3.8287 -3.8270 -3.6095 -3.6081 -3.5019 -3.4978 -3.3785 -3.3750 -3.3061 -3.3058 -3.1011 -3.0989 -3.0813 -3.0787 -3.0338 -3.0330 3.9309 3.9331 4.0501 4.0509 4.0727 4.0741 4.3503 4.3516 k = 0.2683 0.5000 0.2683 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7409 -17.7409 -17.6300 -17.6300 -17.6105 -17.6105 -17.6046 -17.6046 -11.6732 -11.6732 -7.4308 -7.4307 -7.3928 -7.3928 -7.3863 -7.3862 -4.8020 -4.8006 -4.4463 -4.4427 -4.3969 -4.3950 -4.1954 -4.1951 -3.8387 -3.8370 -3.6134 -3.6121 -3.5056 -3.5015 -3.3632 -3.3596 -3.2827 -3.2825 -3.1077 -3.1056 -3.0872 -3.0844 -3.0306 -3.0298 3.9128 3.9149 4.0401 4.0410 4.0641 4.0654 4.3600 4.3611 k = 0.2561 0.5000 0.2561 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7427 -17.7427 -17.6311 -17.6311 -17.6092 -17.6092 -17.6033 -17.6033 -11.6723 -11.6723 -7.4303 -7.4301 -7.3892 -7.3892 -7.3826 -7.3824 -4.8008 -4.7992 -4.4535 -4.4495 -4.4045 -4.4024 -4.1985 -4.1982 -3.8486 -3.8470 -3.6178 -3.6167 -3.5095 -3.5054 -3.3490 -3.3454 -3.2593 -3.2592 -3.1146 -3.1125 -3.0934 -3.0906 -3.0272 -3.0263 3.8952 3.8973 4.0298 4.0307 4.0555 4.0567 4.3640 4.3652 k = 0.2439 0.5000 0.2439 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7445 -17.7445 -17.6322 -17.6322 -17.6078 -17.6078 -17.6021 -17.6021 -11.6714 -11.6714 -7.4297 -7.4296 -7.3856 -7.3855 -7.3789 -7.3787 -4.8014 -4.7998 -4.4583 -4.4540 -4.4102 -4.4080 -4.2016 -4.2013 -3.8584 -3.8568 -3.6225 -3.6216 -3.5135 -3.5095 -3.3360 -3.3324 -3.2361 -3.2361 -3.1218 -3.1197 -3.1001 -3.0971 -3.0234 -3.0226 3.8785 3.8805 4.0193 4.0202 4.0468 4.0479 4.3644 4.3657 k = 0.2317 0.5000 0.2317 ( 19614 PWs) bands (ev): -43.0926 -43.0926 -17.7464 -17.7464 -17.6334 -17.6333 -17.6064 -17.6063 -17.6009 -17.6009 -11.6705 -11.6705 -7.4291 -7.4290 -7.3819 -7.3819 -7.3752 -7.3751 -4.8041 -4.8023 -4.4611 -4.4567 -4.4135 -4.4113 -4.2047 -4.2045 -3.8681 -3.8665 -3.6277 -3.6268 -3.5175 -3.5135 -3.3240 -3.3204 -3.2134 -3.2133 -3.1291 -3.1271 -3.1070 -3.1040 -3.0195 -3.0187 3.8627 3.8647 4.0087 4.0095 4.0381 4.0392 4.3612 4.3626 k = 0.2195 0.5000 0.2195 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7483 -17.7483 -17.6345 -17.6345 -17.6049 -17.6049 -17.5997 -17.5997 -11.6697 -11.6697 -7.4285 -7.4283 -7.3784 -7.3783 -7.3717 -7.3715 -4.8085 -4.8067 -4.4625 -4.4583 -4.4141 -4.4122 -4.2078 -4.2076 -3.8776 -3.8760 -3.6332 -3.6324 -3.5214 -3.5174 -3.3131 -3.3096 -3.1911 -3.1910 -3.1366 -3.1347 -3.1143 -3.1113 -3.0155 -3.0146 3.8480 3.8500 3.9979 3.9987 4.0295 4.0306 4.3543 4.3558 k = 0.2073 0.5000 0.2073 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7502 -17.7502 -17.6356 -17.6356 -17.6034 -17.6034 -17.5985 -17.5985 -11.6689 -11.6689 -7.4278 -7.4276 -7.3748 -7.3748 -7.3683 -7.3681 -4.8146 -4.8128 -4.4631 -4.4594 -4.4115 -4.4101 -4.2109 -4.2106 -3.8869 -3.8854 -3.6390 -3.6383 -3.5250 -3.5211 -3.3032 -3.2998 -3.1695 -3.1694 -3.1442 -3.1423 -3.1219 -3.1188 -3.0113 -3.0105 3.8347 3.8367 3.9871 3.9879 4.0210 4.0220 4.3438 4.3453 k = 0.1951 0.5000 0.1951 ( 19594 PWs) bands (ev): -43.0926 -43.0926 -17.7521 -17.7521 -17.6367 -17.6367 -17.6019 -17.6019 -17.5973 -17.5973 -11.6681 -11.6681 -7.4271 -7.4269 -7.3713 -7.3713 -7.3651 -7.3649 -4.8219 -4.8201 -4.4635 -4.4605 -4.4056 -4.4049 -4.2139 -4.2136 -3.8961 -3.8946 -3.6452 -3.6445 -3.5284 -3.5246 -3.2943 -3.2909 -3.1530 -3.1516 -3.1476 -3.1470 -3.1296 -3.1265 -3.0072 -3.0064 3.8227 3.8248 3.9763 3.9771 4.0127 4.0137 4.3297 4.3312 k = 0.1829 0.5000 0.1829 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7540 -17.7540 -17.6378 -17.6377 -17.6004 -17.6004 -17.5962 -17.5962 -11.6675 -11.6675 -7.4264 -7.4262 -7.3680 -7.3679 -7.3620 -7.3618 -4.8302 -4.8285 -4.4639 -4.4615 -4.3970 -4.3970 -4.2168 -4.2165 -3.9050 -3.9035 -3.6516 -3.6510 -3.5313 -3.5277 -3.2863 -3.2831 -3.1601 -3.1584 -3.1376 -3.1347 -3.1280 -3.1276 -3.0031 -3.0023 3.8124 3.8144 3.9656 3.9664 4.0046 4.0056 4.3123 4.3138 k = 0.1707 0.5000 0.1707 ( 19596 PWs) bands (ev): -43.0926 -43.0926 -17.7558 -17.7558 -17.6388 -17.6388 -17.5989 -17.5989 -17.5950 -17.5950 -11.6668 -11.6668 -7.4256 -7.4254 -7.3647 -7.3647 -7.3591 -7.3589 -4.8391 -4.8375 -4.4641 -4.4624 -4.3867 -4.3863 -4.2196 -4.2193 -3.9136 -3.9123 -3.6583 -3.6577 -3.5339 -3.5305 -3.2793 -3.2762 -3.1679 -3.1662 -3.1455 -3.1425 -3.1088 -3.1086 -2.9990 -2.9983 3.8038 3.8058 3.9552 3.9559 3.9968 3.9978 4.2919 4.2935 k = 0.1585 0.5000 0.1585 ( 19596 PWs) bands (ev): -43.0926 -43.0926 -17.7576 -17.7576 -17.6398 -17.6398 -17.5974 -17.5974 -17.5940 -17.5940 -11.6662 -11.6662 -7.4249 -7.4247 -7.3616 -7.3616 -7.3564 -7.3563 -4.8484 -4.8469 -4.4643 -4.4630 -4.3747 -4.3739 -4.2222 -4.2220 -3.9220 -3.9207 -3.6651 -3.6646 -3.5361 -3.5328 -3.2731 -3.2701 -3.1756 -3.1740 -3.1535 -3.1505 -3.0904 -3.0902 -2.9951 -2.9944 3.7970 3.7990 3.9451 3.9457 3.9893 3.9903 4.2689 4.2705 k = 0.1463 0.5000 0.1463 ( 19592 PWs) bands (ev): -43.0926 -43.0926 -17.7593 -17.7593 -17.6408 -17.6408 -17.5960 -17.5960 -17.5930 -17.5930 -11.6657 -11.6657 -7.4241 -7.4239 -7.3586 -7.3586 -7.3539 -7.3538 -4.8577 -4.8563 -4.4642 -4.4633 -4.3615 -4.3604 -4.2248 -4.2245 -3.9300 -3.9288 -3.6722 -3.6717 -3.5379 -3.5347 -3.2677 -3.2648 -3.1832 -3.1817 -3.1614 -3.1585 -3.0731 -3.0729 -2.9913 -2.9906 3.7921 3.7942 3.9353 3.9359 3.9821 3.9831 4.2437 4.2453 k = 0.1341 0.5000 0.1341 ( 19606 PWs) bands (ev): -43.0926 -43.0926 -17.7610 -17.7609 -17.6417 -17.6417 -17.5946 -17.5946 -17.5920 -17.5920 -11.6652 -11.6652 -7.4233 -7.4231 -7.3558 -7.3558 -7.3516 -7.3515 -4.8669 -4.8657 -4.4638 -4.4632 -4.3475 -4.3462 -4.2271 -4.2269 -3.9377 -3.9365 -3.6794 -3.6789 -3.5392 -3.5362 -3.2630 -3.2602 -3.1906 -3.1892 -3.1692 -3.1663 -3.0569 -3.0567 -2.9877 -2.9871 3.7893 3.7913 3.9260 3.9266 3.9753 3.9764 4.2169 4.2184 k = 0.1220 0.5000 0.1220 ( 19614 PWs) bands (ev): -43.0926 -43.0926 -17.7625 -17.7625 -17.6425 -17.6425 -17.5934 -17.5933 -17.5911 -17.5911 -11.6648 -11.6648 -7.4225 -7.4224 -7.3532 -7.3531 -7.3495 -7.3494 -4.8758 -4.8747 -4.4632 -4.4628 -4.3332 -4.3318 -4.2293 -4.2291 -3.9449 -3.9438 -3.6866 -3.6861 -3.5401 -3.5373 -3.2590 -3.2563 -3.1978 -3.1965 -3.1767 -3.1739 -3.0419 -3.0417 -2.9843 -2.9837 3.7884 3.7905 3.9172 3.9177 3.9690 3.9701 4.1888 4.1902 k = 0.1098 0.5000 0.1098 ( 19618 PWs) bands (ev): -43.0926 -43.0926 -17.7639 -17.7639 -17.6433 -17.6433 -17.5922 -17.5921 -17.5903 -17.5903 -11.6644 -11.6644 -7.4218 -7.4216 -7.3507 -7.3507 -7.3476 -7.3475 -4.8842 -4.8832 -4.4623 -4.4621 -4.3189 -4.3174 -4.2313 -4.2311 -3.9516 -3.9506 -3.6937 -3.6933 -3.5406 -3.5381 -3.2555 -3.2529 -3.2046 -3.2034 -3.1839 -3.1812 -3.0281 -3.0279 -2.9812 -2.9807 3.7897 3.7919 3.9091 3.9095 3.9631 3.9642 4.1599 4.1612 k = 0.0976 0.5000 0.0976 ( 19628 PWs) bands (ev): -43.0926 -43.0926 -17.7652 -17.7652 -17.6440 -17.6440 -17.5910 -17.5910 -17.5896 -17.5896 -11.6641 -11.6641 -7.4211 -7.4210 -7.3485 -7.3485 -7.3460 -7.3459 -4.8920 -4.8911 -4.4613 -4.4612 -4.3049 -4.3034 -4.2331 -4.2329 -3.9577 -3.9569 -3.7008 -3.7003 -3.5409 -3.5386 -3.2524 -3.2500 -3.2110 -3.2099 -3.1907 -3.1882 -3.0155 -3.0154 -2.9783 -2.9778 3.7931 3.7953 3.9016 3.9019 3.9577 3.9589 4.1306 4.1319 k = 0.0854 0.5000 0.0854 ( 19622 PWs) bands (ev): -43.0926 -43.0926 -17.7664 -17.7664 -17.6447 -17.6447 -17.5900 -17.5900 -17.5889 -17.5889 -11.6638 -11.6638 -7.4204 -7.4203 -7.3465 -7.3465 -7.3445 -7.3444 -4.8991 -4.8983 -4.4602 -4.4602 -4.2916 -4.2902 -4.2347 -4.2345 -3.9633 -3.9626 -3.7075 -3.7071 -3.5408 -3.5388 -3.2498 -3.2475 -3.2169 -3.2160 -3.1971 -3.1947 -3.0044 -3.0043 -2.9757 -2.9753 3.7986 3.8009 3.8949 3.8951 3.9527 3.9541 4.1015 4.1026 k = 0.0732 0.5000 0.0732 ( 19634 PWs) bands (ev): -43.0926 -43.0926 -17.7674 -17.7674 -17.6452 -17.6452 -17.5892 -17.5892 -17.5883 -17.5883 -11.6636 -11.6636 -7.4198 -7.4197 -7.3448 -7.3448 -7.3433 -7.3432 -4.9054 -4.9047 -4.4591 -4.4590 -4.2792 -4.2779 -4.2361 -4.2360 -3.9683 -3.9676 -3.7138 -3.7134 -3.5406 -3.5388 -3.2475 -3.2454 -3.2222 -3.2214 -3.2030 -3.2007 -2.9946 -2.9945 -2.9734 -2.9731 3.8062 3.8085 3.8889 3.8891 3.9482 3.9497 4.0729 4.0738 k = 0.0610 0.5000 0.0610 ( 19646 PWs) bands (ev): -43.0926 -43.0926 -17.7683 -17.7683 -17.6457 -17.6457 -17.5884 -17.5884 -17.5878 -17.5878 -11.6634 -11.6634 -7.4193 -7.4192 -7.3433 -7.3433 -7.3422 -7.3421 -4.9108 -4.9103 -4.4580 -4.4579 -4.2682 -4.2670 -4.2372 -4.2371 -3.9725 -3.9720 -3.7196 -3.7192 -3.5402 -3.5387 -3.2454 -3.2435 -3.2269 -3.2262 -3.2083 -3.2061 -2.9863 -2.9862 -2.9715 -2.9712 3.8157 3.8181 3.8838 3.8838 3.9442 3.9459 4.0452 4.0459 k = 0.0488 0.5000 0.0488 ( 19654 PWs) bands (ev): -43.0926 -43.0926 -17.7690 -17.7690 -17.6461 -17.6461 -17.5878 -17.5878 -17.5874 -17.5874 -11.6632 -11.6632 -7.4189 -7.4188 -7.3421 -7.3421 -7.3414 -7.3413 -4.9153 -4.9149 -4.4570 -4.4569 -4.2587 -4.2576 -4.2381 -4.2381 -3.9760 -3.9756 -3.7246 -3.7243 -3.5398 -3.5385 -3.2435 -3.2418 -3.2307 -3.2303 -3.2130 -3.2110 -2.9794 -2.9793 -2.9698 -2.9696 3.8270 3.8295 3.8795 3.8796 3.9405 3.9425 4.0191 4.0195 k = 0.0366 0.5000 0.0366 ( 19628 PWs) bands (ev): -43.0926 -43.0926 -17.7696 -17.7696 -17.6465 -17.6465 -17.5873 -17.5873 -17.5870 -17.5870 -11.6631 -11.6631 -7.4185 -7.4184 -7.3411 -7.3411 -7.3407 -7.3406 -4.9188 -4.9185 -4.4562 -4.4561 -4.2510 -4.2502 -4.2388 -4.2387 -3.9788 -3.9785 -3.7287 -3.7284 -3.5393 -3.5384 -3.2417 -3.2404 -3.2337 -3.2336 -3.2169 -3.2151 -2.9741 -2.9740 -2.9685 -2.9683 3.8397 3.8423 3.8761 3.8764 3.9367 3.9391 3.9955 3.9956 k = 0.0244 0.5000 0.0244 ( 19616 PWs) bands (ev): -43.0926 -43.0926 -17.7700 -17.7700 -17.6467 -17.6467 -17.5869 -17.5869 -17.5868 -17.5868 -11.6630 -11.6630 -7.4182 -7.4182 -7.3404 -7.3404 -7.3402 -7.3402 -4.9214 -4.9212 -4.4555 -4.4555 -4.2456 -4.2450 -4.2390 -4.2389 -3.9808 -3.9806 -3.7317 -3.7316 -3.5389 -3.5383 -3.2402 -3.2394 -3.2359 -3.2357 -3.2199 -3.2185 -2.9704 -2.9703 -2.9674 -2.9673 3.8528 3.8555 3.8736 3.8743 3.9324 3.9352 3.9755 3.9761 k = 0.0122 0.5000 0.0122 ( 19604 PWs) bands (ev): -43.0926 -43.0926 -17.7703 -17.7703 -17.6468 -17.6468 -17.5867 -17.5867 -17.5867 -17.5867 -11.6629 -11.6629 -7.4181 -7.4180 -7.3400 -7.3400 -7.3399 -7.3399 -4.9229 -4.9228 -4.4551 -4.4551 -4.2427 -4.2424 -4.2386 -4.2385 -3.9820 -3.9819 -3.7336 -3.7335 -3.5386 -3.5382 -3.2391 -3.2390 -3.2371 -3.2366 -3.2217 -3.2209 -2.9684 -2.9684 -2.9665 -2.9664 3.8641 3.8666 3.8726 3.8736 3.9274 3.9297 3.9626 3.9634 k = 0.0000 0.5000-0.0000 ( 19562 PWs) bands (ev): -43.0925 -43.0925 -17.7703 -17.7703 -17.6469 -17.6469 -17.5866 -17.5866 -17.5866 -17.5866 -11.6629 -11.6629 -7.4180 -7.4180 -7.3399 -7.3399 -7.3398 -7.3398 -4.9233 -4.9233 -4.4550 -4.4550 -4.2419 -4.2419 -4.2381 -4.2381 -3.9823 -3.9823 -3.7342 -3.7342 -3.5383 -3.5383 -3.2390 -3.2390 -3.2370 -3.2370 -3.2221 -3.2221 -2.9679 -2.9679 -2.9660 -2.9660 3.8689 3.8689 3.8743 3.8743 3.9253 3.9253 3.9588 3.9588 k = 0.5000 0.5000-0.0000 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7355 -17.7355 -17.6201 -17.6201 -17.6200 -17.6200 -17.6116 -17.6116 -11.6688 -11.6688 -7.4437 -7.4437 -7.3741 -7.3741 -7.3740 -7.3740 -4.6526 -4.6526 -4.5279 -4.5279 -4.5237 -4.5237 -4.3281 -4.3281 -3.8612 -3.8612 -3.4818 -3.4818 -3.4357 -3.4357 -3.2647 -3.2647 -3.2595 -3.2595 -3.1275 -3.1275 -3.1270 -3.1270 -3.0896 -3.0896 3.9299 3.9299 4.0535 4.0535 4.2102 4.2102 4.2165 4.2165 k = 0.5000 0.5000 0.0172 ( 19616 PWs) bands (ev): -43.0926 -43.0926 -17.7354 -17.7354 -17.6201 -17.6201 -17.6200 -17.6200 -17.6116 -17.6116 -11.6689 -11.6689 -7.4436 -7.4436 -7.3743 -7.3743 -7.3741 -7.3741 -4.6541 -4.6541 -4.5271 -4.5271 -4.5229 -4.5229 -4.3267 -4.3267 -3.8610 -3.8610 -3.4819 -3.4819 -3.4358 -3.4358 -3.2662 -3.2662 -3.2609 -3.2609 -3.1269 -3.1269 -3.1261 -3.1261 -3.0895 -3.0895 3.9304 3.9304 4.0540 4.0540 4.2100 4.2100 4.2163 4.2163 k = 0.5000 0.5000 0.0345 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7354 -17.7354 -17.6200 -17.6200 -17.6200 -17.6200 -17.6117 -17.6117 -11.6690 -11.6690 -7.4436 -7.4436 -7.3749 -7.3749 -7.3747 -7.3747 -4.6584 -4.6584 -4.5248 -4.5248 -4.5206 -4.5206 -4.3224 -4.3224 -3.8606 -3.8606 -3.4822 -3.4822 -3.4361 -3.4361 -3.2704 -3.2704 -3.2652 -3.2652 -3.1250 -3.1250 -3.1236 -3.1236 -3.0890 -3.0890 3.9319 3.9319 4.0553 4.0553 4.2095 4.2095 4.2158 4.2158 k = 0.5000 0.5000 0.0517 ( 19604 PWs) bands (ev): -43.0926 -43.0926 -17.7352 -17.7352 -17.6200 -17.6200 -17.6200 -17.6200 -17.6118 -17.6118 -11.6693 -11.6693 -7.4434 -7.4434 -7.3758 -7.3758 -7.3756 -7.3756 -4.6653 -4.6653 -4.5209 -4.5209 -4.5167 -4.5167 -4.3157 -4.3157 -3.8598 -3.8598 -3.4827 -3.4827 -3.4365 -3.4365 -3.2771 -3.2771 -3.2719 -3.2719 -3.1219 -3.1219 -3.1199 -3.1199 -3.0882 -3.0882 3.9343 3.9343 4.0574 4.0574 4.2086 4.2086 4.2150 4.2150 k = 0.5000 0.5000 0.0690 ( 19616 PWs) bands (ev): -43.0926 -43.0926 -17.7350 -17.7350 -17.6200 -17.6200 -17.6200 -17.6200 -17.6119 -17.6119 -11.6697 -11.6697 -7.4432 -7.4432 -7.3770 -7.3770 -7.3769 -7.3769 -4.6743 -4.6743 -4.5155 -4.5155 -4.5113 -4.5113 -4.3069 -4.3069 -3.8586 -3.8586 -3.4834 -3.4834 -3.4371 -3.4371 -3.2861 -3.2861 -3.2808 -3.2808 -3.1179 -3.1179 -3.1154 -3.1154 -3.0871 -3.0871 3.9377 3.9377 4.0604 4.0604 4.2074 4.2074 4.2138 4.2138 k = 0.5000 0.5000 0.0862 ( 19620 PWs) bands (ev): -43.0926 -43.0926 -17.7348 -17.7348 -17.6200 -17.6200 -17.6200 -17.6200 -17.6121 -17.6121 -11.6701 -11.6701 -7.4430 -7.4430 -7.3786 -7.3786 -7.3784 -7.3784 -4.6850 -4.6850 -4.5087 -4.5087 -4.5045 -4.5045 -4.2965 -4.2965 -3.8570 -3.8570 -3.4842 -3.4842 -3.4379 -3.4379 -3.2969 -3.2969 -3.2917 -3.2917 -3.1133 -3.1133 -3.1104 -3.1104 -3.0857 -3.0857 3.9420 3.9420 4.0642 4.0642 4.2060 4.2060 4.2124 4.2124 k = 0.5000 0.5000 0.1034 ( 19636 PWs) bands (ev): -43.0926 -43.0926 -17.7345 -17.7345 -17.6199 -17.6199 -17.6199 -17.6199 -17.6123 -17.6123 -11.6706 -11.6706 -7.4427 -7.4427 -7.3805 -7.3805 -7.3803 -7.3803 -4.6971 -4.6971 -4.5004 -4.5004 -4.4961 -4.4961 -4.2850 -4.2850 -3.8549 -3.8549 -3.4852 -3.4852 -3.4389 -3.4389 -3.3093 -3.3093 -3.3041 -3.3041 -3.1083 -3.1083 -3.1051 -3.1051 -3.0840 -3.0840 3.9473 3.9473 4.0686 4.0686 4.2042 4.2042 4.2107 4.2107 k = 0.5000 0.5000 0.1207 ( 19620 PWs) bands (ev): -43.0926 -43.0926 -17.7341 -17.7341 -17.6199 -17.6199 -17.6199 -17.6199 -17.6125 -17.6125 -11.6713 -11.6713 -7.4424 -7.4424 -7.3827 -7.3827 -7.3825 -7.3825 -4.7101 -4.7101 -4.4907 -4.4907 -4.4864 -4.4864 -4.2729 -4.2729 -3.8522 -3.8522 -3.4863 -3.4863 -3.4402 -3.4402 -3.3231 -3.3231 -3.3180 -3.3180 -3.1031 -3.1031 -3.0997 -3.0997 -3.0820 -3.0820 3.9534 3.9534 4.0738 4.0738 4.2022 4.2022 4.2088 4.2088 k = 0.5000 0.5000 0.1379 ( 19644 PWs) bands (ev): -43.0926 -43.0926 -17.7337 -17.7337 -17.6198 -17.6198 -17.6198 -17.6198 -17.6128 -17.6128 -11.6720 -11.6720 -7.4420 -7.4420 -7.3851 -7.3851 -7.3849 -7.3849 -4.7237 -4.7237 -4.4796 -4.4796 -4.4754 -4.4754 -4.2605 -4.2605 -3.8488 -3.8488 -3.4875 -3.4875 -3.4416 -3.4416 -3.3381 -3.3381 -3.3330 -3.3330 -3.0980 -3.0980 -3.0944 -3.0944 -3.0798 -3.0798 3.9604 3.9604 4.0795 4.0795 4.2001 4.2001 4.2067 4.2067 k = 0.5000 0.5000 0.1552 ( 19620 PWs) bands (ev): -43.0926 -43.0926 -17.7333 -17.7333 -17.6198 -17.6198 -17.6198 -17.6198 -17.6131 -17.6131 -11.6727 -11.6727 -7.4416 -7.4416 -7.3878 -7.3878 -7.3876 -7.3876 -4.7376 -4.7376 -4.4673 -4.4673 -4.4630 -4.4630 -4.2482 -4.2482 -3.8448 -3.8448 -3.4889 -3.4889 -3.4433 -3.4433 -3.3542 -3.3542 -3.3491 -3.3491 -3.0929 -3.0929 -3.0892 -3.0892 -3.0774 -3.0774 3.9681 3.9681 4.0857 4.0857 4.1978 4.1978 4.2044 4.2044 k = 0.5000 0.5000 0.1724 ( 19628 PWs) bands (ev): -43.0926 -43.0926 -17.7328 -17.7328 -17.6197 -17.6197 -17.6197 -17.6197 -17.6134 -17.6134 -11.6736 -11.6736 -7.4412 -7.4412 -7.3906 -7.3906 -7.3905 -7.3905 -4.7516 -4.7516 -4.4537 -4.4537 -4.4494 -4.4494 -4.2364 -4.2364 -3.8399 -3.8399 -3.4903 -3.4903 -3.4452 -3.4452 -3.3712 -3.3712 -3.3662 -3.3662 -3.0881 -3.0881 -3.0842 -3.0842 -3.0748 -3.0748 3.9766 3.9766 4.0923 4.0923 4.1953 4.1953 4.2020 4.2020 k = 0.5000 0.5000 0.1897 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7323 -17.7323 -17.6196 -17.6196 -17.6196 -17.6196 -17.6137 -17.6137 -11.6744 -11.6744 -7.4407 -7.4407 -7.3937 -7.3937 -7.3935 -7.3935 -4.7655 -4.7655 -4.4390 -4.4390 -4.4347 -4.4347 -4.2252 -4.2252 -3.8341 -3.8341 -3.4918 -3.4918 -3.4474 -3.4474 -3.3890 -3.3890 -3.3841 -3.3841 -3.0835 -3.0835 -3.0794 -3.0794 -3.0719 -3.0719 3.9858 3.9858 4.0993 4.0993 4.1928 4.1928 4.1996 4.1996 k = 0.5000 0.5000 0.2069 ( 19632 PWs) bands (ev): -43.0926 -43.0926 -17.7317 -17.7317 -17.6196 -17.6196 -17.6196 -17.6196 -17.6141 -17.6141 -11.6754 -11.6754 -7.4403 -7.4403 -7.3968 -7.3968 -7.3966 -7.3966 -4.7792 -4.7792 -4.4233 -4.4233 -4.4190 -4.4190 -4.2148 -4.2148 -3.8274 -3.8274 -3.4934 -3.4934 -3.4498 -3.4498 -3.4075 -3.4075 -3.4027 -3.4027 -3.0791 -3.0791 -3.0749 -3.0749 -3.0690 -3.0690 3.9956 3.9956 4.1064 4.1064 4.1903 4.1903 4.1971 4.1971 k = 0.5000 0.5000 0.2241 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7312 -17.7312 -17.6195 -17.6195 -17.6195 -17.6195 -17.6144 -17.6144 -11.6763 -11.6763 -7.4398 -7.4398 -7.4000 -7.4000 -7.3998 -7.3998 -4.7925 -4.7925 -4.4066 -4.4066 -4.4023 -4.4023 -4.2054 -4.2054 -3.8198 -3.8198 -3.4950 -3.4950 -3.4526 -3.4526 -3.4267 -3.4267 -3.4220 -3.4220 -3.0751 -3.0751 -3.0707 -3.0707 -3.0659 -3.0659 4.0059 4.0059 4.1137 4.1137 4.1878 4.1878 4.1946 4.1946 k = 0.5000 0.5000 0.2414 ( 19616 PWs) bands (ev): -43.0926 -43.0926 -17.7306 -17.7306 -17.6194 -17.6194 -17.6194 -17.6194 -17.6148 -17.6148 -11.6772 -11.6772 -7.4393 -7.4393 -7.4033 -7.4033 -7.4031 -7.4031 -4.8053 -4.8053 -4.3890 -4.3890 -4.3847 -4.3847 -4.1970 -4.1970 -3.8114 -3.8114 -3.4966 -3.4966 -3.4557 -3.4557 -3.4464 -3.4464 -3.4418 -3.4418 -3.0713 -3.0713 -3.0667 -3.0667 -3.0627 -3.0627 4.0167 4.0167 4.1209 4.1209 4.1853 4.1853 4.1922 4.1922 k = 0.5000 0.5000 0.2586 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7301 -17.7301 -17.6194 -17.6194 -17.6193 -17.6193 -17.6152 -17.6152 -11.6782 -11.6782 -7.4388 -7.4388 -7.4066 -7.4066 -7.4064 -7.4064 -4.8176 -4.8176 -4.3708 -4.3708 -4.3665 -4.3665 -4.1898 -4.1898 -3.8021 -3.8021 -3.4983 -3.4983 -3.4668 -3.4668 -3.4625 -3.4625 -3.4585 -3.4585 -3.0679 -3.0679 -3.0630 -3.0630 -3.0595 -3.0595 4.0277 4.0277 4.1280 4.1280 4.1829 4.1829 4.1898 4.1898 k = 0.5000 0.5000 0.2759 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7295 -17.7295 -17.6193 -17.6193 -17.6193 -17.6193 -17.6156 -17.6156 -11.6792 -11.6792 -7.4383 -7.4383 -7.4098 -7.4098 -7.4096 -7.4096 -4.8292 -4.8292 -4.3519 -4.3519 -4.3476 -4.3476 -4.1835 -4.1835 -3.7921 -3.7921 -3.5000 -3.5000 -3.4870 -3.4870 -3.4829 -3.4829 -3.4624 -3.4624 -3.0647 -3.0647 -3.0596 -3.0596 -3.0565 -3.0565 4.0391 4.0391 4.1349 4.1349 4.1806 4.1806 4.1875 4.1875 k = 0.5000 0.5000 0.2931 ( 19608 PWs) bands (ev): -43.0926 -43.0926 -17.7289 -17.7289 -17.6192 -17.6192 -17.6192 -17.6192 -17.6160 -17.6160 -11.6801 -11.6801 -7.4378 -7.4378 -7.4130 -7.4130 -7.4128 -7.4128 -4.8401 -4.8401 -4.3327 -4.3327 -4.3284 -4.3284 -4.1783 -4.1783 -3.7816 -3.7816 -3.5086 -3.5086 -3.5037 -3.5037 -3.5006 -3.5006 -3.4663 -3.4663 -3.0617 -3.0617 -3.0564 -3.0564 -3.0535 -3.0535 4.0506 4.0506 4.1415 4.1415 4.1784 4.1784 4.1853 4.1853 k = 0.5000 0.5000 0.3103 ( 19616 PWs) bands (ev): -43.0926 -43.0926 -17.7284 -17.7284 -17.6192 -17.6192 -17.6191 -17.6191 -17.6163 -17.6163 -11.6810 -11.6810 -7.4374 -7.4374 -7.4161 -7.4161 -7.4159 -7.4159 -4.8503 -4.8503 -4.3131 -4.3131 -4.3089 -4.3089 -4.1740 -4.1740 -3.7706 -3.7706 -3.5289 -3.5289 -3.5246 -3.5246 -3.5025 -3.5025 -3.4705 -3.4705 -3.0590 -3.0590 -3.0534 -3.0534 -3.0508 -3.0508 4.0621 4.0621 4.1475 4.1475 4.1764 4.1764 4.1833 4.1833 k = 0.5000 0.5000 0.3276 ( 19608 PWs) bands (ev): -43.0926 -43.0926 -17.7278 -17.7278 -17.6191 -17.6191 -17.6191 -17.6191 -17.6167 -17.6167 -11.6819 -11.6819 -7.4369 -7.4369 -7.4190 -7.4190 -7.4188 -7.4188 -4.8598 -4.8598 -4.2935 -4.2935 -4.2893 -4.2893 -4.1705 -4.1705 -3.7593 -3.7593 -3.5495 -3.5495 -3.5454 -3.5454 -3.5039 -3.5039 -3.4749 -3.4749 -3.0565 -3.0565 -3.0507 -3.0507 -3.0483 -3.0483 4.0735 4.0735 4.1529 4.1529 4.1746 4.1746 4.1813 4.1813 k = 0.5000 0.5000 0.3448 ( 19608 PWs) bands (ev): -43.0926 -43.0926 -17.7273 -17.7273 -17.6190 -17.6190 -17.6190 -17.6190 -17.6170 -17.6170 -11.6827 -11.6827 -7.4365 -7.4365 -7.4218 -7.4218 -7.4215 -7.4215 -4.8684 -4.8684 -4.2741 -4.2741 -4.2698 -4.2698 -4.1678 -4.1678 -3.7480 -3.7480 -3.5697 -3.5697 -3.5658 -3.5658 -3.5052 -3.5052 -3.4795 -3.4795 -3.0542 -3.0542 -3.0482 -3.0482 -3.0460 -3.0460 4.0847 4.0847 4.1576 4.1576 4.1731 4.1731 4.1796 4.1796 k = 0.5000 0.5000 0.3621 ( 19616 PWs) bands (ev): -43.0926 -43.0926 -17.7268 -17.7268 -17.6190 -17.6190 -17.6190 -17.6190 -17.6174 -17.6174 -11.6835 -11.6835 -7.4361 -7.4361 -7.4243 -7.4243 -7.4241 -7.4241 -4.8761 -4.8761 -4.2550 -4.2550 -4.2509 -4.2509 -4.1657 -4.1657 -3.7368 -3.7368 -3.5894 -3.5894 -3.5857 -3.5857 -3.5064 -3.5064 -3.4842 -3.4842 -3.0522 -3.0522 -3.0459 -3.0459 -3.0440 -3.0440 4.0956 4.0956 4.1612 4.1612 4.1721 4.1721 4.1780 4.1780 k = 0.5000 0.5000 0.3793 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7264 -17.7264 -17.6189 -17.6189 -17.6189 -17.6189 -17.6177 -17.6177 -11.6842 -11.6842 -7.4358 -7.4358 -7.4266 -7.4266 -7.4264 -7.4264 -4.8830 -4.8830 -4.2367 -4.2367 -4.2326 -4.2326 -4.1641 -4.1641 -3.7261 -3.7261 -3.6081 -3.6081 -3.6047 -3.6047 -3.5075 -3.5075 -3.4890 -3.4890 -3.0503 -3.0503 -3.0438 -3.0438 -3.0422 -3.0422 4.1061 4.1061 4.1635 4.1635 4.1718 4.1718 4.1766 4.1766 k = 0.5000 0.5000 0.3966 ( 19624 PWs) bands (ev): -43.0926 -43.0926 -17.7260 -17.7260 -17.6189 -17.6189 -17.6189 -17.6189 -17.6179 -17.6179 -11.6848 -11.6848 -7.4355 -7.4355 -7.4287 -7.4287 -7.4285 -7.4285 -4.8890 -4.8890 -4.2195 -4.2195 -4.2154 -4.2154 -4.1629 -4.1629 -3.7159 -3.7159 -3.6257 -3.6257 -3.6226 -3.6226 -3.5085 -3.5085 -3.4937 -3.4937 -3.0487 -3.0487 -3.0421 -3.0421 -3.0406 -3.0406 4.1159 4.1159 4.1643 4.1643 4.1722 4.1722 4.1755 4.1755 k = 0.5000 0.5000 0.4138 ( 19596 PWs) bands (ev): -43.0926 -43.0926 -17.7257 -17.7257 -17.6188 -17.6188 -17.6188 -17.6188 -17.6182 -17.6182 -11.6853 -11.6853 -7.4352 -7.4352 -7.4305 -7.4305 -7.4303 -7.4303 -4.8941 -4.8941 -4.2038 -4.2038 -4.1998 -4.1998 -4.1620 -4.1620 -3.7066 -3.7066 -3.6417 -3.6417 -3.6389 -3.6389 -3.5093 -3.5093 -3.4982 -3.4982 -3.0474 -3.0474 -3.0405 -3.0405 -3.0393 -3.0393 4.1251 4.1251 4.1641 4.1641 4.1725 4.1725 4.1745 4.1745 k = 0.5000 0.5000 0.4310 ( 19612 PWs) bands (ev): -43.0926 -43.0926 -17.7254 -17.7254 -17.6188 -17.6188 -17.6188 -17.6188 -17.6184 -17.6184 -11.6858 -11.6858 -7.4350 -7.4350 -7.4320 -7.4320 -7.4317 -7.4317 -4.8983 -4.8983 -4.1900 -4.1900 -4.1860 -4.1860 -4.1613 -4.1613 -3.6984 -3.6984 -3.6556 -3.6556 -3.6533 -3.6533 -3.5100 -3.5100 -3.5023 -3.5023 -3.0462 -3.0462 -3.0392 -3.0392 -3.0383 -3.0383 4.1334 4.1334 4.1635 4.1635 4.1677 4.1677 4.1729 4.1729 k = 0.5000 0.5000 0.4483 ( 19628 PWs) bands (ev): -43.0926 -43.0926 -17.7252 -17.7252 -17.6188 -17.6188 -17.6188 -17.6188 -17.6185 -17.6185 -11.6861 -11.6861 -7.4348 -7.4348 -7.4331 -7.4331 -7.4329 -7.4329 -4.9016 -4.9016 -4.1786 -4.1786 -4.1746 -4.1746 -4.1608 -4.1608 -3.6916 -3.6916 -3.6671 -3.6671 -3.6651 -3.6651 -3.5105 -3.5105 -3.5059 -3.5059 -3.0454 -3.0454 -3.0382 -3.0382 -3.0375 -3.0375 4.1408 4.1408 4.1616 4.1616 4.1629 4.1629 4.1724 4.1724 k = 0.5000 0.5000 0.4655 ( 19660 PWs) bands (ev): -43.0926 -43.0926 -17.7250 -17.7250 -17.6188 -17.6188 -17.6187 -17.6187 -17.6186 -17.6186 -11.6864 -11.6864 -7.4347 -7.4347 -7.4340 -7.4340 -7.4337 -7.4337 -4.9039 -4.9039 -4.1703 -4.1703 -4.1661 -4.1661 -4.1603 -4.1603 -3.6865 -3.6865 -3.6756 -3.6756 -3.6741 -3.6741 -3.5109 -3.5109 -3.5086 -3.5086 -3.0447 -3.0447 -3.0374 -3.0374 -3.0370 -3.0370 4.1470 4.1470 4.1572 4.1572 4.1620 4.1620 4.1720 4.1720 k = 0.5000 0.5000 0.4828 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7249 -17.7249 -17.6188 -17.6188 -17.6187 -17.6187 -17.6187 -17.6187 -11.6866 -11.6866 -7.4347 -7.4347 -7.4345 -7.4345 -7.4342 -7.4342 -4.9053 -4.9053 -4.1655 -4.1655 -4.1608 -4.1608 -4.1595 -4.1595 -3.6835 -3.6835 -3.6806 -3.6806 -3.6797 -3.6797 -3.5111 -3.5111 -3.5104 -3.5104 -3.0444 -3.0444 -3.0369 -3.0369 -3.0367 -3.0367 4.1516 4.1516 4.1545 4.1545 4.1610 4.1610 4.1718 4.1718 k = 0.5000 0.5000 0.5000 ( 19640 PWs) bands (ev): -43.0926 -43.0926 -17.7249 -17.7249 -17.6188 -17.6188 -17.6187 -17.6187 -17.6187 -17.6187 -11.6866 -11.6866 -7.4347 -7.4347 -7.4347 -7.4347 -7.4343 -7.4343 -4.9058 -4.9058 -4.1642 -4.1642 -4.1590 -4.1590 -4.1590 -4.1590 -3.6831 -3.6831 -3.6817 -3.6817 -3.6817 -3.6817 -3.5111 -3.5111 -3.5111 -3.5111 -3.0442 -3.0442 -3.0367 -3.0367 -3.0367 -3.0367 4.1536 4.1536 4.1536 4.1536 4.1603 4.1603 4.1719 4.1719 Writing output data file LiBxCNx4.save init_run : 0.73s CPU 0.45s WALL ( 1 calls) electrons : 341.92s CPU 250.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 341.92s CPU 250.74s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.37s CPU 0.40s WALL ( 225 calls) cegterg : 270.18s CPU 209.00s WALL ( 337 calls) Called by sum_band: Called by *egterg: h_psi : 230.31s CPU 149.22s WALL ( 5179 calls) s_psi : 10.26s CPU 7.80s WALL ( 5179 calls) g_psi : 0.70s CPU 0.69s WALL ( 4617 calls) cdiaghg : 39.33s CPU 37.98s WALL ( 4842 calls) cegterg:over : 15.50s CPU 15.09s WALL ( 4617 calls) cegterg:upda : 16.63s CPU 15.73s WALL ( 4617 calls) cegterg:last : 7.21s CPU 7.33s WALL ( 794 calls) cdiaghg:chol : 2.20s CPU 2.22s WALL ( 4842 calls) cdiaghg:inve : 1.44s CPU 1.41s WALL ( 4842 calls) cdiaghg:para : 2.02s CPU 2.15s WALL ( 9684 calls) Called by h_psi: h_psi:vloc : 205.79s CPU 129.94s WALL ( 5179 calls) h_psi:vnl : 23.50s CPU 18.47s WALL ( 5179 calls) add_vuspsi : 10.90s CPU 8.33s WALL ( 5179 calls) General routines calbec : 12.57s CPU 10.12s WALL ( 5179 calls) fft : 0.04s CPU 0.03s WALL ( 15 calls) fftw : 194.92s CPU 121.27s WALL ( 533792 calls) davcio : 0.56s CPU 2.60s WALL ( 450 calls) Parallel routines fft_scatter : 69.52s CPU 52.35s WALL ( 533807 calls) PWSCF : 6m14.41s CPU 4m55.26s WALL This run was terminated on: 2:39:45 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=